NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | cing | stage | program | type | subtype | item_count |
|
|
368984 |
1b5k   |
cing | 3-converted-DOCR | STAR | entry | full | 24 |
data_DOCR_restraints_with_modified_coordinates_PDB_code_1b5k
# This DOCR archive file contains, for PDB entry <1b5k>:
#
# - 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, W Vranken, C Penkett, J Lin, CF Schulte, G Vuister, G Vriend,
# JL Markley, EL Ulrich. BioMagResBank database `NMR Restraints Grid` with
# curated sets of experimental NMR restraints for over 4,000 protein and nucleic
# acid PDB entries. (in preparation)
save_entry_information
_Entry.Sf_category entry_information
_Entry.Sf_framecode entry_information
_Entry.ID rr_1b5k
_Entry.Title "wwPDB remediated NMR restraints for PDB entry 1b5k"
_Entry.NMR_STAR_version 3.1
_Entry.Experimental_method NMR
_Entry.Experimental_method_subtype solution
_Entry.Details "Contains the remediated restraint lists and coordinates for PDB entry 1b5k"
save_
save_assembly
_Assembly.Sf_category assembly
_Assembly.Sf_framecode assembly
_Assembly.Entry_ID rr_1b5k
_Assembly.ID 1
_Assembly.Name 1b5k
_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 6837.31072
loop_
_Entity_assembly.ID
_Entity_assembly.Entity_assembly_name
_Entity_assembly.Entity_ID
_Entity_assembly.Entity_label
_Entity_assembly.Asym_ID
_Entity_assembly.PDB_chain_ID
_Entity_assembly.Experimental_data_reported
_Entity_assembly.Physical_state
_Entity_assembly.Conformational_isomer
_Entity_assembly.Chemical_exchange_state
_Entity_assembly.Magnetic_equivalence_group_code
_Entity_assembly.Role
_Entity_assembly.Details
_Entity_assembly.Entry_ID
_Entity_assembly.Assembly_ID
1 "DNA 5 D CP GP TP AP CP EDCP CP AP TP GP C 3" 1 $DNA__5__D__CP_GP_TP_AP_CP_EDCP_CP_AP_TP_GP_C__3__ A . no . . . . . . rr_1b5k 1
2 "DNA 5 D GP CP AP TP GP TP GP TP AP CP G 3" 2 $DNA__5__D__GP_CP_AP_TP_GP_TP_GP_TP_AP_CP_G__3__ B . no . . . . . . rr_1b5k 1
stop_
save_
save_DNA__5__D__CP_GP_TP_AP_CP_EDCP_CP_AP_TP_GP_C__3__
_Entity.Sf_category entity
_Entity.Sf_framecode DNA__5__D__CP_GP_TP_AP_CP_EDCP_CP_AP_TP_GP_C__3__
_Entity.Entry_ID rr_1b5k
_Entity.ID 1
_Entity.Name DNA__5__D__CP_GP_TP_AP_CP_EDCP_CP_AP_TP_GP_C__3__
_Entity.Type polymer
_Entity.Polymer_type polydeoxyribonucleotide
_Entity.Polymer_strand_ID A
_Entity.Polymer_seq_one_letter_code CGTACXCATGC
_Entity.Ambiguous_conformational_states no
_Entity.Ambiguous_chem_comp_sites no
_Entity.Nstd_monomer yes
_Entity.Nstd_chirality yes
_Entity.Nstd_linkage yes
_Entity.Number_of_monomers 11
_Entity.Paramagnetic no
_Entity.Thiol_state "not present"
_Entity.Parent_entity_ID 1
_Entity.Formula_weight 3393.15166
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_1b5k 1
2 . DG . rr_1b5k 1
3 . DT . rr_1b5k 1
4 . DA . rr_1b5k 1
5 . DC . rr_1b5k 1
6 . EDC . rr_1b5k 1
7 . DC . rr_1b5k 1
8 . DA . rr_1b5k 1
9 . DT . rr_1b5k 1
10 . DG . rr_1b5k 1
11 . DC . rr_1b5k 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
. DC 1 1 rr_1b5k 1
. DG 2 2 rr_1b5k 1
. DT 3 3 rr_1b5k 1
. DA 4 4 rr_1b5k 1
. DC 5 5 rr_1b5k 1
. EDC 6 6 rr_1b5k 1
. DC 7 7 rr_1b5k 1
. DA 8 8 rr_1b5k 1
. DT 9 9 rr_1b5k 1
. DG 10 10 rr_1b5k 1
. DC 11 11 rr_1b5k 1
stop_
save_
save_DNA__5__D__GP_CP_AP_TP_GP_TP_GP_TP_AP_CP_G__3__
_Entity.Sf_category entity
_Entity.Sf_framecode DNA__5__D__GP_CP_AP_TP_GP_TP_GP_TP_AP_CP_G__3__
_Entity.Entry_ID rr_1b5k
_Entity.ID 2
_Entity.Name DNA__5__D__GP_CP_AP_TP_GP_TP_GP_TP_AP_CP_G__3__
_Entity.Type polymer
_Entity.Polymer_type polydeoxyribonucleotide
_Entity.Polymer_strand_ID B
_Entity.Polymer_seq_one_letter_code GCATGTGTACG
_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 11
_Entity.Paramagnetic no
_Entity.Thiol_state "not present"
_Entity.Parent_entity_ID 2
_Entity.Formula_weight 3444.15906
loop_
_Entity_comp_index.ID
_Entity_comp_index.Auth_seq_ID
_Entity_comp_index.Comp_ID
_Entity_comp_index.Comp_label
_Entity_comp_index.Entry_ID
_Entity_comp_index.Entity_ID
1 . DG . rr_1b5k 2
2 . DC . rr_1b5k 2
3 . DA . rr_1b5k 2
4 . DT . rr_1b5k 2
5 . DG . rr_1b5k 2
6 . DT . rr_1b5k 2
7 . DG . rr_1b5k 2
8 . DT . rr_1b5k 2
9 . DA . rr_1b5k 2
10 . DC . rr_1b5k 2
11 . DG . rr_1b5k 2
stop_
loop_
_Entity_poly_seq.Hetero
_Entity_poly_seq.Mon_ID
_Entity_poly_seq.Num
_Entity_poly_seq.Comp_index_ID
_Entity_poly_seq.Entry_ID
_Entity_poly_seq.Entity_ID
. DG 1 1 rr_1b5k 2
. DC 2 2 rr_1b5k 2
. DA 3 3 rr_1b5k 2
. DT 4 4 rr_1b5k 2
. DG 5 5 rr_1b5k 2
. DT 6 6 rr_1b5k 2
. DG 7 7 rr_1b5k 2
. DT 8 8 rr_1b5k 2
. DA 9 9 rr_1b5k 2
. DC 10 10 rr_1b5k 2
. DG 11 11 rr_1b5k 2
stop_
save_
save_chem_comp_EDC
_Chem_comp.Sf_category chem_comp
_Chem_comp.Sf_framecode chem_comp_EDC
_Chem_comp.Entry_ID rr_1b5k
_Chem_comp.ID EDC
_Chem_comp.Name N3,N4-ETHENO-2'-DEOXYCYTIDINE-5'-MONOPHOSPHATE
_Chem_comp.Type non-polymer
_Chem_comp.PDB_code EDC
_Chem_comp.Formal_charge 1
_Chem_comp.Paramagnetic no
_Chem_comp.Aromatic yes
_Chem_comp.Formula "C11 H15 N3 O7 P"
_Chem_comp.Formula_weight 332.22916
save_
save_conformer_statistics
_Conformer_stat_list.Sf_category conformer_statistics
_Conformer_stat_list.Sf_framecode conformer_statistics
_Conformer_stat_list.Entry_ID rr_1b5k
_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 2
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_1b5k
_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_1b5k 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_1b5k 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 DC C1' C 6.596 1.610 30.014 . . . 1.0 . . . . . . . . . . . . A . 1 DC C1' . . . . . . . . . rr_1b5k 1
. 1 . 2 . 1 1 1 DC C2 C 5.073 -0.276 29.495 . . . 1.0 . . . . . . . . . . . . A . 1 DC C2 . . . . . . . . . rr_1b5k 1
. 1 . 3 . 1 1 1 DC C2' C 6.428 2.879 29.197 . . . 1.0 . . . . . . . . . . . . A . 1 DC C2' . . . . . . . . . rr_1b5k 1
. 1 . 4 . 1 1 1 DC C3' C 7.697 3.611 29.570 . . . 1.0 . . . . . . . . . . . . A . 1 DC C3' . . . . . . . . . rr_1b5k 1
. 1 . 5 . 1 1 1 DC C4 C 2.939 -0.397 30.455 . . . 1.0 . . . . . . . . . . . . A . 1 DC C4 . . . . . . . . . rr_1b5k 1
. 1 . 6 . 1 1 1 DC C4' C 7.718 3.362 31.083 . . . 1.0 . . . . . . . . . . . . A . 1 DC C4' . . . . . . . . . rr_1b5k 1
. 1 . 7 . 1 1 1 DC C5 C 3.151 0.823 31.173 . . . 1.0 . . . . . . . . . . . . A . 1 DC C5 . . . . . . . . . rr_1b5k 1
. 1 . 8 . 1 1 1 DC C5' C 7.013 4.449 31.905 . . . 1.0 . . . . . . . . . . . . A . 1 DC C5' . . . . . . . . . rr_1b5k 1
. 1 . 9 . 1 1 1 DC C6 C 4.340 1.436 31.005 . . . 1.0 . . . . . . . . . . . . A . 1 DC C6 . . . . . . . . . rr_1b5k 1
. 1 . 10 . 1 1 1 DC H1' H 7.323 0.975 29.508 . . . 1.0 . . . . . . . . . . . . A . 1 DC H1' . . . . . . . . . rr_1b5k 1
. 1 . 11 . 1 1 1 DC H2' H 5.574 3.425 29.599 . . . 1.0 . . . . . . . . . . . . A . 1 DC H2' . . . . . . . . . rr_1b5k 1
. 1 . 12 . 1 1 1 DC H2'' H 6.326 2.662 28.134 . . . 1.0 . . . . . . . . . . . . A . 1 DC H2'' . . . . . . . . . rr_1b5k 1
. 1 . 13 . 1 1 1 DC H3' H 7.647 4.678 29.351 . . . 1.0 . . . . . . . . . . . . A . 1 DC H3' . . . . . . . . . rr_1b5k 1
. 1 . 14 . 1 1 1 DC H4' H 8.759 3.308 31.403 . . . 1.0 . . . . . . . . . . . . A . 1 DC H4' . . . . . . . . . rr_1b5k 1
. 1 . 15 . 1 1 1 DC H41 H 1.562 -1.948 30.081 . . . 1.0 . . . . . . . . . . . . A . 1 DC H41 . . . . . . . . . rr_1b5k 1
. 1 . 16 . 1 1 1 DC H42 H 0.974 -0.722 31.197 . . . 1.0 . . . . . . . . . . . . A . 1 DC H42 . . . . . . . . . rr_1b5k 1
. 1 . 17 . 1 1 1 DC H5 H 2.388 1.241 31.828 . . . 1.0 . . . . . . . . . . . . A . 1 DC H5 . . . . . . . . . rr_1b5k 1
. 1 . 18 . 1 1 1 DC H5' H 7.100 4.193 32.961 . . . 1.0 . . . . . . . . . . . . A . 1 DC H5' . . . . . . . . . rr_1b5k 1
. 1 . 19 . 1 1 1 DC H5'' H 7.508 5.404 31.730 . . . 1.0 . . . . . . . . . . . . A . 1 DC H5'' . . . . . . . . . rr_1b5k 1
. 1 . 20 . 1 1 1 DC H6 H 4.548 2.368 31.530 . . . 1.0 . . . . . . . . . . . . A . 1 DC H6 . . . . . . . . . rr_1b5k 1
. 1 . 21 . 1 1 1 DC HO5' H 5.281 5.316 32.091 . . . 1.0 . . . . . . . . . . . . A . 1 DC HO5' . . . . . . . . . rr_1b5k 1
. 1 . 22 . 1 1 1 DC N1 N 5.296 0.911 30.184 . . . 1.0 . . . . . . . . . . . . A . 1 DC N1 . . . . . . . . . rr_1b5k 1
. 1 . 23 . 1 1 1 DC N3 N 3.881 -0.907 29.652 . . . 1.0 . . . . . . . . . . . . A . 1 DC N3 . . . . . . . . . rr_1b5k 1
. 1 . 24 . 1 1 1 DC N4 N 1.697 -1.090 30.595 . . . 1.0 . . . . . . . . . . . . A . 1 DC N4 . . . . . . . . . rr_1b5k 1
. 1 . 25 . 1 1 1 DC O2 O 5.924 -0.759 28.757 . . . 1.0 . . . . . . . . . . . . A . 1 DC O2 . . . . . . . . . rr_1b5k 1
. 1 . 26 . 1 1 1 DC O3' O 8.880 3.087 28.944 . . . 1.0 . . . . . . . . . . . . A . 1 DC O3' . . . . . . . . . rr_1b5k 1
. 1 . 27 . 1 1 1 DC O4' O 7.115 2.065 31.280 . . . 1.0 . . . . . . . . . . . . A . 1 DC O4' . . . . . . . . . rr_1b5k 1
. 1 . 28 . 1 1 1 DC O5' O 5.623 4.577 31.583 . . . 1.0 . . . . . . . . . . . . A . 1 DC O5' . . . . . . . . . rr_1b5k 1
. 1 . 29 . 1 1 2 DG C1' C 6.756 -0.899 25.138 . . . 1.0 . . . . . . . . . . . . A . 2 DG C1' . . . . . . . . . rr_1b5k 1
. 1 . 30 . 1 1 2 DG C2 C 3.206 -3.226 24.367 . . . 1.0 . . . . . . . . . . . . A . 2 DG C2 . . . . . . . . . rr_1b5k 1
. 1 . 31 . 1 1 2 DG C2' C 7.515 0.076 24.267 . . . 1.0 . . . . . . . . . . . . A . 2 DG C2' . . . . . . . . . rr_1b5k 1
. 1 . 32 . 1 1 2 DG C3' C 8.928 -0.360 24.612 . . . 1.0 . . . . . . . . . . . . A . 2 DG C3' . . . . . . . . . rr_1b5k 1
. 1 . 33 . 1 1 2 DG C4 C 4.277 -1.383 24.992 . . . 1.0 . . . . . . . . . . . . A . 2 DG C4 . . . . . . . . . rr_1b5k 1
. 1 . 34 . 1 1 2 DG C4' C 8.820 -0.513 26.134 . . . 1.0 . . . . . . . . . . . . A . 2 DG C4' . . . . . . . . . rr_1b5k 1
. 1 . 35 . 1 1 2 DG C5 C 3.130 -0.675 25.257 . . . 1.0 . . . . . . . . . . . . A . 2 DG C5 . . . . . . . . . rr_1b5k 1
. 1 . 36 . 1 1 2 DG C5' C 9.375 0.656 26.953 . . . 1.0 . . . . . . . . . . . . A . 2 DG C5' . . . . . . . . . rr_1b5k 1
. 1 . 37 . 1 1 2 DG C6 C 1.867 -1.301 25.060 . . . 1.0 . . . . . . . . . . . . A . 2 DG C6 . . . . . . . . . rr_1b5k 1
. 1 . 38 . 1 1 2 DG C8 C 4.743 0.603 25.674 . . . 1.0 . . . . . . . . . . . . A . 2 DG C8 . . . . . . . . . rr_1b5k 1
. 1 . 39 . 1 1 2 DG H1 H 1.135 -3.090 24.450 . . . 1.0 . . . . . . . . . . . . A . 2 DG H1 . . . . . . . . . rr_1b5k 1
. 1 . 40 . 1 1 2 DG H1' H 6.869 -1.910 24.747 . . . 1.0 . . . . . . . . . . . . A . 2 DG H1' . . . . . . . . . rr_1b5k 1
. 1 . 41 . 1 1 2 DG H2' H 7.307 1.074 24.654 . . . 1.0 . . . . . . . . . . . . A . 2 DG H2' . . . . . . . . . rr_1b5k 1
. 1 . 42 . 1 1 2 DG H2'' H 7.261 -0.002 23.210 . . . 1.0 . . . . . . . . . . . . A . 2 DG H2'' . . . . . . . . . rr_1b5k 1
. 1 . 43 . 1 1 2 DG H21 H 2.315 -5.072 23.826 . . . 1.0 . . . . . . . . . . . . A . 2 DG H21 . . . . . . . . . rr_1b5k 1
. 1 . 44 . 1 1 2 DG H22 H 4.063 -4.955 23.599 . . . 1.0 . . . . . . . . . . . . A . 2 DG H22 . . . . . . . . . rr_1b5k 1
. 1 . 45 . 1 1 2 DG H3' H 9.681 0.383 24.350 . . . 1.0 . . . . . . . . . . . . A . 2 DG H3' . . . . . . . . . rr_1b5k 1
. 1 . 46 . 1 1 2 DG H4' H 9.388 -1.405 26.401 . . . 1.0 . . . . . . . . . . . . A . 2 DG H4' . . . . . . . . . rr_1b5k 1
. 1 . 47 . 1 1 2 DG H5' H 9.273 0.408 28.010 . . . 1.0 . . . . . . . . . . . . A . 2 DG H5' . . . . . . . . . rr_1b5k 1
. 1 . 48 . 1 1 2 DG H5'' H 10.434 0.775 26.722 . . . 1.0 . . . . . . . . . . . . A . 2 DG H5'' . . . . . . . . . rr_1b5k 1
. 1 . 49 . 1 1 2 DG H8 H 5.356 1.461 25.951 . . . 1.0 . . . . . . . . . . . . A . 2 DG H8 . . . . . . . . . rr_1b5k 1
. 1 . 50 . 1 1 2 DG N1 N 2.005 -2.600 24.605 . . . 1.0 . . . . . . . . . . . . A . 2 DG N1 . . . . . . . . . rr_1b5k 1
. 1 . 51 . 1 1 2 DG N2 N 3.181 -4.554 23.885 . . . 1.0 . . . . . . . . . . . . A . 2 DG N2 . . . . . . . . . rr_1b5k 1
. 1 . 52 . 1 1 2 DG N3 N 4.388 -2.649 24.549 . . . 1.0 . . . . . . . . . . . . A . 2 DG N3 . . . . . . . . . rr_1b5k 1
. 1 . 53 . 1 1 2 DG N7 N 3.440 0.612 25.700 . . . 1.0 . . . . . . . . . . . . A . 2 DG N7 . . . . . . . . . rr_1b5k 1
. 1 . 54 . 1 1 2 DG N9 N 5.328 -0.554 25.264 . . . 1.0 . . . . . . . . . . . . A . 2 DG N9 . . . . . . . . . rr_1b5k 1
. 1 . 55 . 1 1 2 DG O3' O 9.338 -1.628 24.056 . . . 1.0 . . . . . . . . . . . . A . 2 DG O3' . . . . . . . . . rr_1b5k 1
. 1 . 56 . 1 1 2 DG O4' O 7.430 -0.788 26.401 . . . 1.0 . . . . . . . . . . . . A . 2 DG O4' . . . . . . . . . rr_1b5k 1
. 1 . 57 . 1 1 2 DG O5' O 8.691 1.895 26.712 . . . 1.0 . . . . . . . . . . . . A . 2 DG O5' . . . . . . . . . rr_1b5k 1
. 1 . 58 . 1 1 2 DG O6 O 0.741 -0.848 25.238 . . . 1.0 . . . . . . . . . . . . A . 2 DG O6 . . . . . . . . . rr_1b5k 1
. 1 . 59 . 1 1 2 DG OP1 O 10.679 3.348 27.218 . . . 1.0 . . . . . . . . . . . . A . 2 DG OP1 . . . . . . . . . rr_1b5k 1
. 1 . 60 . 1 1 2 DG OP2 O 8.365 4.375 26.843 . . . 1.0 . . . . . . . . . . . . A . 2 DG OP2 . . . . . . . . . rr_1b5k 1
. 1 . 61 . 1 1 2 DG P P 9.207 3.276 27.369 . . . 1.0 . . . . . . . . . . . . A . 2 DG P . . . . . . . . . rr_1b5k 1
. 1 . 62 . 1 1 3 DT C1' C 5.286 -4.922 21.407 . . . 1.0 . . . . . . . . . . . . A . 3 DT C1' . . . . . . . . . rr_1b5k 1
. 1 . 63 . 1 1 3 DT C2 C 3.042 -3.950 21.176 . . . 1.0 . . . . . . . . . . . . A . 3 DT C2 . . . . . . . . . rr_1b5k 1
. 1 . 64 . 1 1 3 DT C2' C 6.484 -4.800 20.473 . . . 1.0 . . . . . . . . . . . . A . 3 DT C2' . . . . . . . . . rr_1b5k 1
. 1 . 65 . 1 1 3 DT C3' C 7.388 -5.835 21.110 . . . 1.0 . . . . . . . . . . . . A . 3 DT C3' . . . . . . . . . rr_1b5k 1
. 1 . 66 . 1 1 3 DT C4 C 2.663 -1.530 21.352 . . . 1.0 . . . . . . . . . . . . A . 3 DT C4 . . . . . . . . . rr_1b5k 1
. 1 . 67 . 1 1 3 DT C4' C 7.212 -5.485 22.592 . . . 1.0 . . . . . . . . . . . . A . 3 DT C4' . . . . . . . . . rr_1b5k 1
. 1 . 68 . 1 1 3 DT C5 C 4.085 -1.382 21.550 . . . 1.0 . . . . . . . . . . . . A . 3 DT C5 . . . . . . . . . rr_1b5k 1
. 1 . 69 . 1 1 3 DT C5' C 8.211 -4.443 23.126 . . . 1.0 . . . . . . . . . . . . A . 3 DT C5' . . . . . . . . . rr_1b5k 1
. 1 . 70 . 1 1 3 DT C6 C 4.892 -2.462 21.557 . . . 1.0 . . . . . . . . . . . . A . 3 DT C6 . . . . . . . . . rr_1b5k 1
. 1 . 71 . 1 1 3 DT C7 C 4.683 0.015 21.752 . . . 1.0 . . . . . . . . . . . . A . 3 DT C7 . . . . . . . . . rr_1b5k 1
. 1 . 72 . 1 1 3 DT H1' H 4.737 -5.829 21.152 . . . 1.0 . . . . . . . . . . . . A . 3 DT H1' . . . . . . . . . rr_1b5k 1
. 1 . 73 . 1 1 3 DT H2' H 6.946 -3.823 20.610 . . . 1.0 . . . . . . . . . . . . A . 3 DT H2' . . . . . . . . . rr_1b5k 1
. 1 . 74 . 1 1 3 DT H2'' H 6.224 -4.976 19.429 . . . 1.0 . . . . . . . . . . . . A . 3 DT H2'' . . . . . . . . . rr_1b5k 1
. 1 . 75 . 1 1 3 DT H3 H 1.262 -2.987 21.037 . . . 1.0 . . . . . . . . . . . . A . 3 DT H3 . . . . . . . . . rr_1b5k 1
. 1 . 76 . 1 1 3 DT H3' H 8.433 -5.721 20.821 . . . 1.0 . . . . . . . . . . . . A . 3 DT H3' . . . . . . . . . rr_1b5k 1
. 1 . 77 . 1 1 3 DT H4' H 7.343 -6.398 23.172 . . . 1.0 . . . . . . . . . . . . A . 3 DT H4' . . . . . . . . . rr_1b5k 1
. 1 . 78 . 1 1 3 DT H5' H 8.018 -4.300 24.189 . . . 1.0 . . . . . . . . . . . . A . 3 DT H5' . . . . . . . . . rr_1b5k 1
. 1 . 79 . 1 1 3 DT H5'' H 9.222 -4.829 23.001 . . . 1.0 . . . . . . . . . . . . A . 3 DT H5'' . . . . . . . . . rr_1b5k 1
. 1 . 80 . 1 1 3 DT H6 H 5.960 -2.310 21.712 . . . 1.0 . . . . . . . . . . . . A . 3 DT H6 . . . . . . . . . rr_1b5k 1
. 1 . 81 . 1 1 3 DT H71 H 5.434 0.206 20.986 . . . 1.0 . . . . . . . . . . . . A . 3 DT H71 . . . . . . . . . rr_1b5k 1
. 1 . 82 . 1 1 3 DT H72 H 3.900 0.771 21.682 . . . 1.0 . . . . . . . . . . . . A . 3 DT H72 . . . . . . . . . rr_1b5k 1
. 1 . 83 . 1 1 3 DT H73 H 5.146 0.077 22.736 . . . 1.0 . . . . . . . . . . . . A . 3 DT H73 . . . . . . . . . rr_1b5k 1
. 1 . 84 . 1 1 3 DT N1 N 4.396 -3.733 21.375 . . . 1.0 . . . . . . . . . . . . A . 3 DT N1 . . . . . . . . . rr_1b5k 1
. 1 . 85 . 1 1 3 DT N3 N 2.250 -2.830 21.177 . . . 1.0 . . . . . . . . . . . . A . 3 DT N3 . . . . . . . . . rr_1b5k 1
. 1 . 86 . 1 1 3 DT O2 O 2.544 -5.060 21.006 . . . 1.0 . . . . . . . . . . . . A . 3 DT O2 . . . . . . . . . rr_1b5k 1
. 1 . 87 . 1 1 3 DT O3' O 7.011 -7.201 20.859 . . . 1.0 . . . . . . . . . . . . A . 3 DT O3' . . . . . . . . . rr_1b5k 1
. 1 . 88 . 1 1 3 DT O4 O 1.831 -0.628 21.337 . . . 1.0 . . . . . . . . . . . . A . 3 DT O4 . . . . . . . . . rr_1b5k 1
. 1 . 89 . 1 1 3 DT O4' O 5.842 -5.066 22.730 . . . 1.0 . . . . . . . . . . . . A . 3 DT O4' . . . . . . . . . rr_1b5k 1
. 1 . 90 . 1 1 3 DT O5' O 8.090 -3.165 22.472 . . . 1.0 . . . . . . . . . . . . A . 3 DT O5' . . . . . . . . . rr_1b5k 1
. 1 . 91 . 1 1 3 DT OP1 O 10.546 -2.730 22.157 . . . 1.0 . . . . . . . . . . . . A . 3 DT OP1 . . . . . . . . . rr_1b5k 1
. 1 . 92 . 1 1 3 DT OP2 O 8.818 -0.900 21.696 . . . 1.0 . . . . . . . . . . . . A . 3 DT OP2 . . . . . . . . . rr_1b5k 1
. 1 . 93 . 1 1 3 DT P P 9.270 -2.061 22.497 . . . 1.0 . . . . . . . . . . . . A . 3 DT P . . . . . . . . . rr_1b5k 1
. 1 . 94 . 1 1 4 DA C1' C 2.354 -5.908 17.424 . . . 1.0 . . . . . . . . . . . . A . 4 DA C1' . . . . . . . . . rr_1b5k 1
. 1 . 95 . 1 1 4 DA C2 C -1.066 -3.244 17.860 . . . 1.0 . . . . . . . . . . . . A . 4 DA C2 . . . . . . . . . rr_1b5k 1
. 1 . 96 . 1 1 4 DA C2' C 3.541 -6.267 16.545 . . . 1.0 . . . . . . . . . . . . A . 4 DA C2' . . . . . . . . . rr_1b5k 1
. 1 . 97 . 1 1 4 DA C3' C 3.451 -7.776 16.640 . . . 1.0 . . . . . . . . . . . . A . 4 DA C3' . . . . . . . . . rr_1b5k 1
. 1 . 98 . 1 1 4 DA C4 C 1.082 -3.746 17.861 . . . 1.0 . . . . . . . . . . . . A . 4 DA C4 . . . . . . . . . rr_1b5k 1
. 1 . 99 . 1 1 4 DA C4' C 3.206 -7.941 18.147 . . . 1.0 . . . . . . . . . . . . A . 4 DA C4' . . . . . . . . . rr_1b5k 1
. 1 . 100 . 1 1 4 DA C5 C 1.447 -2.467 18.191 . . . 1.0 . . . . . . . . . . . . A . 4 DA C5 . . . . . . . . . rr_1b5k 1
. 1 . 101 . 1 1 4 DA C5' C 4.448 -8.378 18.937 . . . 1.0 . . . . . . . . . . . . A . 4 DA C5' . . . . . . . . . rr_1b5k 1
. 1 . 102 . 1 1 4 DA C6 C 0.409 -1.540 18.358 . . . 1.0 . . . . . . . . . . . . A . 4 DA C6 . . . . . . . . . rr_1b5k 1
. 1 . 103 . 1 1 4 DA C8 C 3.229 -3.565 18.026 . . . 1.0 . . . . . . . . . . . . A . 4 DA C8 . . . . . . . . . rr_1b5k 1
. 1 . 104 . 1 1 4 DA H1' H 1.434 -6.245 16.946 . . . 1.0 . . . . . . . . . . . . A . 4 DA H1' . . . . . . . . . rr_1b5k 1
. 1 . 105 . 1 1 4 DA H2 H -2.109 -3.532 17.731 . . . 1.0 . . . . . . . . . . . . A . 4 DA H2 . . . . . . . . . rr_1b5k 1
. 1 . 106 . 1 1 4 DA H2' H 4.448 -5.923 17.042 . . . 1.0 . . . . . . . . . . . . A . 4 DA H2' . . . . . . . . . rr_1b5k 1
. 1 . 107 . 1 1 4 DA H2'' H 3.476 -5.896 15.523 . . . 1.0 . . . . . . . . . . . . A . 4 DA H2'' . . . . . . . . . rr_1b5k 1
. 1 . 108 . 1 1 4 DA H3' H 4.374 -8.272 16.341 . . . 1.0 . . . . . . . . . . . . A . 4 DA H3' . . . . . . . . . rr_1b5k 1
. 1 . 109 . 1 1 4 DA H4' H 2.453 -8.722 18.256 . . . 1.0 . . . . . . . . . . . . A . 4 DA H4' . . . . . . . . . rr_1b5k 1
. 1 . 110 . 1 1 4 DA H5' H 4.180 -8.440 19.992 . . . 1.0 . . . . . . . . . . . . A . 4 DA H5' . . . . . . . . . rr_1b5k 1
. 1 . 111 . 1 1 4 DA H5'' H 4.738 -9.371 18.591 . . . 1.0 . . . . . . . . . . . . A . 4 DA H5'' . . . . . . . . . rr_1b5k 1
. 1 . 112 . 1 1 4 DA H61 H -0.140 0.446 18.857 . . . 1.0 . . . . . . . . . . . . A . 4 DA H61 . . . . . . . . . rr_1b5k 1
. 1 . 113 . 1 1 4 DA H62 H 1.592 0.160 18.797 . . . 1.0 . . . . . . . . . . . . A . 4 DA H62 . . . . . . . . . rr_1b5k 1
. 1 . 114 . 1 1 4 DA H8 H 4.284 -3.838 18.019 . . . 1.0 . . . . . . . . . . . . A . 4 DA H8 . . . . . . . . . rr_1b5k 1
. 1 . 115 . 1 1 4 DA N1 N -0.848 -1.974 18.181 . . . 1.0 . . . . . . . . . . . . A . 4 DA N1 . . . . . . . . . rr_1b5k 1
. 1 . 116 . 1 1 4 DA N3 N -0.175 -4.208 17.677 . . . 1.0 . . . . . . . . . . . . A . 4 DA N3 . . . . . . . . . rr_1b5k 1
. 1 . 117 . 1 1 4 DA N6 N 0.643 -0.174 18.705 . . . 1.0 . . . . . . . . . . . . A . 4 DA N6 . . . . . . . . . rr_1b5k 1
. 1 . 118 . 1 1 4 DA N7 N 2.834 -2.356 18.297 . . . 1.0 . . . . . . . . . . . . A . 4 DA N7 . . . . . . . . . rr_1b5k 1
. 1 . 119 . 1 1 4 DA N9 N 2.247 -4.470 17.752 . . . 1.0 . . . . . . . . . . . . A . 4 DA N9 . . . . . . . . . rr_1b5k 1
. 1 . 120 . 1 1 4 DA O3' O 2.369 -8.376 15.899 . . . 1.0 . . . . . . . . . . . . A . 4 DA O3' . . . . . . . . . rr_1b5k 1
. 1 . 121 . 1 1 4 DA O4' O 2.608 -6.703 18.592 . . . 1.0 . . . . . . . . . . . . A . 4 DA O4' . . . . . . . . . rr_1b5k 1
. 1 . 122 . 1 1 4 DA O5' O 5.573 -7.497 18.778 . . . 1.0 . . . . . . . . . . . . A . 4 DA O5' . . . . . . . . . rr_1b5k 1
. 1 . 123 . 1 1 4 DA OP1 O 7.130 -9.324 19.546 . . . 1.0 . . . . . . . . . . . . A . 4 DA OP1 . . . . . . . . . rr_1b5k 1
. 1 . 124 . 1 1 4 DA OP2 O 8.047 -7.149 18.567 . . . 1.0 . . . . . . . . . . . . A . 4 DA OP2 . . . . . . . . . rr_1b5k 1
. 1 . 125 . 1 1 4 DA P P 7.032 -7.855 19.381 . . . 1.0 . . . . . . . . . . . . A . 4 DA P . . . . . . . . . rr_1b5k 1
. 1 . 126 . 1 1 5 DC C1' C -2.282 -5.501 13.762 . . . 1.0 . . . . . . . . . . . . A . 5 DC C1' . . . . . . . . . rr_1b5k 1
. 1 . 127 . 1 1 5 DC C2 C -1.972 -3.188 14.563 . . . 1.0 . . . . . . . . . . . . A . 5 DC C2 . . . . . . . . . rr_1b5k 1
. 1 . 128 . 1 1 5 DC C2' C -1.738 -6.335 12.582 . . . 1.0 . . . . . . . . . . . . A . 5 DC C2' . . . . . . . . . rr_1b5k 1
. 1 . 129 . 1 1 5 DC C3' C -2.161 -7.746 12.944 . . . 1.0 . . . . . . . . . . . . A . 5 DC C3' . . . . . . . . . rr_1b5k 1
. 1 . 130 . 1 1 5 DC C4 C 0.154 -2.268 14.923 . . . 1.0 . . . . . . . . . . . . A . 5 DC C4 . . . . . . . . . rr_1b5k 1
. 1 . 131 . 1 1 5 DC C4' C -1.962 -7.730 14.459 . . . 1.0 . . . . . . . . . . . . A . 5 DC C4' . . . . . . . . . rr_1b5k 1
. 1 . 132 . 1 1 5 DC C5 C 0.786 -3.477 14.521 . . . 1.0 . . . . . . . . . . . . A . 5 DC C5 . . . . . . . . . rr_1b5k 1
. 1 . 133 . 1 1 5 DC C5' C -0.587 -8.233 14.930 . . . 1.0 . . . . . . . . . . . . A . 5 DC C5' . . . . . . . . . rr_1b5k 1
. 1 . 134 . 1 1 5 DC C6 C -0.009 -4.502 14.154 . . . 1.0 . . . . . . . . . . . . A . 5 DC C6 . . . . . . . . . rr_1b5k 1
. 1 . 135 . 1 1 5 DC H1' H -3.277 -5.114 13.538 . . . 1.0 . . . . . . . . . . . . A . 5 DC H1' . . . . . . . . . rr_1b5k 1
. 1 . 136 . 1 1 5 DC H2' H -0.649 -6.355 12.635 . . . 1.0 . . . . . . . . . . . . A . 5 DC H2' . . . . . . . . . rr_1b5k 1
. 1 . 137 . 1 1 5 DC H2'' H -2.073 -5.979 11.608 . . . 1.0 . . . . . . . . . . . . A . 5 DC H2'' . . . . . . . . . rr_1b5k 1
. 1 . 138 . 1 1 5 DC H3' H -1.509 -8.497 12.497 . . . 1.0 . . . . . . . . . . . . A . 5 DC H3' . . . . . . . . . rr_1b5k 1
. 1 . 139 . 1 1 5 DC H4' H -2.707 -8.396 14.894 . . . 1.0 . . . . . . . . . . . . A . 5 DC H4' . . . . . . . . . rr_1b5k 1
. 1 . 140 . 1 1 5 DC H41 H 0.507 -0.304 15.615 . . . 1.0 . . . . . . . . . . . . A . 5 DC H41 . . . . . . . . . rr_1b5k 1
. 1 . 141 . 1 1 5 DC H42 H 1.966 -1.240 15.311 . . . 1.0 . . . . . . . . . . . . A . 5 DC H42 . . . . . . . . . rr_1b5k 1
. 1 . 142 . 1 1 5 DC H5 H 1.874 -3.546 14.511 . . . 1.0 . . . . . . . . . . . . A . 5 DC H5 . . . . . . . . . rr_1b5k 1
. 1 . 143 . 1 1 5 DC H5' H -0.565 -8.192 16.019 . . . 1.0 . . . . . . . . . . . . A . 5 DC H5' . . . . . . . . . rr_1b5k 1
. 1 . 144 . 1 1 5 DC H5'' H -0.483 -9.273 14.620 . . . 1.0 . . . . . . . . . . . . A . 5 DC H5'' . . . . . . . . . rr_1b5k 1
. 1 . 145 . 1 1 5 DC H6 H 0.477 -5.433 13.860 . . . 1.0 . . . . . . . . . . . . A . 5 DC H6 . . . . . . . . . rr_1b5k 1
. 1 . 146 . 1 1 5 DC N1 N -1.379 -4.378 14.165 . . . 1.0 . . . . . . . . . . . . A . 5 DC N1 . . . . . . . . . rr_1b5k 1
. 1 . 147 . 1 1 5 DC N3 N -1.175 -2.155 14.935 . . . 1.0 . . . . . . . . . . . . A . 5 DC N3 . . . . . . . . . rr_1b5k 1
. 1 . 148 . 1 1 5 DC N4 N 0.959 -1.158 15.323 . . . 1.0 . . . . . . . . . . . . A . 5 DC N4 . . . . . . . . . rr_1b5k 1
. 1 . 149 . 1 1 5 DC O2 O -3.190 -3.054 14.587 . . . 1.0 . . . . . . . . . . . . A . 5 DC O2 . . . . . . . . . rr_1b5k 1
. 1 . 150 . 1 1 5 DC O3' O -3.507 -8.092 12.607 . . . 1.0 . . . . . . . . . . . . A . 5 DC O3' . . . . . . . . . rr_1b5k 1
. 1 . 151 . 1 1 5 DC O4' O -2.282 -6.394 14.893 . . . 1.0 . . . . . . . . . . . . A . 5 DC O4' . . . . . . . . . rr_1b5k 1
. 1 . 152 . 1 1 5 DC O5' O 0.523 -7.470 14.427 . . . 1.0 . . . . . . . . . . . . A . 5 DC O5' . . . . . . . . . rr_1b5k 1
. 1 . 153 . 1 1 5 DC OP1 O 1.910 -9.427 13.666 . . . 1.0 . . . . . . . . . . . . A . 5 DC OP1 . . . . . . . . . rr_1b5k 1
. 1 . 154 . 1 1 5 DC OP2 O 2.909 -7.074 13.798 . . . 1.0 . . . . . . . . . . . . A . 5 DC OP2 . . . . . . . . . rr_1b5k 1
. 1 . 155 . 1 1 5 DC P P 2.004 -8.113 14.342 . . . 1.0 . . . . . . . . . . . . A . 5 DC P . . . . . . . . . rr_1b5k 1
. 1 . 156 . 1 1 6 EDC C1' C -6.288 -3.825 11.446 . . . 1.0 . . . . . . . . . . . . A . 6 EDC C1' . . . . . . . . . rr_1b5k 1
. 1 . 157 . 1 1 6 EDC C2 C -3.987 -2.791 11.525 . . . 1.0 . . . . . . . . . . . . A . 6 EDC C2 . . . . . . . . . rr_1b5k 1
. 1 . 158 . 1 1 6 EDC C2' C -6.220 -4.376 10.050 . . . 1.0 . . . . . . . . . . . . A . 6 EDC C2' . . . . . . . . . rr_1b5k 1
. 1 . 159 . 1 1 6 EDC C3' C -7.300 -5.438 10.178 . . . 1.0 . . . . . . . . . . . . A . 6 EDC C3' . . . . . . . . . rr_1b5k 1
. 1 . 160 . 1 1 6 EDC C4 C -3.833 -0.542 12.390 . . . 1.0 . . . . . . . . . . . . A . 6 EDC C4 . . . . . . . . . rr_1b5k 1
. 1 . 161 . 1 1 6 EDC C4' C -6.993 -5.996 11.580 . . . 1.0 . . . . . . . . . . . . A . 6 EDC C4' . . . . . . . . . rr_1b5k 1
. 1 . 162 . 1 1 6 EDC C5 C -5.233 -0.482 12.629 . . . 1.0 . . . . . . . . . . . . A . 6 EDC C5 . . . . . . . . . rr_1b5k 1
. 1 . 163 . 1 1 6 EDC C5' C -6.309 -7.354 11.554 . . . 1.0 . . . . . . . . . . . . A . 6 EDC C5' . . . . . . . . . rr_1b5k 1
. 1 . 164 . 1 1 6 EDC C6 C -5.931 -1.586 12.307 . . . 1.0 . . . . . . . . . . . . A . 6 EDC C6 . . . . . . . . . rr_1b5k 1
. 1 . 165 . 1 1 6 EDC C7 C -1.726 -0.192 12.216 . . . 1.0 . . . . . . . . . . . . A . 6 EDC C7 . . . . . . . . . rr_1b5k 1
. 1 . 166 . 1 1 6 EDC C8 C -1.967 -1.434 11.757 . . . 1.0 . . . . . . . . . . . . A . 6 EDC C8 . . . . . . . . . rr_1b5k 1
. 1 . 167 . 1 1 6 EDC H1' H -7.304 -3.432 11.494 . . . 1.0 . . . . . . . . . . . . A . 6 EDC H1' . . . . . . . . . rr_1b5k 1
. 1 . 168 . 1 1 6 EDC H2' H -5.230 -4.816 9.928 . . . 1.0 . . . . . . . . . . . . A . 6 EDC H2' . . . . . . . . . rr_1b5k 1
. 1 . 169 . 1 1 6 EDC H2'' H -6.443 -3.588 9.330 . . . 1.0 . . . . . . . . . . . . A . 6 EDC H2'' . . . . . . . . . rr_1b5k 1
. 1 . 170 . 1 1 6 EDC H3' H -7.227 -6.216 9.418 . . . 1.0 . . . . . . . . . . . . A . 6 EDC H3' . . . . . . . . . rr_1b5k 1
. 1 . 171 . 1 1 6 EDC H4' H -7.947 -6.101 12.098 . . . 1.0 . . . . . . . . . . . . A . 6 EDC H4' . . . . . . . . . rr_1b5k 1
. 1 . 172 . 1 1 6 EDC H5 H -5.747 0.392 13.030 . . . 1.0 . . . . . . . . . . . . A . 6 EDC H5 . . . . . . . . . rr_1b5k 1
. 1 . 173 . 1 1 6 EDC H5' H -6.138 -7.665 12.585 . . . 1.0 . . . . . . . . . . . . A . 6 EDC H5' . . . . . . . . . rr_1b5k 1
. 1 . 174 . 1 1 6 EDC H5'' H -6.969 -8.075 11.072 . . . 1.0 . . . . . . . . . . . . A . 6 EDC H5'' . . . . . . . . . rr_1b5k 1
. 1 . 175 . 1 1 6 EDC H6 H -7.006 -1.623 12.489 . . . 1.0 . . . . . . . . . . . . A . 6 EDC H6 . . . . . . . . . rr_1b5k 1
. 1 . 176 . 1 1 6 EDC H7 H -0.744 0.279 12.258 . . . 1.0 . . . . . . . . . . . . A . 6 EDC H7 . . . . . . . . . rr_1b5k 1
. 1 . 177 . 1 1 6 EDC H8 H -1.231 -2.130 11.354 . . . 1.0 . . . . . . . . . . . . A . 6 EDC H8 . . . . . . . . . rr_1b5k 1
. 1 . 178 . 1 1 6 EDC N1 N -5.362 -2.706 11.773 . . . 1.0 . . . . . . . . . . . . A . 6 EDC N1 . . . . . . . . . rr_1b5k 1
. 1 . 179 . 1 1 6 EDC N3 N -3.278 -1.646 11.868 . . . 1.0 . . . . . . . . . . . . A . 6 EDC N3 . . . . . . . . . rr_1b5k 1
. 1 . 180 . 1 1 6 EDC N4 N -2.928 0.423 12.638 . . . 1.0 . . . . . . . . . . . . A . 6 EDC N4 . . . . . . . . . rr_1b5k 1
. 1 . 181 . 1 1 6 EDC O2 O -3.508 -3.817 11.045 . . . 1.0 . . . . . . . . . . . . A . 6 EDC O2 . . . . . . . . . rr_1b5k 1
. 1 . 182 . 1 1 6 EDC O3' O -8.634 -4.894 10.150 . . . 1.0 . . . . . . . . . . . . A . 6 EDC O3' . . . . . . . . . rr_1b5k 1
. 1 . 183 . 1 1 6 EDC O4' O -6.217 -4.989 12.272 . . . 1.0 . . . . . . . . . . . . A . 6 EDC O4' . . . . . . . . . rr_1b5k 1
. 1 . 184 . 1 1 6 EDC O5' O -5.066 -7.316 10.843 . . . 1.0 . . . . . . . . . . . . A . 6 EDC O5' . . . . . . . . . rr_1b5k 1
. 1 . 185 . 1 1 6 EDC OP1 O -4.620 -9.771 11.105 . . . 1.0 . . . . . . . . . . . . A . 6 EDC OP1 . . . . . . . . . rr_1b5k 1
. 1 . 186 . 1 1 6 EDC OP2 O -2.826 -8.196 10.171 . . . 1.0 . . . . . . . . . . . . A . 6 EDC OP2 . . . . . . . . . rr_1b5k 1
. 1 . 187 . 1 1 6 EDC P P -3.956 -8.445 11.096 . . . 1.0 . . . . . . . . . . . . A . 6 EDC P . . . . . . . . . rr_1b5k 1
. 1 . 188 . 1 1 7 DC C1' C -6.902 0.423 9.112 . . . 1.0 . . . . . . . . . . . . A . 7 DC C1' . . . . . . . . . rr_1b5k 1
. 1 . 189 . 1 1 7 DC C2 C -4.485 0.762 9.446 . . . 1.0 . . . . . . . . . . . . A . 7 DC C2 . . . . . . . . . rr_1b5k 1
. 1 . 190 . 1 1 7 DC C2' C -7.851 0.098 7.961 . . . 1.0 . . . . . . . . . . . . A . 7 DC C2' . . . . . . . . . rr_1b5k 1
. 1 . 191 . 1 1 7 DC C3' C -9.163 0.400 8.643 . . . 1.0 . . . . . . . . . . . . A . 7 DC C3' . . . . . . . . . rr_1b5k 1
. 1 . 192 . 1 1 7 DC C4 C -2.908 -0.796 8.687 . . . 1.0 . . . . . . . . . . . . A . 7 DC C4 . . . . . . . . . rr_1b5k 1
. 1 . 193 . 1 1 7 DC C4' C -8.929 -0.294 9.996 . . . 1.0 . . . . . . . . . . . . A . 7 DC C4' . . . . . . . . . rr_1b5k 1
. 1 . 194 . 1 1 7 DC C5 C -3.936 -1.635 8.152 . . . 1.0 . . . . . . . . . . . . A . 7 DC C5 . . . . . . . . . rr_1b5k 1
. 1 . 195 . 1 1 7 DC C5' C -9.443 -1.739 10.059 . . . 1.0 . . . . . . . . . . . . A . 7 DC C5' . . . . . . . . . rr_1b5k 1
. 1 . 196 . 1 1 7 DC C6 C -5.208 -1.218 8.299 . . . 1.0 . . . . . . . . . . . . A . 7 DC C6 . . . . . . . . . rr_1b5k 1
. 1 . 197 . 1 1 7 DC H1' H -6.925 1.500 9.281 . . . 1.0 . . . . . . . . . . . . A . 7 DC H1' . . . . . . . . . rr_1b5k 1
. 1 . 198 . 1 1 7 DC H2' H -7.835 -0.974 7.765 . . . 1.0 . . . . . . . . . . . . A . 7 DC H2' . . . . . . . . . rr_1b5k 1
. 1 . 199 . 1 1 7 DC H2'' H -7.662 0.686 7.064 . . . 1.0 . . . . . . . . . . . . A . 7 DC H2'' . . . . . . . . . rr_1b5k 1
. 1 . 200 . 1 1 7 DC H3' H -10.004 -0.054 8.120 . . . 1.0 . . . . . . . . . . . . A . 7 DC H3' . . . . . . . . . rr_1b5k 1
. 1 . 201 . 1 1 7 DC H4' H -9.443 0.287 10.762 . . . 1.0 . . . . . . . . . . . . A . 7 DC H4' . . . . . . . . . rr_1b5k 1
. 1 . 202 . 1 1 7 DC H41 H -0.834 -0.562 8.953 . . . 1.0 . . . . . . . . . . . . A . 7 DC H41 . . . . . . . . . rr_1b5k 1
. 1 . 203 . 1 1 7 DC H42 H -1.286 -2.048 8.122 . . . 1.0 . . . . . . . . . . . . A . 7 DC H42 . . . . . . . . . rr_1b5k 1
. 1 . 204 . 1 1 7 DC H5 H -3.721 -2.572 7.639 . . . 1.0 . . . . . . . . . . . . A . 7 DC H5 . . . . . . . . . rr_1b5k 1
. 1 . 205 . 1 1 7 DC H5' H -9.249 -2.131 11.058 . . . 1.0 . . . . . . . . . . . . A . 7 DC H5' . . . . . . . . . rr_1b5k 1
. 1 . 206 . 1 1 7 DC H5'' H -10.520 -1.737 9.888 . . . 1.0 . . . . . . . . . . . . A . 7 DC H5'' . . . . . . . . . rr_1b5k 1
. 1 . 207 . 1 1 7 DC H6 H -5.998 -1.850 7.892 . . . 1.0 . . . . . . . . . . . . A . 7 DC H6 . . . . . . . . . rr_1b5k 1
. 1 . 208 . 1 1 7 DC N1 N -5.500 -0.040 8.935 . . . 1.0 . . . . . . . . . . . . A . 7 DC N1 . . . . . . . . . rr_1b5k 1
. 1 . 209 . 1 1 7 DC N3 N -3.200 0.354 9.306 . . . 1.0 . . . . . . . . . . . . A . 7 DC N3 . . . . . . . . . rr_1b5k 1
. 1 . 210 . 1 1 7 DC N4 N -1.537 -1.179 8.572 . . . 1.0 . . . . . . . . . . . . A . 7 DC N4 . . . . . . . . . rr_1b5k 1
. 1 . 211 . 1 1 7 DC O2 O -4.722 1.825 10.012 . . . 1.0 . . . . . . . . . . . . A . 7 DC O2 . . . . . . . . . rr_1b5k 1
. 1 . 212 . 1 1 7 DC O3' O -9.432 1.806 8.810 . . . 1.0 . . . . . . . . . . . . A . 7 DC O3' . . . . . . . . . rr_1b5k 1
. 1 . 213 . 1 1 7 DC O4' O -7.510 -0.212 10.245 . . . 1.0 . . . . . . . . . . . . A . 7 DC O4' . . . . . . . . . rr_1b5k 1
. 1 . 214 . 1 1 7 DC O5' O -8.814 -2.597 9.092 . . . 1.0 . . . . . . . . . . . . A . 7 DC O5' . . . . . . . . . rr_1b5k 1
. 1 . 215 . 1 1 7 DC OP1 O -10.745 -4.203 8.994 . . . 1.0 . . . . . . . . . . . . A . 7 DC OP1 . . . . . . . . . rr_1b5k 1
. 1 . 216 . 1 1 7 DC OP2 O -8.614 -4.633 7.645 . . . 1.0 . . . . . . . . . . . . A . 7 DC OP2 . . . . . . . . . rr_1b5k 1
. 1 . 217 . 1 1 7 DC P P -9.271 -4.132 8.874 . . . 1.0 . . . . . . . . . . . . A . 7 DC P . . . . . . . . . rr_1b5k 1
. 1 . 218 . 1 1 8 DA C1' C -5.629 5.814 7.442 . . . 1.0 . . . . . . . . . . . . A . 8 DA C1' . . . . . . . . . rr_1b5k 1
. 1 . 219 . 1 1 8 DA C2 C -1.424 4.636 7.586 . . . 1.0 . . . . . . . . . . . . A . 8 DA C2 . . . . . . . . . rr_1b5k 1
. 1 . 220 . 1 1 8 DA C2' C -6.770 6.066 6.455 . . . 1.0 . . . . . . . . . . . . A . 8 DA C2' . . . . . . . . . rr_1b5k 1
. 1 . 221 . 1 1 8 DA C3' C -7.713 6.883 7.314 . . . 1.0 . . . . . . . . . . . . A . 8 DA C3' . . . . . . . . . rr_1b5k 1
. 1 . 222 . 1 1 8 DA C4 C -3.571 4.314 7.234 . . . 1.0 . . . . . . . . . . . . A . 8 DA C4 . . . . . . . . . rr_1b5k 1
. 1 . 223 . 1 1 8 DA C4' C -7.629 6.104 8.630 . . . 1.0 . . . . . . . . . . . . A . 8 DA C4' . . . . . . . . . rr_1b5k 1
. 1 . 224 . 1 1 8 DA C5 C -3.384 3.001 6.883 . . . 1.0 . . . . . . . . . . . . A . 8 DA C5 . . . . . . . . . rr_1b5k 1
. 1 . 225 . 1 1 8 DA C5' C -8.674 4.988 8.789 . . . 1.0 . . . . . . . . . . . . A . 8 DA C5' . . . . . . . . . rr_1b5k 1
. 1 . 226 . 1 1 8 DA C6 C -2.072 2.526 6.907 . . . 1.0 . . . . . . . . . . . . A . 8 DA C6 . . . . . . . . . rr_1b5k 1
. 1 . 227 . 1 1 8 DA C8 C -5.438 3.357 6.733 . . . 1.0 . . . . . . . . . . . . A . 8 DA C8 . . . . . . . . . rr_1b5k 1
. 1 . 228 . 1 1 8 DA H1' H -4.952 6.668 7.487 . . . 1.0 . . . . . . . . . . . . A . 8 DA H1' . . . . . . . . . rr_1b5k 1
. 1 . 229 . 1 1 8 DA H2 H -0.591 5.280 7.869 . . . 1.0 . . . . . . . . . . . . A . 8 DA H2 . . . . . . . . . rr_1b5k 1
. 1 . 230 . 1 1 8 DA H2' H -7.266 5.116 6.258 . . . 1.0 . . . . . . . . . . . . A . 8 DA H2' . . . . . . . . . rr_1b5k 1
. 1 . 231 . 1 1 8 DA H2'' H -6.450 6.533 5.524 . . . 1.0 . . . . . . . . . . . . A . 8 DA H2'' . . . . . . . . . rr_1b5k 1
. 1 . 232 . 1 1 8 DA H3' H -8.736 6.870 6.937 . . . 1.0 . . . . . . . . . . . . A . 8 DA H3' . . . . . . . . . rr_1b5k 1
. 1 . 233 . 1 1 8 DA H4' H -7.780 6.811 9.446 . . . 1.0 . . . . . . . . . . . . A . 8 DA H4' . . . . . . . . . rr_1b5k 1
. 1 . 234 . 1 1 8 DA H5' H -8.533 4.525 9.766 . . . 1.0 . . . . . . . . . . . . A . 8 DA H5' . . . . . . . . . rr_1b5k 1
. 1 . 235 . 1 1 8 DA H5'' H -9.669 5.430 8.750 . . . 1.0 . . . . . . . . . . . . A . 8 DA H5'' . . . . . . . . . rr_1b5k 1
. 1 . 236 . 1 1 8 DA H61 H -0.775 0.871 6.636 . . . 1.0 . . . . . . . . . . . . A . 8 DA H61 . . . . . . . . . rr_1b5k 1
. 1 . 237 . 1 1 8 DA H62 H -2.462 0.549 6.269 . . . 1.0 . . . . . . . . . . . . A . 8 DA H62 . . . . . . . . . rr_1b5k 1
. 1 . 238 . 1 1 8 DA H8 H -6.507 3.235 6.556 . . . 1.0 . . . . . . . . . . . . A . 8 DA H8 . . . . . . . . . rr_1b5k 1
. 1 . 239 . 1 1 8 DA N1 N -1.110 3.386 7.268 . . . 1.0 . . . . . . . . . . . . A . 8 DA N1 . . . . . . . . . rr_1b5k 1
. 1 . 240 . 1 1 8 DA N3 N -2.621 5.200 7.601 . . . 1.0 . . . . . . . . . . . . A . 8 DA N3 . . . . . . . . . rr_1b5k 1
. 1 . 241 . 1 1 8 DA N6 N -1.734 1.181 6.570 . . . 1.0 . . . . . . . . . . . . A . 8 DA N6 . . . . . . . . . rr_1b5k 1
. 1 . 242 . 1 1 8 DA N7 N -4.593 2.389 6.561 . . . 1.0 . . . . . . . . . . . . A . 8 DA N7 . . . . . . . . . rr_1b5k 1
. 1 . 243 . 1 1 8 DA N9 N -4.920 4.552 7.139 . . . 1.0 . . . . . . . . . . . . A . 8 DA N9 . . . . . . . . . rr_1b5k 1
. 1 . 244 . 1 1 8 DA O3' O -7.351 8.259 7.513 . . . 1.0 . . . . . . . . . . . . A . 8 DA O3' . . . . . . . . . rr_1b5k 1
. 1 . 245 . 1 1 8 DA O4' O -6.276 5.620 8.714 . . . 1.0 . . . . . . . . . . . . A . 8 DA O4' . . . . . . . . . rr_1b5k 1
. 1 . 246 . 1 1 8 DA O5' O -8.563 3.968 7.781 . . . 1.0 . . . . . . . . . . . . A . 8 DA O5' . . . . . . . . . rr_1b5k 1
. 1 . 247 . 1 1 8 DA OP1 O -11.022 3.448 7.777 . . . 1.0 . . . . . . . . . . . . A . 8 DA OP1 . . . . . . . . . rr_1b5k 1
. 1 . 248 . 1 1 8 DA OP2 O -9.395 2.132 6.306 . . . 1.0 . . . . . . . . . . . . A . 8 DA OP2 . . . . . . . . . rr_1b5k 1
. 1 . 249 . 1 1 8 DA P P -9.691 2.829 7.579 . . . 1.0 . . . . . . . . . . . . A . 8 DA P . . . . . . . . . rr_1b5k 1
. 1 . 250 . 1 1 9 DT C1' C -2.201 7.989 5.051 . . . 1.0 . . . . . . . . . . . . A . 9 DT C1' . . . . . . . . . rr_1b5k 1
. 1 . 251 . 1 1 9 DT C2 C -1.170 5.788 4.648 . . . 1.0 . . . . . . . . . . . . A . 9 DT C2 . . . . . . . . . rr_1b5k 1
. 1 . 252 . 1 1 9 DT C2' C -2.963 8.978 4.168 . . . 1.0 . . . . . . . . . . . . A . 9 DT C2' . . . . . . . . . rr_1b5k 1
. 1 . 253 . 1 1 9 DT C3' C -2.887 10.206 5.046 . . . 1.0 . . . . . . . . . . . . A . 9 DT C3' . . . . . . . . . rr_1b5k 1
. 1 . 254 . 1 1 9 DT C4 C -2.499 3.868 3.878 . . . 1.0 . . . . . . . . . . . . A . 9 DT C4 . . . . . . . . . rr_1b5k 1
. 1 . 255 . 1 1 9 DT C4' C -3.165 9.588 6.427 . . . 1.0 . . . . . . . . . . . . A . 9 DT C4' . . . . . . . . . rr_1b5k 1
. 1 . 256 . 1 1 9 DT C5 C -3.651 4.741 3.892 . . . 1.0 . . . . . . . . . . . . A . 9 DT C5 . . . . . . . . . rr_1b5k 1
. 1 . 257 . 1 1 9 DT C5' C -4.604 9.782 6.912 . . . 1.0 . . . . . . . . . . . . A . 9 DT C5' . . . . . . . . . rr_1b5k 1
. 1 . 258 . 1 1 9 DT C6 C -3.530 6.030 4.263 . . . 1.0 . . . . . . . . . . . . A . 9 DT C6 . . . . . . . . . rr_1b5k 1
. 1 . 259 . 1 1 9 DT C7 C -5.026 4.205 3.477 . . . 1.0 . . . . . . . . . . . . A . 9 DT C7 . . . . . . . . . rr_1b5k 1
. 1 . 260 . 1 1 9 DT H1' H -1.153 8.285 5.099 . . . 1.0 . . . . . . . . . . . . A . 9 DT H1' . . . . . . . . . rr_1b5k 1
. 1 . 261 . 1 1 9 DT H2' H -4.009 8.675 4.121 . . . 1.0 . . . . . . . . . . . . A . 9 DT H2' . . . . . . . . . rr_1b5k 1
. 1 . 262 . 1 1 9 DT H2'' H -2.530 9.106 3.176 . . . 1.0 . . . . . . . . . . . . A . 9 DT H2'' . . . . . . . . . rr_1b5k 1
. 1 . 263 . 1 1 9 DT H3 H -0.492 3.902 4.268 . . . 1.0 . . . . . . . . . . . . A . 9 DT H3 . . . . . . . . . rr_1b5k 1
. 1 . 264 . 1 1 9 DT H3' H -3.658 10.932 4.792 . . . 1.0 . . . . . . . . . . . . A . 9 DT H3' . . . . . . . . . rr_1b5k 1
. 1 . 265 . 1 1 9 DT H4' H -2.496 10.073 7.138 . . . 1.0 . . . . . . . . . . . . A . 9 DT H4' . . . . . . . . . rr_1b5k 1
. 1 . 266 . 1 1 9 DT H5' H -4.704 9.312 7.890 . . . 1.0 . . . . . . . . . . . . A . 9 DT H5' . . . . . . . . . rr_1b5k 1
. 1 . 267 . 1 1 9 DT H5'' H -4.799 10.850 7.012 . . . 1.0 . . . . . . . . . . . . A . 9 DT H5'' . . . . . . . . . rr_1b5k 1
. 1 . 268 . 1 1 9 DT H6 H -4.427 6.650 4.262 . . . 1.0 . . . . . . . . . . . . A . 9 DT H6 . . . . . . . . . rr_1b5k 1
. 1 . 269 . 1 1 9 DT H71 H -5.743 4.353 4.285 . . . 1.0 . . . . . . . . . . . . A . 9 DT H71 . . . . . . . . . rr_1b5k 1
. 1 . 270 . 1 1 9 DT H72 H -5.373 4.741 2.595 . . . 1.0 . . . . . . . . . . . . A . 9 DT H72 . . . . . . . . . rr_1b5k 1
. 1 . 271 . 1 1 9 DT H73 H -4.960 3.141 3.247 . . . 1.0 . . . . . . . . . . . . A . 9 DT H73 . . . . . . . . . rr_1b5k 1
. 1 . 272 . 1 1 9 DT N1 N -2.322 6.565 4.638 . . . 1.0 . . . . . . . . . . . . A . 9 DT N1 . . . . . . . . . rr_1b5k 1
. 1 . 273 . 1 1 9 DT N3 N -1.325 4.474 4.265 . . . 1.0 . . . . . . . . . . . . A . 9 DT N3 . . . . . . . . . rr_1b5k 1
. 1 . 274 . 1 1 9 DT O2 O -0.064 6.211 4.972 . . . 1.0 . . . . . . . . . . . . A . 9 DT O2 . . . . . . . . . rr_1b5k 1
. 1 . 275 . 1 1 9 DT O3' O -1.617 10.880 5.010 . . . 1.0 . . . . . . . . . . . . A . 9 DT O3' . . . . . . . . . rr_1b5k 1
. 1 . 276 . 1 1 9 DT O4 O -2.492 2.681 3.567 . . . 1.0 . . . . . . . . . . . . A . 9 DT O4 . . . . . . . . . rr_1b5k 1
. 1 . 277 . 1 1 9 DT O4' O -2.789 8.197 6.342 . . . 1.0 . . . . . . . . . . . . A . 9 DT O4' . . . . . . . . . rr_1b5k 1
. 1 . 278 . 1 1 9 DT O5' O -5.572 9.214 6.015 . . . 1.0 . . . . . . . . . . . . A . 9 DT O5' . . . . . . . . . rr_1b5k 1
. 1 . 279 . 1 1 9 DT OP1 O -7.451 10.670 6.836 . . . 1.0 . . . . . . . . . . . . A . 9 DT OP1 . . . . . . . . . rr_1b5k 1
. 1 . 280 . 1 1 9 DT OP2 O -7.877 8.826 5.114 . . . 1.0 . . . . . . . . . . . . A . 9 DT OP2 . . . . . . . . . rr_1b5k 1
. 1 . 281 . 1 1 9 DT P P -7.155 9.318 6.309 . . . 1.0 . . . . . . . . . . . . A . 9 DT P . . . . . . . . . rr_1b5k 1
. 1 . 282 . 1 1 10 DG C1' C 1.910 7.424 1.739 . . . 1.0 . . . . . . . . . . . . A . 10 DG C1' . . . . . . . . . rr_1b5k 1
. 1 . 283 . 1 1 10 DG C2 C 2.511 3.166 1.261 . . . 1.0 . . . . . . . . . . . . A . 10 DG C2 . . . . . . . . . rr_1b5k 1
. 1 . 284 . 1 1 10 DG C2' C 1.651 8.636 0.866 . . . 1.0 . . . . . . . . . . . . A . 10 DG C2' . . . . . . . . . rr_1b5k 1
. 1 . 285 . 1 1 10 DG C3' C 2.538 9.661 1.555 . . . 1.0 . . . . . . . . . . . . A . 10 DG C3' . . . . . . . . . rr_1b5k 1
. 1 . 286 . 1 1 10 DG C4 C 1.253 4.997 1.425 . . . 1.0 . . . . . . . . . . . . A . 10 DG C4 . . . . . . . . . rr_1b5k 1
. 1 . 287 . 1 1 10 DG C4' C 2.257 9.334 3.029 . . . 1.0 . . . . . . . . . . . . A . 10 DG C4' . . . . . . . . . rr_1b5k 1
. 1 . 288 . 1 1 10 DG C5 C 0.063 4.319 1.313 . . . 1.0 . . . . . . . . . . . . A . 10 DG C5 . . . . . . . . . rr_1b5k 1
. 1 . 289 . 1 1 10 DG C5' C 1.339 10.328 3.748 . . . 1.0 . . . . . . . . . . . . A . 10 DG C5' . . . . . . . . . rr_1b5k 1
. 1 . 290 . 1 1 10 DG C6 C 0.079 2.910 1.159 . . . 1.0 . . . . . . . . . . . . A . 10 DG C6 . . . . . . . . . rr_1b5k 1
. 1 . 291 . 1 1 10 DG C8 C -0.424 6.348 1.522 . . . 1.0 . . . . . . . . . . . . A . 10 DG C8 . . . . . . . . . rr_1b5k 1
. 1 . 292 . 1 1 10 DG H1 H 1.422 1.406 1.038 . . . 1.0 . . . . . . . . . . . . A . 10 DG H1 . . . . . . . . . rr_1b5k 1
. 1 . 293 . 1 1 10 DG H1' H 2.925 7.070 1.559 . . . 1.0 . . . . . . . . . . . . A . 10 DG H1' . . . . . . . . . rr_1b5k 1
. 1 . 294 . 1 1 10 DG H2' H 0.610 8.945 0.962 . . . 1.0 . . . . . . . . . . . . A . 10 DG H2' . . . . . . . . . rr_1b5k 1
. 1 . 295 . 1 1 10 DG H2'' H 1.857 8.519 -0.198 . . . 1.0 . . . . . . . . . . . . A . 10 DG H2'' . . . . . . . . . rr_1b5k 1
. 1 . 296 . 1 1 10 DG H21 H 3.780 1.479 1.170 . . . 1.0 . . . . . . . . . . . . A . 10 DG H21 . . . . . . . . . rr_1b5k 1
. 1 . 297 . 1 1 10 DG H22 H 4.601 3.046 1.212 . . . 1.0 . . . . . . . . . . . . A . 10 DG H22 . . . . . . . . . rr_1b5k 1
. 1 . 298 . 1 1 10 DG H3' H 2.268 10.692 1.327 . . . 1.0 . . . . . . . . . . . . A . 10 DG H3' . . . . . . . . . rr_1b5k 1
. 1 . 299 . 1 1 10 DG H4' H 3.222 9.357 3.535 . . . 1.0 . . . . . . . . . . . . A . 10 DG H4' . . . . . . . . . rr_1b5k 1
. 1 . 300 . 1 1 10 DG H5' H 1.213 9.991 4.778 . . . 1.0 . . . . . . . . . . . . A . 10 DG H5' . . . . . . . . . rr_1b5k 1
. 1 . 301 . 1 1 10 DG H5'' H 1.825 11.303 3.755 . . . 1.0 . . . . . . . . . . . . A . 10 DG H5'' . . . . . . . . . rr_1b5k 1
. 1 . 302 . 1 1 10 DG H8 H -0.990 7.276 1.602 . . . 1.0 . . . . . . . . . . . . A . 10 DG H8 . . . . . . . . . rr_1b5k 1
. 1 . 303 . 1 1 10 DG N1 N 1.367 2.409 1.143 . . . 1.0 . . . . . . . . . . . . A . 10 DG N1 . . . . . . . . . rr_1b5k 1
. 1 . 304 . 1 1 10 DG N2 N 3.759 2.488 1.209 . . . 1.0 . . . . . . . . . . . . A . 10 DG N2 . . . . . . . . . rr_1b5k 1
. 1 . 305 . 1 1 10 DG N3 N 2.503 4.488 1.407 . . . 1.0 . . . . . . . . . . . . A . 10 DG N3 . . . . . . . . . rr_1b5k 1
. 1 . 306 . 1 1 10 DG N7 N -1.016 5.200 1.377 . . . 1.0 . . . . . . . . . . . . A . 10 DG N7 . . . . . . . . . rr_1b5k 1
. 1 . 307 . 1 1 10 DG N9 N 0.939 6.323 1.563 . . . 1.0 . . . . . . . . . . . . A . 10 DG N9 . . . . . . . . . rr_1b5k 1
. 1 . 308 . 1 1 10 DG O3' O 3.947 9.515 1.302 . . . 1.0 . . . . . . . . . . . . A . 10 DG O3' . . . . . . . . . rr_1b5k 1
. 1 . 309 . 1 1 10 DG O4' O 1.792 7.967 3.062 . . . 1.0 . . . . . . . . . . . . A . 10 DG O4' . . . . . . . . . rr_1b5k 1
. 1 . 310 . 1 1 10 DG O5' O 0.044 10.460 3.141 . . . 1.0 . . . . . . . . . . . . A . 10 DG O5' . . . . . . . . . rr_1b5k 1
. 1 . 311 . 1 1 10 DG O6 O -0.868 2.138 1.052 . . . 1.0 . . . . . . . . . . . . A . 10 DG O6 . . . . . . . . . rr_1b5k 1
. 1 . 312 . 1 1 10 DG OP1 O -0.273 12.778 4.070 . . . 1.0 . . . . . . . . . . . . A . 10 DG OP1 . . . . . . . . . rr_1b5k 1
. 1 . 313 . 1 1 10 DG OP2 O -2.095 11.668 2.660 . . . 1.0 . . . . . . . . . . . . A . 10 DG OP2 . . . . . . . . . rr_1b5k 1
. 1 . 314 . 1 1 10 DG P P -1.015 11.560 3.669 . . . 1.0 . . . . . . . . . . . . A . 10 DG P . . . . . . . . . rr_1b5k 1
. 1 . 315 . 1 1 11 DC C1' C 4.884 4.569 -1.268 . . . 1.0 . . . . . . . . . . . . A . 11 DC C1' . . . . . . . . . rr_1b5k 1
. 1 . 316 . 1 1 11 DC C2 C 2.908 3.187 -1.759 . . . 1.0 . . . . . . . . . . . . A . 11 DC C2 . . . . . . . . . rr_1b5k 1
. 1 . 317 . 1 1 11 DC C2' C 5.588 5.626 -2.116 . . . 1.0 . . . . . . . . . . . . A . 11 DC C2' . . . . . . . . . rr_1b5k 1
. 1 . 318 . 1 1 11 DC C3' C 6.868 5.759 -1.322 . . . 1.0 . . . . . . . . . . . . A . 11 DC C3' . . . . . . . . . rr_1b5k 1
. 1 . 319 . 1 1 11 DC C4 C 0.778 4.125 -2.006 . . . 1.0 . . . . . . . . . . . . A . 11 DC C4 . . . . . . . . . rr_1b5k 1
. 1 . 320 . 1 1 11 DC C4' C 6.300 5.820 0.101 . . . 1.0 . . . . . . . . . . . . A . 11 DC C4' . . . . . . . . . rr_1b5k 1
. 1 . 321 . 1 1 11 DC C5 C 1.284 5.441 -1.773 . . . 1.0 . . . . . . . . . . . . A . 11 DC C5 . . . . . . . . . rr_1b5k 1
. 1 . 322 . 1 1 11 DC C5' C 5.948 7.240 0.558 . . . 1.0 . . . . . . . . . . . . A . 11 DC C5' . . . . . . . . . rr_1b5k 1
. 1 . 323 . 1 1 11 DC C6 C 2.609 5.563 -1.538 . . . 1.0 . . . . . . . . . . . . A . 11 DC C6 . . . . . . . . . rr_1b5k 1
. 1 . 324 . 1 1 11 DC H1' H 5.369 3.611 -1.458 . . . 1.0 . . . . . . . . . . . . A . 11 DC H1' . . . . . . . . . rr_1b5k 1
. 1 . 325 . 1 1 11 DC H2' H 5.047 6.568 -2.029 . . . 1.0 . . . . . . . . . . . . A . 11 DC H2' . . . . . . . . . rr_1b5k 1
. 1 . 326 . 1 1 11 DC H2'' H 5.716 5.327 -3.156 . . . 1.0 . . . . . . . . . . . . A . 11 DC H2'' . . . . . . . . . rr_1b5k 1
. 1 . 327 . 1 1 11 DC H3' H 7.416 6.669 -1.567 . . . 1.0 . . . . . . . . . . . . A . 11 DC H3' . . . . . . . . . rr_1b5k 1
. 1 . 328 . 1 1 11 DC H4' H 7.038 5.411 0.791 . . . 1.0 . . . . . . . . . . . . A . 11 DC H4' . . . . . . . . . rr_1b5k 1
. 1 . 329 . 1 1 11 DC H41 H -0.951 2.995 -2.416 . . . 1.0 . . . . . . . . . . . . A . 11 DC H41 . . . . . . . . . rr_1b5k 1
. 1 . 330 . 1 1 11 DC H42 H -1.242 4.726 -2.271 . . . 1.0 . . . . . . . . . . . . A . 11 DC H42 . . . . . . . . . rr_1b5k 1
. 1 . 331 . 1 1 11 DC H5 H 0.610 6.297 -1.792 . . . 1.0 . . . . . . . . . . . . A . 11 DC H5 . . . . . . . . . rr_1b5k 1
. 1 . 332 . 1 1 11 DC H5' H 5.556 7.188 1.574 . . . 1.0 . . . . . . . . . . . . A . 11 DC H5' . . . . . . . . . rr_1b5k 1
. 1 . 333 . 1 1 11 DC H5'' H 6.857 7.842 0.563 . . . 1.0 . . . . . . . . . . . . A . 11 DC H5'' . . . . . . . . . rr_1b5k 1
. 1 . 334 . 1 1 11 DC H6 H 3.021 6.554 -1.351 . . . 1.0 . . . . . . . . . . . . A . 11 DC H6 . . . . . . . . . rr_1b5k 1
. 1 . 335 . 1 1 11 DC HO3' H 7.271 3.861 -1.171 . . . 1.0 . . . . . . . . . . . . A . 11 DC HO3' . . . . . . . . . rr_1b5k 1
. 1 . 336 . 1 1 11 DC N1 N 3.425 4.458 -1.528 . . . 1.0 . . . . . . . . . . . . A . 11 DC N1 . . . . . . . . . rr_1b5k 1
. 1 . 337 . 1 1 11 DC N3 N 1.580 3.056 -1.994 . . . 1.0 . . . . . . . . . . . . A . 11 DC N3 . . . . . . . . . rr_1b5k 1
. 1 . 338 . 1 1 11 DC N4 N -0.615 3.935 -2.256 . . . 1.0 . . . . . . . . . . . . A . 11 DC N4 . . . . . . . . . rr_1b5k 1
. 1 . 339 . 1 1 11 DC O2 O 3.624 2.189 -1.753 . . . 1.0 . . . . . . . . . . . . A . 11 DC O2 . . . . . . . . . rr_1b5k 1
. 1 . 340 . 1 1 11 DC O3' O 7.743 4.636 -1.483 . . . 1.0 . . . . . . . . . . . . A . 11 DC O3' . . . . . . . . . rr_1b5k 1
. 1 . 341 . 1 1 11 DC O4' O 5.148 4.953 0.093 . . . 1.0 . . . . . . . . . . . . A . 11 DC O4' . . . . . . . . . rr_1b5k 1
. 1 . 342 . 1 1 11 DC O5' O 4.968 7.865 -0.287 . . . 1.0 . . . . . . . . . . . . A . 11 DC O5' . . . . . . . . . rr_1b5k 1
. 1 . 343 . 1 1 11 DC OP1 O 5.910 10.184 -0.117 . . . 1.0 . . . . . . . . . . . . A . 11 DC OP1 . . . . . . . . . rr_1b5k 1
. 1 . 344 . 1 1 11 DC OP2 O 3.624 9.767 -1.193 . . . 1.0 . . . . . . . . . . . . A . 11 DC OP2 . . . . . . . . . rr_1b5k 1
. 1 . 345 . 1 1 11 DC P P 4.632 9.437 -0.160 . . . 1.0 . . . . . . . . . . . . A . 11 DC P . . . . . . . . . rr_1b5k 1
. 1 . 346 . 2 2 1 DG C1' C 0.170 -4.777 -3.085 . . . 1.0 . . . . . . . . . . . . B . 1 DG C1' . . . . . . . . . rr_1b5k 1
. 1 . 347 . 2 2 1 DG C2 C 1.909 -0.864 -2.356 . . . 1.0 . . . . . . . . . . . . B . 1 DG C2 . . . . . . . . . rr_1b5k 1
. 1 . 348 . 2 2 1 DG C2' C -0.502 -5.752 -2.129 . . . 1.0 . . . . . . . . . . . . B . 1 DG C2' . . . . . . . . . rr_1b5k 1
. 1 . 349 . 2 2 1 DG C3' C 0.016 -7.059 -2.705 . . . 1.0 . . . . . . . . . . . . B . 1 DG C3' . . . . . . . . . rr_1b5k 1
. 1 . 350 . 2 2 1 DG C4 C 0.221 -2.251 -2.793 . . . 1.0 . . . . . . . . . . . . B . 1 DG C4 . . . . . . . . . rr_1b5k 1
. 1 . 351 . 2 2 1 DG C4' C -0.198 -6.800 -4.201 . . . 1.0 . . . . . . . . . . . . B . 1 DG C4' . . . . . . . . . rr_1b5k 1
. 1 . 352 . 2 2 1 DG C5 C -0.723 -1.253 -2.842 . . . 1.0 . . . . . . . . . . . . B . 1 DG C5 . . . . . . . . . rr_1b5k 1
. 1 . 353 . 2 2 1 DG C5' C -1.550 -7.286 -4.739 . . . 1.0 . . . . . . . . . . . . B . 1 DG C5' . . . . . . . . . rr_1b5k 1
. 1 . 354 . 2 2 1 DG C6 C -0.326 0.093 -2.627 . . . 1.0 . . . . . . . . . . . . B . 1 DG C6 . . . . . . . . . rr_1b5k 1
. 1 . 355 . 2 2 1 DG C8 C -1.739 -3.052 -3.210 . . . 1.0 . . . . . . . . . . . . B . 1 DG C8 . . . . . . . . . rr_1b5k 1
. 1 . 356 . 2 2 1 DG H1 H 1.353 1.142 -2.229 . . . 1.0 . . . . . . . . . . . . B . 1 DG H1 . . . . . . . . . rr_1b5k 1
. 1 . 357 . 2 2 1 DG H1' H 1.236 -4.729 -2.863 . . . 1.0 . . . . . . . . . . . . B . 1 DG H1' . . . . . . . . . rr_1b5k 1
. 1 . 358 . 2 2 1 DG H2' H -1.579 -5.684 -2.285 . . . 1.0 . . . . . . . . . . . . B . 1 DG H2' . . . . . . . . . rr_1b5k 1
. 1 . 359 . 2 2 1 DG H2'' H -0.241 -5.575 -1.086 . . . 1.0 . . . . . . . . . . . . B . 1 DG H2'' . . . . . . . . . rr_1b5k 1
. 1 . 360 . 2 2 1 DG H21 H 3.594 0.370 -2.028 . . . 1.0 . . . . . . . . . . . . B . 1 DG H21 . . . . . . . . . rr_1b5k 1
. 1 . 361 . 2 2 1 DG H22 H 3.882 -1.379 -1.931 . . . 1.0 . . . . . . . . . . . . B . 1 DG H22 . . . . . . . . . rr_1b5k 1
. 1 . 362 . 2 2 1 DG H3' H -0.538 -7.940 -2.380 . . . 1.0 . . . . . . . . . . . . B . 1 DG H3' . . . . . . . . . rr_1b5k 1
. 1 . 363 . 2 2 1 DG H4' H 0.596 -7.309 -4.748 . . . 1.0 . . . . . . . . . . . . B . 1 DG H4' . . . . . . . . . rr_1b5k 1
. 1 . 364 . 2 2 1 DG H5' H -1.592 -7.078 -5.808 . . . 1.0 . . . . . . . . . . . . B . 1 DG H5' . . . . . . . . . rr_1b5k 1
. 1 . 365 . 2 2 1 DG H5'' H -1.631 -8.362 -4.586 . . . 1.0 . . . . . . . . . . . . B . 1 DG H5'' . . . . . . . . . rr_1b5k 1
. 1 . 366 . 2 2 1 DG H8 H -2.528 -3.773 -3.423 . . . 1.0 . . . . . . . . . . . . B . 1 DG H8 . . . . . . . . . rr_1b5k 1
. 1 . 367 . 2 2 1 DG HO5' H -2.519 -5.693 -4.201 . . . 1.0 . . . . . . . . . . . . B . 1 DG HO5' . . . . . . . . . rr_1b5k 1
. 1 . 368 . 2 2 1 DG N1 N 1.032 0.198 -2.388 . . . 1.0 . . . . . . . . . . . . B . 1 DG N1 . . . . . . . . . rr_1b5k 1
. 1 . 369 . 2 2 1 DG N2 N 3.274 -0.586 -2.079 . . . 1.0 . . . . . . . . . . . . B . 1 DG N2 . . . . . . . . . rr_1b5k 1
. 1 . 370 . 2 2 1 DG N3 N 1.544 -2.129 -2.557 . . . 1.0 . . . . . . . . . . . . B . 1 DG N3 . . . . . . . . . rr_1b5k 1
. 1 . 371 . 2 2 1 DG N7 N -1.986 -1.779 -3.112 . . . 1.0 . . . . . . . . . . . . B . 1 DG N7 . . . . . . . . . rr_1b5k 1
. 1 . 372 . 2 2 1 DG N9 N -0.440 -3.430 -3.034 . . . 1.0 . . . . . . . . . . . . B . 1 DG N9 . . . . . . . . . rr_1b5k 1
. 1 . 373 . 2 2 1 DG O3' O 1.408 -7.313 -2.447 . . . 1.0 . . . . . . . . . . . . B . 1 DG O3' . . . . . . . . . rr_1b5k 1
. 1 . 374 . 2 2 1 DG O4' O -0.034 -5.375 -4.379 . . . 1.0 . . . . . . . . . . . . B . 1 DG O4' . . . . . . . . . rr_1b5k 1
. 1 . 375 . 2 2 1 DG O5' O -2.659 -6.638 -4.106 . . . 1.0 . . . . . . . . . . . . B . 1 DG O5' . . . . . . . . . rr_1b5k 1
. 1 . 376 . 2 2 1 DG O6 O -1.013 1.109 -2.630 . . . 1.0 . . . . . . . . . . . . B . 1 DG O6 . . . . . . . . . rr_1b5k 1
. 1 . 377 . 2 2 2 DC C1' C 3.837 -2.905 0.280 . . . 1.0 . . . . . . . . . . . . B . 2 DC C1' . . . . . . . . . rr_1b5k 1
. 1 . 378 . 2 2 2 DC C2 C 2.332 -1.009 0.750 . . . 1.0 . . . . . . . . . . . . B . 2 DC C2 . . . . . . . . . rr_1b5k 1
. 1 . 379 . 2 2 2 DC C2' C 4.129 -4.128 1.138 . . . 1.0 . . . . . . . . . . . . B . 2 DC C2' . . . . . . . . . rr_1b5k 1
. 1 . 380 . 2 2 2 DC C3' C 5.313 -4.690 0.378 . . . 1.0 . . . . . . . . . . . . B . 2 DC C3' . . . . . . . . . rr_1b5k 1
. 1 . 381 . 2 2 2 DC C4 C 0.005 -1.280 0.832 . . . 1.0 . . . . . . . . . . . . B . 2 DC C4 . . . . . . . . . rr_1b5k 1
. 1 . 382 . 2 2 2 DC C4' C 4.806 -4.546 -1.061 . . . 1.0 . . . . . . . . . . . . B . 2 DC C4' . . . . . . . . . rr_1b5k 1
. 1 . 383 . 2 2 2 DC C5 C 0.117 -2.675 0.553 . . . 1.0 . . . . . . . . . . . . B . 2 DC C5 . . . . . . . . . rr_1b5k 1
. 1 . 384 . 2 2 2 DC C5' C 4.046 -5.773 -1.583 . . . 1.0 . . . . . . . . . . . . B . 2 DC C5' . . . . . . . . . rr_1b5k 1
. 1 . 385 . 2 2 2 DC C6 C 1.358 -3.174 0.382 . . . 1.0 . . . . . . . . . . . . B . 2 DC C6 . . . . . . . . . rr_1b5k 1
. 1 . 386 . 2 2 2 DC H1' H 4.593 -2.158 0.523 . . . 1.0 . . . . . . . . . . . . B . 2 DC H1' . . . . . . . . . rr_1b5k 1
. 1 . 387 . 2 2 2 DC H2' H 3.302 -4.831 1.047 . . . 1.0 . . . . . . . . . . . . B . 2 DC H2' . . . . . . . . . rr_1b5k 1
. 1 . 388 . 2 2 2 DC H2'' H 4.327 -3.856 2.175 . . . 1.0 . . . . . . . . . . . . B . 2 DC H2'' . . . . . . . . . rr_1b5k 1
. 1 . 389 . 2 2 2 DC H3' H 5.503 -5.739 0.606 . . . 1.0 . . . . . . . . . . . . B . 2 DC H3' . . . . . . . . . rr_1b5k 1
. 1 . 390 . 2 2 2 DC H4' H 5.670 -4.389 -1.707 . . . 1.0 . . . . . . . . . . . . B . 2 DC H4' . . . . . . . . . rr_1b5k 1
. 1 . 391 . 2 2 2 DC H41 H -1.341 0.303 1.182 . . . 1.0 . . . . . . . . . . . . B . 2 DC H41 . . . . . . . . . rr_1b5k 1
. 1 . 392 . 2 2 2 DC H42 H -2.115 -1.266 0.979 . . . 1.0 . . . . . . . . . . . . B . 2 DC H42 . . . . . . . . . rr_1b5k 1
. 1 . 393 . 2 2 2 DC H5 H -0.767 -3.309 0.486 . . . 1.0 . . . . . . . . . . . . B . 2 DC H5 . . . . . . . . . rr_1b5k 1
. 1 . 394 . 2 2 2 DC H5' H 3.748 -5.582 -2.614 . . . 1.0 . . . . . . . . . . . . B . 2 DC H5' . . . . . . . . . rr_1b5k 1
. 1 . 395 . 2 2 2 DC H5'' H 4.714 -6.635 -1.562 . . . 1.0 . . . . . . . . . . . . B . 2 DC H5'' . . . . . . . . . rr_1b5k 1
. 1 . 396 . 2 2 2 DC H6 H 1.453 -4.237 0.163 . . . 1.0 . . . . . . . . . . . . B . 2 DC H6 . . . . . . . . . rr_1b5k 1
. 1 . 397 . 2 2 2 DC N1 N 2.464 -2.365 0.476 . . . 1.0 . . . . . . . . . . . . B . 2 DC N1 . . . . . . . . . rr_1b5k 1
. 1 . 398 . 2 2 2 DC N3 N 1.086 -0.502 0.922 . . . 1.0 . . . . . . . . . . . . B . 2 DC N3 . . . . . . . . . rr_1b5k 1
. 1 . 399 . 2 2 2 DC N4 N -1.284 -0.692 1.017 . . . 1.0 . . . . . . . . . . . . B . 2 DC N4 . . . . . . . . . rr_1b5k 1
. 1 . 400 . 2 2 2 DC O2 O 3.306 -0.268 0.840 . . . 1.0 . . . . . . . . . . . . B . 2 DC O2 . . . . . . . . . rr_1b5k 1
. 1 . 401 . 2 2 2 DC O3' O 6.552 -3.983 0.561 . . . 1.0 . . . . . . . . . . . . B . 2 DC O3' . . . . . . . . . rr_1b5k 1
. 1 . 402 . 2 2 2 DC O4' O 4.011 -3.345 -1.080 . . . 1.0 . . . . . . . . . . . . B . 2 DC O4' . . . . . . . . . rr_1b5k 1
. 1 . 403 . 2 2 2 DC O5' O 2.867 -6.062 -0.812 . . . 1.0 . . . . . . . . . . . . B . 2 DC O5' . . . . . . . . . rr_1b5k 1
. 1 . 404 . 2 2 2 DC OP1 O 3.030 -8.565 -1.002 . . . 1.0 . . . . . . . . . . . . B . 2 DC OP1 . . . . . . . . . rr_1b5k 1
. 1 . 405 . 2 2 2 DC OP2 O 0.966 -7.455 0.029 . . . 1.0 . . . . . . . . . . . . B . 2 DC OP2 . . . . . . . . . rr_1b5k 1
. 1 . 406 . 2 2 2 DC P P 2.058 -7.448 -0.972 . . . 1.0 . . . . . . . . . . . . B . 2 DC P . . . . . . . . . rr_1b5k 1
. 1 . 407 . 2 2 3 DA C1' C 5.647 0.802 3.948 . . . 1.0 . . . . . . . . . . . . B . 3 DA C1' . . . . . . . . . rr_1b5k 1
. 1 . 408 . 2 2 3 DA C2 C 2.093 3.321 4.327 . . . 1.0 . . . . . . . . . . . . B . 3 DA C2 . . . . . . . . . rr_1b5k 1
. 1 . 409 . 2 2 3 DA C2' C 6.448 -0.189 4.783 . . . 1.0 . . . . . . . . . . . . B . 3 DA C2' . . . . . . . . . rr_1b5k 1
. 1 . 410 . 2 2 3 DA C3' C 7.829 -0.007 4.180 . . . 1.0 . . . . . . . . . . . . B . 3 DA C3' . . . . . . . . . rr_1b5k 1
. 1 . 411 . 2 2 3 DA C4 C 3.169 1.415 4.078 . . . 1.0 . . . . . . . . . . . . B . 3 DA C4 . . . . . . . . . rr_1b5k 1
. 1 . 412 . 2 2 3 DA C4' C 7.482 0.089 2.689 . . . 1.0 . . . . . . . . . . . . B . 3 DA C4' . . . . . . . . . rr_1b5k 1
. 1 . 413 . 2 2 3 DA C5 C 2.005 0.694 3.997 . . . 1.0 . . . . . . . . . . . . B . 3 DA C5 . . . . . . . . . rr_1b5k 1
. 1 . 414 . 2 2 3 DA C5' C 7.711 -1.211 1.909 . . . 1.0 . . . . . . . . . . . . B . 3 DA C5' . . . . . . . . . rr_1b5k 1
. 1 . 415 . 2 2 3 DA C6 C 0.811 1.414 4.097 . . . 1.0 . . . . . . . . . . . . B . 3 DA C6 . . . . . . . . . rr_1b5k 1
. 1 . 416 . 2 2 3 DA C8 C 3.564 -0.691 3.810 . . . 1.0 . . . . . . . . . . . . B . 3 DA C8 . . . . . . . . . rr_1b5k 1
. 1 . 417 . 2 2 3 DA H1' H 5.856 1.822 4.269 . . . 1.0 . . . . . . . . . . . . B . 3 DA H1' . . . . . . . . . rr_1b5k 1
. 1 . 418 . 2 2 3 DA H2 H 2.092 4.402 4.463 . . . 1.0 . . . . . . . . . . . . B . 3 DA H2 . . . . . . . . . rr_1b5k 1
. 1 . 419 . 2 2 3 DA H2' H 6.089 -1.187 4.532 . . . 1.0 . . . . . . . . . . . . B . 3 DA H2' . . . . . . . . . rr_1b5k 1
. 1 . 420 . 2 2 3 DA H2'' H 6.380 0.005 5.854 . . . 1.0 . . . . . . . . . . . . B . 3 DA H2'' . . . . . . . . . rr_1b5k 1
. 1 . 421 . 2 2 3 DA H3' H 8.482 -0.862 4.361 . . . 1.0 . . . . . . . . . . . . B . 3 DA H3' . . . . . . . . . rr_1b5k 1
. 1 . 422 . 2 2 3 DA H4' H 8.134 0.850 2.262 . . . 1.0 . . . . . . . . . . . . B . 3 DA H4' . . . . . . . . . rr_1b5k 1
. 1 . 423 . 2 2 3 DA H5' H 7.427 -1.046 0.869 . . . 1.0 . . . . . . . . . . . . B . 3 DA H5' . . . . . . . . . rr_1b5k 1
. 1 . 424 . 2 2 3 DA H5'' H 8.773 -1.452 1.949 . . . 1.0 . . . . . . . . . . . . B . 3 DA H5'' . . . . . . . . . rr_1b5k 1
. 1 . 425 . 2 2 3 DA H61 H -1.304 1.360 4.046 . . . 1.0 . . . . . . . . . . . . B . 3 DA H61 . . . . . . . . . rr_1b5k 1
. 1 . 426 . 2 2 3 DA H62 H -0.531 -0.215 3.934 . . . 1.0 . . . . . . . . . . . . B . 3 DA H62 . . . . . . . . . rr_1b5k 1
. 1 . 427 . 2 2 3 DA H8 H 4.116 -1.622 3.691 . . . 1.0 . . . . . . . . . . . . B . 3 DA H8 . . . . . . . . . rr_1b5k 1
. 1 . 428 . 2 2 3 DA N1 N 0.899 2.742 4.264 . . . 1.0 . . . . . . . . . . . . B . 3 DA N1 . . . . . . . . . rr_1b5k 1
. 1 . 429 . 2 2 3 DA N3 N 3.286 2.751 4.245 . . . 1.0 . . . . . . . . . . . . B . 3 DA N3 . . . . . . . . . rr_1b5k 1
. 1 . 430 . 2 2 3 DA N6 N -0.471 0.790 4.018 . . . 1.0 . . . . . . . . . . . . B . 3 DA N6 . . . . . . . . . rr_1b5k 1
. 1 . 431 . 2 2 3 DA N7 N 2.266 -0.663 3.825 . . . 1.0 . . . . . . . . . . . . B . 3 DA N7 . . . . . . . . . rr_1b5k 1
. 1 . 432 . 2 2 3 DA N9 N 4.196 0.510 3.954 . . . 1.0 . . . . . . . . . . . . B . 3 DA N9 . . . . . . . . . rr_1b5k 1
. 1 . 433 . 2 2 3 DA O3' O 8.541 1.165 4.609 . . . 1.0 . . . . . . . . . . . . B . 3 DA O3' . . . . . . . . . rr_1b5k 1
. 1 . 434 . 2 2 3 DA O4' O 6.130 0.584 2.613 . . . 1.0 . . . . . . . . . . . . B . 3 DA O4' . . . . . . . . . rr_1b5k 1
. 1 . 435 . 2 2 3 DA O5' O 6.961 -2.321 2.428 . . . 1.0 . . . . . . . . . . . . B . 3 DA O5' . . . . . . . . . rr_1b5k 1
. 1 . 436 . 2 2 3 DA OP1 O 8.752 -3.959 1.757 . . . 1.0 . . . . . . . . . . . . B . 3 DA OP1 . . . . . . . . . rr_1b5k 1
. 1 . 437 . 2 2 3 DA OP2 O 6.638 -4.746 2.965 . . . 1.0 . . . . . . . . . . . . B . 3 DA OP2 . . . . . . . . . rr_1b5k 1
. 1 . 438 . 2 2 3 DA P P 7.294 -3.842 1.992 . . . 1.0 . . . . . . . . . . . . B . 3 DA P . . . . . . . . . rr_1b5k 1
. 1 . 439 . 2 2 4 DT C1' C 4.898 4.280 7.501 . . . 1.0 . . . . . . . . . . . . B . 4 DT C1' . . . . . . . . . rr_1b5k 1
. 1 . 440 . 2 2 4 DT C2 C 2.533 3.622 7.411 . . . 1.0 . . . . . . . . . . . . B . 4 DT C2 . . . . . . . . . rr_1b5k 1
. 1 . 441 . 2 2 4 DT C2' C 5.949 4.034 8.584 . . . 1.0 . . . . . . . . . . . . B . 4 DT C2' . . . . . . . . . rr_1b5k 1
. 1 . 442 . 2 2 4 DT C3' C 7.006 5.014 8.137 . . . 1.0 . . . . . . . . . . . . B . 4 DT C3' . . . . . . . . . rr_1b5k 1
. 1 . 443 . 2 2 4 DT C4 C 1.855 1.262 7.303 . . . 1.0 . . . . . . . . . . . . B . 4 DT C4 . . . . . . . . . rr_1b5k 1
. 1 . 444 . 2 2 4 DT C4' C 6.976 4.809 6.614 . . . 1.0 . . . . . . . . . . . . B . 4 DT C4' . . . . . . . . . rr_1b5k 1
. 1 . 445 . 2 2 4 DT C5 C 3.258 0.921 7.334 . . . 1.0 . . . . . . . . . . . . B . 4 DT C5 . . . . . . . . . rr_1b5k 1
. 1 . 446 . 2 2 4 DT C5' C 8.079 3.898 6.079 . . . 1.0 . . . . . . . . . . . . B . 4 DT C5' . . . . . . . . . rr_1b5k 1
. 1 . 447 . 2 2 4 DT C6 C 4.197 1.886 7.397 . . . 1.0 . . . . . . . . . . . . B . 4 DT C6 . . . . . . . . . rr_1b5k 1
. 1 . 448 . 2 2 4 DT C7 C 3.685 -0.551 7.302 . . . 1.0 . . . . . . . . . . . . B . 4 DT C7 . . . . . . . . . rr_1b5k 1
. 1 . 449 . 2 2 4 DT H1' H 4.444 5.262 7.638 . . . 1.0 . . . . . . . . . . . . B . 4 DT H1' . . . . . . . . . rr_1b5k 1
. 1 . 450 . 2 2 4 DT H2' H 6.374 3.039 8.448 . . . 1.0 . . . . . . . . . . . . B . 4 DT H2' . . . . . . . . . rr_1b5k 1
. 1 . 451 . 2 2 4 DT H2'' H 5.583 4.182 9.600 . . . 1.0 . . . . . . . . . . . . B . 4 DT H2'' . . . . . . . . . rr_1b5k 1
. 1 . 452 . 2 2 4 DT H3 H 0.635 2.907 7.329 . . . 1.0 . . . . . . . . . . . . B . 4 DT H3 . . . . . . . . . rr_1b5k 1
. 1 . 453 . 2 2 4 DT H3' H 7.981 4.740 8.539 . . . 1.0 . . . . . . . . . . . . B . 4 DT H3' . . . . . . . . . rr_1b5k 1
. 1 . 454 . 2 2 4 DT H4' H 7.088 5.790 6.152 . . . 1.0 . . . . . . . . . . . . B . 4 DT H4' . . . . . . . . . rr_1b5k 1
. 1 . 455 . 2 2 4 DT H5' H 7.978 3.844 4.995 . . . 1.0 . . . . . . . . . . . . B . 4 DT H5' . . . . . . . . . rr_1b5k 1
. 1 . 456 . 2 2 4 DT H5'' H 9.049 4.332 6.321 . . . 1.0 . . . . . . . . . . . . B . 4 DT H5'' . . . . . . . . . rr_1b5k 1
. 1 . 457 . 2 2 4 DT H6 H 5.245 1.586 7.414 . . . 1.0 . . . . . . . . . . . . B . 4 DT H6 . . . . . . . . . rr_1b5k 1
. 1 . 458 . 2 2 4 DT H71 H 4.320 -0.738 6.436 . . . 1.0 . . . . . . . . . . . . B . 4 DT H71 . . . . . . . . . rr_1b5k 1
. 1 . 459 . 2 2 4 DT H72 H 4.240 -0.788 8.209 . . . 1.0 . . . . . . . . . . . . B . 4 DT H72 . . . . . . . . . rr_1b5k 1
. 1 . 460 . 2 2 4 DT H73 H 2.807 -1.194 7.244 . . . 1.0 . . . . . . . . . . . . B . 4 DT H73 . . . . . . . . . rr_1b5k 1
. 1 . 461 . 2 2 4 DT N1 N 3.860 3.220 7.436 . . . 1.0 . . . . . . . . . . . . B . 4 DT N1 . . . . . . . . . rr_1b5k 1
. 1 . 462 . 2 2 4 DT N3 N 1.601 2.614 7.346 . . . 1.0 . . . . . . . . . . . . B . 4 DT N3 . . . . . . . . . rr_1b5k 1
. 1 . 463 . 2 2 4 DT O2 O 2.173 4.796 7.445 . . . 1.0 . . . . . . . . . . . . B . 4 DT O2 . . . . . . . . . rr_1b5k 1
. 1 . 464 . 2 2 4 DT O3' O 6.742 6.384 8.480 . . . 1.0 . . . . . . . . . . . . B . 4 DT O3' . . . . . . . . . rr_1b5k 1
. 1 . 465 . 2 2 4 DT O4 O 0.918 0.473 7.236 . . . 1.0 . . . . . . . . . . . . B . 4 DT O4 . . . . . . . . . rr_1b5k 1
. 1 . 466 . 2 2 4 DT O4' O 5.662 4.312 6.289 . . . 1.0 . . . . . . . . . . . . B . 4 DT O4' . . . . . . . . . rr_1b5k 1
. 1 . 467 . 2 2 4 DT O5' O 8.005 2.569 6.618 . . . 1.0 . . . . . . . . . . . . B . 4 DT O5' . . . . . . . . . rr_1b5k 1
. 1 . 468 . 2 2 4 DT OP1 O 10.390 1.987 6.093 . . . 1.0 . . . . . . . . . . . . B . 4 DT OP1 . . . . . . . . . rr_1b5k 1
. 1 . 469 . 2 2 4 DT OP2 O 8.756 0.206 6.936 . . . 1.0 . . . . . . . . . . . . B . 4 DT OP2 . . . . . . . . . rr_1b5k 1
. 1 . 470 . 2 2 4 DT P P 9.023 1.420 6.132 . . . 1.0 . . . . . . . . . . . . B . 4 DT P . . . . . . . . . rr_1b5k 1
. 1 . 471 . 2 2 5 DG C1' C 1.513 6.579 11.071 . . . 1.0 . . . . . . . . . . . . B . 5 DG C1' . . . . . . . . . rr_1b5k 1
. 1 . 472 . 2 2 5 DG C2 C -1.871 3.864 10.511 . . . 1.0 . . . . . . . . . . . . B . 5 DG C2 . . . . . . . . . rr_1b5k 1
. 1 . 473 . 2 2 5 DG C2' C 2.557 6.972 12.110 . . . 1.0 . . . . . . . . . . . . B . 5 DG C2' . . . . . . . . . rr_1b5k 1
. 1 . 474 . 2 2 5 DG C3' C 2.803 8.420 11.719 . . . 1.0 . . . . . . . . . . . . B . 5 DG C3' . . . . . . . . . rr_1b5k 1
. 1 . 475 . 2 2 5 DG C4 C 0.300 4.370 10.651 . . . 1.0 . . . . . . . . . . . . B . 5 DG C4 . . . . . . . . . rr_1b5k 1
. 1 . 476 . 2 2 5 DG C4' C 2.860 8.287 10.196 . . . 1.0 . . . . . . . . . . . . B . 5 DG C4' . . . . . . . . . rr_1b5k 1
. 1 . 477 . 2 2 5 DG C5 C 0.720 3.085 10.395 . . . 1.0 . . . . . . . . . . . . B . 5 DG C5 . . . . . . . . . rr_1b5k 1
. 1 . 478 . 2 2 5 DG C5' C 4.285 8.161 9.641 . . . 1.0 . . . . . . . . . . . . B . 5 DG C5' . . . . . . . . . rr_1b5k 1
. 1 . 479 . 2 2 5 DG C6 C -0.243 2.069 10.169 . . . 1.0 . . . . . . . . . . . . B . 5 DG C6 . . . . . . . . . rr_1b5k 1
. 1 . 480 . 2 2 5 DG C8 C 2.455 4.230 10.661 . . . 1.0 . . . . . . . . . . . . B . 5 DG C8 . . . . . . . . . rr_1b5k 1
. 1 . 481 . 2 2 5 DG H1 H -2.247 1.860 10.076 . . . 1.0 . . . . . . . . . . . . B . 5 DG H1 . . . . . . . . . rr_1b5k 1
. 1 . 482 . 2 2 5 DG H1' H 0.540 6.994 11.334 . . . 1.0 . . . . . . . . . . . . B . 5 DG H1' . . . . . . . . . rr_1b5k 1
. 1 . 483 . 2 2 5 DG H2' H 3.456 6.391 11.905 . . . 1.0 . . . . . . . . . . . . B . 5 DG H2' . . . . . . . . . rr_1b5k 1
. 1 . 484 . 2 2 5 DG H2'' H 2.216 6.829 13.135 . . . 1.0 . . . . . . . . . . . . B . 5 DG H2'' . . . . . . . . . rr_1b5k 1
. 1 . 485 . 2 2 5 DG H21 H -3.932 3.449 10.365 . . . 1.0 . . . . . . . . . . . . B . 5 DG H21 . . . . . . . . . rr_1b5k 1
. 1 . 486 . 2 2 5 DG H22 H -3.542 5.116 10.794 . . . 1.0 . . . . . . . . . . . . B . 5 DG H22 . . . . . . . . . rr_1b5k 1
. 1 . 487 . 2 2 5 DG H3' H 3.744 8.813 12.103 . . . 1.0 . . . . . . . . . . . . B . 5 DG H3' . . . . . . . . . rr_1b5k 1
. 1 . 488 . 2 2 5 DG H4' H 2.417 9.188 9.773 . . . 1.0 . . . . . . . . . . . . B . 5 DG H4' . . . . . . . . . rr_1b5k 1
. 1 . 489 . 2 2 5 DG H5' H 4.227 8.047 8.559 . . . 1.0 . . . . . . . . . . . . B . 5 DG H5' . . . . . . . . . rr_1b5k 1
. 1 . 490 . 2 2 5 DG H5'' H 4.822 9.082 9.870 . . . 1.0 . . . . . . . . . . . . B . 5 DG H5'' . . . . . . . . . rr_1b5k 1
. 1 . 491 . 2 2 5 DG H8 H 3.497 4.538 10.749 . . . 1.0 . . . . . . . . . . . . B . 5 DG H8 . . . . . . . . . rr_1b5k 1
. 1 . 492 . 2 2 5 DG N1 N -1.534 2.554 10.246 . . . 1.0 . . . . . . . . . . . . B . 5 DG N1 . . . . . . . . . rr_1b5k 1
. 1 . 493 . 2 2 5 DG N2 N -3.259 4.175 10.562 . . . 1.0 . . . . . . . . . . . . B . 5 DG N2 . . . . . . . . . rr_1b5k 1
. 1 . 494 . 2 2 5 DG N3 N -0.972 4.826 10.724 . . . 1.0 . . . . . . . . . . . . B . 5 DG N3 . . . . . . . . . rr_1b5k 1
. 1 . 495 . 2 2 5 DG N7 N 2.112 3.004 10.404 . . . 1.0 . . . . . . . . . . . . B . 5 DG N7 . . . . . . . . . rr_1b5k 1
. 1 . 496 . 2 2 5 DG N9 N 1.438 5.123 10.823 . . . 1.0 . . . . . . . . . . . . B . 5 DG N9 . . . . . . . . . rr_1b5k 1
. 1 . 497 . 2 2 5 DG O3' O 1.761 9.334 12.095 . . . 1.0 . . . . . . . . . . . . B . 5 DG O3' . . . . . . . . . rr_1b5k 1
. 1 . 498 . 2 2 5 DG O4' O 2.004 7.178 9.859 . . . 1.0 . . . . . . . . . . . . B . 5 DG O4' . . . . . . . . . rr_1b5k 1
. 1 . 499 . 2 2 5 DG O5' O 5.010 7.050 10.194 . . . 1.0 . . . . . . . . . . . . B . 5 DG O5' . . . . . . . . . rr_1b5k 1
. 1 . 500 . 2 2 5 DG O6 O -0.062 0.882 9.916 . . . 1.0 . . . . . . . . . . . . B . 5 DG O6 . . . . . . . . . rr_1b5k 1
. 1 . 501 . 2 2 5 DG OP1 O 7.212 8.260 10.072 . . . 1.0 . . . . . . . . . . . . B . 5 DG OP1 . . . . . . . . . rr_1b5k 1
. 1 . 502 . 2 2 5 DG OP2 O 7.083 5.851 10.922 . . . 1.0 . . . . . . . . . . . . B . 5 DG OP2 . . . . . . . . . rr_1b5k 1
. 1 . 503 . 2 2 5 DG P P 6.606 6.910 10.003 . . . 1.0 . . . . . . . . . . . . B . 5 DG P . . . . . . . . . rr_1b5k 1
. 1 . 504 . 2 2 6 DT C1' C -2.548 6.615 14.200 . . . 1.0 . . . . . . . . . . . . B . 6 DT C1' . . . . . . . . . rr_1b5k 1
. 1 . 505 . 2 2 6 DT C2 C -2.468 4.191 13.748 . . . 1.0 . . . . . . . . . . . . B . 6 DT C2 . . . . . . . . . rr_1b5k 1
. 1 . 506 . 2 2 6 DT C2' C -2.138 7.543 15.351 . . . 1.0 . . . . . . . . . . . . B . 6 DT C2' . . . . . . . . . rr_1b5k 1
. 1 . 507 . 2 2 6 DT C3' C -2.828 8.819 14.921 . . . 1.0 . . . . . . . . . . . . B . 6 DT C3' . . . . . . . . . rr_1b5k 1
. 1 . 508 . 2 2 6 DT C4 C -0.355 2.930 13.802 . . . 1.0 . . . . . . . . . . . . B . 6 DT C4 . . . . . . . . . rr_1b5k 1
. 1 . 509 . 2 2 6 DT C4' C -2.491 8.812 13.422 . . . 1.0 . . . . . . . . . . . . B . 6 DT C4' . . . . . . . . . rr_1b5k 1
. 1 . 510 . 2 2 6 DT C5 C 0.300 4.170 14.135 . . . 1.0 . . . . . . . . . . . . B . 6 DT C5 . . . . . . . . . rr_1b5k 1
. 1 . 511 . 2 2 6 DT C5' C -1.214 9.590 13.093 . . . 1.0 . . . . . . . . . . . . B . 6 DT C5' . . . . . . . . . rr_1b5k 1
. 1 . 512 . 2 2 6 DT C6 C -0.403 5.313 14.256 . . . 1.0 . . . . . . . . . . . . B . 6 DT C6 . . . . . . . . . rr_1b5k 1
. 1 . 513 . 2 2 6 DT C7 C 1.817 4.180 14.358 . . . 1.0 . . . . . . . . . . . . B . 6 DT C7 . . . . . . . . . rr_1b5k 1
. 1 . 514 . 2 2 6 DT H1' H -3.608 6.391 14.315 . . . 1.0 . . . . . . . . . . . . B . 6 DT H1' . . . . . . . . . rr_1b5k 1
. 1 . 515 . 2 2 6 DT H2' H -1.067 7.737 15.297 . . . 1.0 . . . . . . . . . . . . B . 6 DT H2' . . . . . . . . . rr_1b5k 1
. 1 . 516 . 2 2 6 DT H2'' H -2.433 7.180 16.335 . . . 1.0 . . . . . . . . . . . . B . 6 DT H2'' . . . . . . . . . rr_1b5k 1
. 1 . 517 . 2 2 6 DT H3 H -2.209 2.189 13.386 . . . 1.0 . . . . . . . . . . . . B . 6 DT H3 . . . . . . . . . rr_1b5k 1
. 1 . 518 . 2 2 6 DT H3' H -2.404 9.704 15.395 . . . 1.0 . . . . . . . . . . . . B . 6 DT H3' . . . . . . . . . rr_1b5k 1
. 1 . 519 . 2 2 6 DT H4' H -3.322 9.264 12.881 . . . 1.0 . . . . . . . . . . . . B . 6 DT H4' . . . . . . . . . rr_1b5k 1
. 1 . 520 . 2 2 6 DT H5' H -1.044 9.537 12.017 . . . 1.0 . . . . . . . . . . . . B . 6 DT H5' . . . . . . . . . rr_1b5k 1
. 1 . 521 . 2 2 6 DT H5'' H -1.351 10.633 13.379 . . . 1.0 . . . . . . . . . . . . B . 6 DT H5'' . . . . . . . . . rr_1b5k 1
. 1 . 522 . 2 2 6 DT H6 H 0.154 6.217 14.503 . . . 1.0 . . . . . . . . . . . . B . 6 DT H6 . . . . . . . . . rr_1b5k 1
. 1 . 523 . 2 2 6 DT H71 H 2.039 4.594 15.342 . . . 1.0 . . . . . . . . . . . . B . 6 DT H71 . . . . . . . . . rr_1b5k 1
. 1 . 524 . 2 2 6 DT H72 H 2.209 3.165 14.301 . . . 1.0 . . . . . . . . . . . . B . 6 DT H72 . . . . . . . . . rr_1b5k 1
. 1 . 525 . 2 2 6 DT H73 H 2.303 4.784 13.592 . . . 1.0 . . . . . . . . . . . . B . 6 DT H73 . . . . . . . . . rr_1b5k 1
. 1 . 526 . 2 2 6 DT N1 N -1.767 5.349 14.070 . . . 1.0 . . . . . . . . . . . . B . 6 DT N1 . . . . . . . . . rr_1b5k 1
. 1 . 527 . 2 2 6 DT N3 N -1.718 3.038 13.630 . . . 1.0 . . . . . . . . . . . . B . 6 DT N3 . . . . . . . . . rr_1b5k 1
. 1 . 528 . 2 2 6 DT O2 O -3.684 4.157 13.573 . . . 1.0 . . . . . . . . . . . . B . 6 DT O2 . . . . . . . . . rr_1b5k 1
. 1 . 529 . 2 2 6 DT O3' O -4.244 8.840 15.163 . . . 1.0 . . . . . . . . . . . . B . 6 DT O3' . . . . . . . . . rr_1b5k 1
. 1 . 530 . 2 2 6 DT O4 O 0.202 1.843 13.673 . . . 1.0 . . . . . . . . . . . . B . 6 DT O4 . . . . . . . . . rr_1b5k 1
. 1 . 531 . 2 2 6 DT O4' O -2.387 7.427 13.027 . . . 1.0 . . . . . . . . . . . . B . 6 DT O4' . . . . . . . . . rr_1b5k 1
. 1 . 532 . 2 2 6 DT O5' O -0.068 9.058 13.778 . . . 1.0 . . . . . . . . . . . . B . 6 DT O5' . . . . . . . . . rr_1b5k 1
. 1 . 533 . 2 2 6 DT OP1 O 1.270 11.182 13.718 . . . 1.0 . . . . . . . . . . . . B . 6 DT OP1 . . . . . . . . . rr_1b5k 1
. 1 . 534 . 2 2 6 DT OP2 O 2.314 8.991 14.535 . . . 1.0 . . . . . . . . . . . . B . 6 DT OP2 . . . . . . . . . rr_1b5k 1
. 1 . 535 . 2 2 6 DT P P 1.395 9.710 13.622 . . . 1.0 . . . . . . . . . . . . B . 6 DT P . . . . . . . . . rr_1b5k 1
. 1 . 536 . 2 2 7 DG C1' C -5.920 3.921 17.125 . . . 1.0 . . . . . . . . . . . . B . 7 DG C1' . . . . . . . . . rr_1b5k 1
. 1 . 537 . 2 2 7 DG C2 C -4.185 0.152 15.897 . . . 1.0 . . . . . . . . . . . . B . 7 DG C2 . . . . . . . . . rr_1b5k 1
. 1 . 538 . 2 2 7 DG C2' C -6.222 4.754 18.362 . . . 1.0 . . . . . . . . . . . . B . 7 DG C2' . . . . . . . . . rr_1b5k 1
. 1 . 539 . 2 2 7 DG C3' C -7.521 5.422 17.918 . . . 1.0 . . . . . . . . . . . . B . 7 DG C3' . . . . . . . . . rr_1b5k 1
. 1 . 540 . 2 2 7 DG C4 C -4.076 2.256 16.616 . . . 1.0 . . . . . . . . . . . . B . 7 DG C4 . . . . . . . . . rr_1b5k 1
. 1 . 541 . 2 2 7 DG C4' C -7.196 5.761 16.459 . . . 1.0 . . . . . . . . . . . . B . 7 DG C4' . . . . . . . . . rr_1b5k 1
. 1 . 542 . 2 2 7 DG C5 C -2.703 2.284 16.653 . . . 1.0 . . . . . . . . . . . . B . 7 DG C5 . . . . . . . . . rr_1b5k 1
. 1 . 543 . 2 2 7 DG C5' C -6.771 7.206 16.200 . . . 1.0 . . . . . . . . . . . . B . 7 DG C5' . . . . . . . . . rr_1b5k 1
. 1 . 544 . 2 2 7 DG C6 C -1.974 1.131 16.273 . . . 1.0 . . . . . . . . . . . . B . 7 DG C6 . . . . . . . . . rr_1b5k 1
. 1 . 545 . 2 2 7 DG C8 C -3.354 4.170 17.286 . . . 1.0 . . . . . . . . . . . . B . 7 DG C8 . . . . . . . . . rr_1b5k 1
. 1 . 546 . 2 2 7 DG H1 H -2.308 -0.746 15.638 . . . 1.0 . . . . . . . . . . . . B . 7 DG H1 . . . . . . . . . rr_1b5k 1
. 1 . 547 . 2 2 7 DG H1' H -6.596 3.067 17.079 . . . 1.0 . . . . . . . . . . . . B . 7 DG H1' . . . . . . . . . rr_1b5k 1
. 1 . 548 . 2 2 7 DG H2' H -5.440 5.508 18.447 . . . 1.0 . . . . . . . . . . . . B . 7 DG H2' . . . . . . . . . rr_1b5k 1
. 1 . 549 . 2 2 7 DG H2'' H -6.298 4.132 19.254 . . . 1.0 . . . . . . . . . . . . B . 7 DG H2'' . . . . . . . . . rr_1b5k 1
. 1 . 550 . 2 2 7 DG H21 H -4.426 -1.811 15.141 . . . 1.0 . . . . . . . . . . . . B . 7 DG H21 . . . . . . . . . rr_1b5k 1
. 1 . 551 . 2 2 7 DG H22 H -5.916 -0.991 15.612 . . . 1.0 . . . . . . . . . . . . B . 7 DG H22 . . . . . . . . . rr_1b5k 1
. 1 . 552 . 2 2 7 DG H3' H -7.773 6.325 18.474 . . . 1.0 . . . . . . . . . . . . B . 7 DG H3' . . . . . . . . . rr_1b5k 1
. 1 . 553 . 2 2 7 DG H4' H -8.100 5.570 15.880 . . . 1.0 . . . . . . . . . . . . B . 7 DG H4' . . . . . . . . . rr_1b5k 1
. 1 . 554 . 2 2 7 DG H5' H -6.601 7.319 15.129 . . . 1.0 . . . . . . . . . . . . B . 7 DG H5' . . . . . . . . . rr_1b5k 1
. 1 . 555 . 2 2 7 DG H5'' H -7.582 7.870 16.500 . . . 1.0 . . . . . . . . . . . . B . 7 DG H5'' . . . . . . . . . rr_1b5k 1
. 1 . 556 . 2 2 7 DG H8 H -3.354 5.199 17.648 . . . 1.0 . . . . . . . . . . . . B . 7 DG H8 . . . . . . . . . rr_1b5k 1
. 1 . 557 . 2 2 7 DG N1 N -2.805 0.092 15.904 . . . 1.0 . . . . . . . . . . . . B . 7 DG N1 . . . . . . . . . rr_1b5k 1
. 1 . 558 . 2 2 7 DG N2 N -4.912 -1.005 15.508 . . . 1.0 . . . . . . . . . . . . B . 7 DG N2 . . . . . . . . . rr_1b5k 1
. 1 . 559 . 2 2 7 DG N3 N -4.874 1.232 16.250 . . . 1.0 . . . . . . . . . . . . B . 7 DG N3 . . . . . . . . . rr_1b5k 1
. 1 . 560 . 2 2 7 DG N7 N -2.243 3.525 17.087 . . . 1.0 . . . . . . . . . . . . B . 7 DG N7 . . . . . . . . . rr_1b5k 1
. 1 . 561 . 2 2 7 DG N9 N -4.508 3.487 17.028 . . . 1.0 . . . . . . . . . . . . B . 7 DG N9 . . . . . . . . . rr_1b5k 1
. 1 . 562 . 2 2 7 DG O3' O -8.684 4.581 17.949 . . . 1.0 . . . . . . . . . . . . B . 7 DG O3' . . . . . . . . . rr_1b5k 1
. 1 . 563 . 2 2 7 DG O4' O -6.199 4.811 16.033 . . . 1.0 . . . . . . . . . . . . B . 7 DG O4' . . . . . . . . . rr_1b5k 1
. 1 . 564 . 2 2 7 DG O5' O -5.574 7.578 16.899 . . . 1.0 . . . . . . . . . . . . B . 7 DG O5' . . . . . . . . . rr_1b5k 1
. 1 . 565 . 2 2 7 DG O6 O -0.760 0.967 16.236 . . . 1.0 . . . . . . . . . . . . B . 7 DG O6 . . . . . . . . . rr_1b5k 1
. 1 . 566 . 2 2 7 DG OP1 O -5.939 10.042 16.571 . . . 1.0 . . . . . . . . . . . . B . 7 DG OP1 . . . . . . . . . rr_1b5k 1
. 1 . 567 . 2 2 7 DG OP2 O -3.782 9.162 17.628 . . . 1.0 . . . . . . . . . . . . B . 7 DG OP2 . . . . . . . . . rr_1b5k 1
. 1 . 568 . 2 2 7 DG P P -4.879 9.010 16.644 . . . 1.0 . . . . . . . . . . . . B . 7 DG P . . . . . . . . . rr_1b5k 1
. 1 . 569 . 2 2 8 DT C1' C -6.809 -0.703 18.748 . . . 1.0 . . . . . . . . . . . . B . 8 DT C1' . . . . . . . . . rr_1b5k 1
. 1 . 570 . 2 2 8 DT C2 C -4.369 -1.027 18.739 . . . 1.0 . . . . . . . . . . . . B . 8 DT C2 . . . . . . . . . rr_1b5k 1
. 1 . 571 . 2 2 8 DT C2' C -7.840 -0.453 19.850 . . . 1.0 . . . . . . . . . . . . B . 8 DT C2' . . . . . . . . . rr_1b5k 1
. 1 . 572 . 2 2 8 DT C3' C -9.116 -0.673 19.061 . . . 1.0 . . . . . . . . . . . . B . 8 DT C3' . . . . . . . . . rr_1b5k 1
. 1 . 573 . 2 2 8 DT C4 C -2.826 0.711 19.537 . . . 1.0 . . . . . . . . . . . . B . 8 DT C4 . . . . . . . . . rr_1b5k 1
. 1 . 574 . 2 2 8 DT C4' C -8.774 0.085 17.774 . . . 1.0 . . . . . . . . . . . . B . 8 DT C4' . . . . . . . . . rr_1b5k 1
. 1 . 575 . 2 2 8 DT C5 C -3.987 1.521 19.827 . . . 1.0 . . . . . . . . . . . . B . 8 DT C5 . . . . . . . . . rr_1b5k 1
. 1 . 576 . 2 2 8 DT C5' C -9.264 1.535 17.796 . . . 1.0 . . . . . . . . . . . . B . 8 DT C5' . . . . . . . . . rr_1b5k 1
. 1 . 577 . 2 2 8 DT C6 C -5.230 1.061 19.576 . . . 1.0 . . . . . . . . . . . . B . 8 DT C6 . . . . . . . . . rr_1b5k 1
. 1 . 578 . 2 2 8 DT C7 C -3.802 2.916 20.435 . . . 1.0 . . . . . . . . . . . . B . 8 DT C7 . . . . . . . . . rr_1b5k 1
. 1 . 579 . 2 2 8 DT H1' H -6.785 -1.772 18.535 . . . 1.0 . . . . . . . . . . . . B . 8 DT H1' . . . . . . . . . rr_1b5k 1
. 1 . 580 . 2 2 8 DT H2' H -7.803 0.600 20.129 . . . 1.0 . . . . . . . . . . . . B . 8 DT H2' . . . . . . . . . rr_1b5k 1
. 1 . 581 . 2 2 8 DT H2'' H -7.722 -1.099 20.720 . . . 1.0 . . . . . . . . . . . . B . 8 DT H2'' . . . . . . . . . rr_1b5k 1
. 1 . 582 . 2 2 8 DT H3 H -2.331 -1.122 18.782 . . . 1.0 . . . . . . . . . . . . B . 8 DT H3 . . . . . . . . . rr_1b5k 1
. 1 . 583 . 2 2 8 DT H3' H -9.987 -0.219 19.534 . . . 1.0 . . . . . . . . . . . . B . 8 DT H3' . . . . . . . . . rr_1b5k 1
. 1 . 584 . 2 2 8 DT H4' H -9.256 -0.427 16.941 . . . 1.0 . . . . . . . . . . . . B . 8 DT H4' . . . . . . . . . rr_1b5k 1
. 1 . 585 . 2 2 8 DT H5' H -8.982 2.012 16.857 . . . 1.0 . . . . . . . . . . . . B . 8 DT H5' . . . . . . . . . rr_1b5k 1
. 1 . 586 . 2 2 8 DT H5'' H -10.350 1.537 17.882 . . . 1.0 . . . . . . . . . . . . B . 8 DT H5'' . . . . . . . . . rr_1b5k 1
. 1 . 587 . 2 2 8 DT H6 H -6.068 1.719 19.806 . . . 1.0 . . . . . . . . . . . . B . 8 DT H6 . . . . . . . . . rr_1b5k 1
. 1 . 588 . 2 2 8 DT H71 H -2.742 3.121 20.584 . . . 1.0 . . . . . . . . . . . . B . 8 DT H71 . . . . . . . . . rr_1b5k 1
. 1 . 589 . 2 2 8 DT H72 H -4.216 3.675 19.771 . . . 1.0 . . . . . . . . . . . . B . 8 DT H72 . . . . . . . . . rr_1b5k 1
. 1 . 590 . 2 2 8 DT H73 H -4.313 2.965 21.396 . . . 1.0 . . . . . . . . . . . . B . 8 DT H73 . . . . . . . . . rr_1b5k 1
. 1 . 591 . 2 2 8 DT N1 N -5.440 -0.193 19.040 . . . 1.0 . . . . . . . . . . . . B . 8 DT N1 . . . . . . . . . rr_1b5k 1
. 1 . 592 . 2 2 8 DT N3 N -3.114 -0.525 19.005 . . . 1.0 . . . . . . . . . . . . B . 8 DT N3 . . . . . . . . . rr_1b5k 1
. 1 . 593 . 2 2 8 DT O2 O -4.493 -2.153 18.264 . . . 1.0 . . . . . . . . . . . . B . 8 DT O2 . . . . . . . . . rr_1b5k 1
. 1 . 594 . 2 2 8 DT O3' O -9.445 -2.046 18.794 . . . 1.0 . . . . . . . . . . . . B . 8 DT O3' . . . . . . . . . rr_1b5k 1
. 1 . 595 . 2 2 8 DT O4 O -1.657 1.037 19.714 . . . 1.0 . . . . . . . . . . . . B . 8 DT O4 . . . . . . . . . rr_1b5k 1
. 1 . 596 . 2 2 8 DT O4' O -7.347 -0.020 17.603 . . . 1.0 . . . . . . . . . . . . B . 8 DT O4' . . . . . . . . . rr_1b5k 1
. 1 . 597 . 2 2 8 DT O5' O -8.699 2.277 18.889 . . . 1.0 . . . . . . . . . . . . B . 8 DT O5' . . . . . . . . . rr_1b5k 1
. 1 . 598 . 2 2 8 DT OP1 O -10.680 3.784 19.242 . . . 1.0 . . . . . . . . . . . . B . 8 DT OP1 . . . . . . . . . rr_1b5k 1
. 1 . 599 . 2 2 8 DT OP2 O -8.458 4.229 20.439 . . . 1.0 . . . . . . . . . . . . B . 8 DT OP2 . . . . . . . . . rr_1b5k 1
. 1 . 600 . 2 2 8 DT P P -9.199 3.765 19.242 . . . 1.0 . . . . . . . . . . . . B . 8 DT P . . . . . . . . . rr_1b5k 1
. 1 . 601 . 2 2 9 DA C1' C -5.197 -5.348 20.939 . . . 1.0 . . . . . . . . . . . . B . 9 DA C1' . . . . . . . . . rr_1b5k 1
. 1 . 602 . 2 2 9 DA C2 C -0.940 -4.447 20.661 . . . 1.0 . . . . . . . . . . . . B . 9 DA C2 . . . . . . . . . rr_1b5k 1
. 1 . 603 . 2 2 9 DA C2' C -6.321 -5.546 21.949 . . . 1.0 . . . . . . . . . . . . B . 9 DA C2' . . . . . . . . . rr_1b5k 1
. 1 . 604 . 2 2 9 DA C3' C -7.226 -6.498 21.183 . . . 1.0 . . . . . . . . . . . . B . 9 DA C3' . . . . . . . . . rr_1b5k 1
. 1 . 605 . 2 2 9 DA C4 C -3.046 -3.981 21.089 . . . 1.0 . . . . . . . . . . . . B . 9 DA C4 . . . . . . . . . rr_1b5k 1
. 1 . 606 . 2 2 9 DA C4' C -7.128 -5.917 19.764 . . . 1.0 . . . . . . . . . . . . B . 9 DA C4' . . . . . . . . . rr_1b5k 1
. 1 . 607 . 2 2 9 DA C5 C -2.757 -2.690 21.453 . . . 1.0 . . . . . . . . . . . . B . 9 DA C5 . . . . . . . . . rr_1b5k 1
. 1 . 608 . 2 2 9 DA C5' C -8.352 -5.112 19.324 . . . 1.0 . . . . . . . . . . . . B . 9 DA C5' . . . . . . . . . rr_1b5k 1
. 1 . 609 . 2 2 9 DA C6 C -1.414 -2.307 21.391 . . . 1.0 . . . . . . . . . . . . B . 9 DA C6 . . . . . . . . . rr_1b5k 1
. 1 . 610 . 2 2 9 DA C8 C -4.827 -2.911 21.663 . . . 1.0 . . . . . . . . . . . . B . 9 DA C8 . . . . . . . . . rr_1b5k 1
. 1 . 611 . 2 2 9 DA H1' H -4.568 -6.236 20.882 . . . 1.0 . . . . . . . . . . . . B . 9 DA H1' . . . . . . . . . rr_1b5k 1
. 1 . 612 . 2 2 9 DA H2 H -0.165 -5.143 20.341 . . . 1.0 . . . . . . . . . . . . B . 9 DA H2 . . . . . . . . . rr_1b5k 1
. 1 . 613 . 2 2 9 DA H2' H -6.829 -4.587 22.050 . . . 1.0 . . . . . . . . . . . . B . 9 DA H2' . . . . . . . . . rr_1b5k 1
. 1 . 614 . 2 2 9 DA H2'' H -5.966 -5.905 22.915 . . . 1.0 . . . . . . . . . . . . B . 9 DA H2'' . . . . . . . . . rr_1b5k 1
. 1 . 615 . 2 2 9 DA H3' H -8.259 -6.467 21.530 . . . 1.0 . . . . . . . . . . . . B . 9 DA H3' . . . . . . . . . rr_1b5k 1
. 1 . 616 . 2 2 9 DA H4' H -7.024 -6.764 19.086 . . . 1.0 . . . . . . . . . . . . B . 9 DA H4' . . . . . . . . . rr_1b5k 1
. 1 . 617 . 2 2 9 DA H5' H -8.176 -4.744 18.313 . . . 1.0 . . . . . . . . . . . . B . 9 DA H5' . . . . . . . . . rr_1b5k 1
. 1 . 618 . 2 2 9 DA H5'' H -9.217 -5.775 19.312 . . . 1.0 . . . . . . . . . . . . B . 9 DA H5'' . . . . . . . . . rr_1b5k 1
. 1 . 619 . 2 2 9 DA H61 H 0.021 -0.767 21.637 . . . 1.0 . . . . . . . . . . . . B . 9 DA H61 . . . . . . . . . rr_1b5k 1
. 1 . 620 . 2 2 9 DA H62 H -1.618 -0.310 22.072 . . . 1.0 . . . . . . . . . . . . B . 9 DA H62 . . . . . . . . . rr_1b5k 1
. 1 . 621 . 2 2 9 DA H8 H -5.878 -2.716 21.872 . . . 1.0 . . . . . . . . . . . . B . 9 DA H8 . . . . . . . . . rr_1b5k 1
. 1 . 622 . 2 2 9 DA N1 N -0.531 -3.228 20.985 . . . 1.0 . . . . . . . . . . . . B . 9 DA N1 . . . . . . . . . rr_1b5k 1
. 1 . 623 . 2 2 9 DA N3 N -2.173 -4.924 20.678 . . . 1.0 . . . . . . . . . . . . B . 9 DA N3 . . . . . . . . . rr_1b5k 1
. 1 . 624 . 2 2 9 DA N6 N -0.958 -0.996 21.735 . . . 1.0 . . . . . . . . . . . . B . 9 DA N6 . . . . . . . . . rr_1b5k 1
. 1 . 625 . 2 2 9 DA N7 N -3.911 -2.003 21.823 . . . 1.0 . . . . . . . . . . . . B . 9 DA N7 . . . . . . . . . rr_1b5k 1
. 1 . 626 . 2 2 9 DA N9 N -4.404 -4.131 21.225 . . . 1.0 . . . . . . . . . . . . B . 9 DA N9 . . . . . . . . . rr_1b5k 1
. 1 . 627 . 2 2 9 DA O3' O -6.818 -7.875 21.186 . . . 1.0 . . . . . . . . . . . . B . 9 DA O3' . . . . . . . . . rr_1b5k 1
. 1 . 628 . 2 2 9 DA O4' O -5.902 -5.160 19.705 . . . 1.0 . . . . . . . . . . . . B . 9 DA O4' . . . . . . . . . rr_1b5k 1
. 1 . 629 . 2 2 9 DA O5' O -8.633 -3.998 20.185 . . . 1.0 . . . . . . . . . . . . B . 9 DA O5' . . . . . . . . . rr_1b5k 1
. 1 . 630 . 2 2 9 DA OP1 O -11.020 -3.900 19.394 . . . 1.0 . . . . . . . . . . . . B . 9 DA OP1 . . . . . . . . . rr_1b5k 1
. 1 . 631 . 2 2 9 DA OP2 O -10.165 -2.302 21.200 . . . 1.0 . . . . . . . . . . . . B . 9 DA OP2 . . . . . . . . . rr_1b5k 1
. 1 . 632 . 2 2 9 DA P P -9.930 -3.066 19.953 . . . 1.0 . . . . . . . . . . . . B . 9 DA P . . . . . . . . . rr_1b5k 1
. 1 . 633 . 2 2 10 DC C1' C -1.561 -7.173 23.142 . . . 1.0 . . . . . . . . . . . . B . 10 DC C1' . . . . . . . . . rr_1b5k 1
. 1 . 634 . 2 2 10 DC C2 C -0.562 -5.029 23.825 . . . 1.0 . . . . . . . . . . . . B . 10 DC C2 . . . . . . . . . rr_1b5k 1
. 1 . 635 . 2 2 10 DC C2' C -2.010 -8.247 24.115 . . . 1.0 . . . . . . . . . . . . B . 10 DC C2' . . . . . . . . . rr_1b5k 1
. 1 . 636 . 2 2 10 DC C3' C -2.043 -9.439 23.175 . . . 1.0 . . . . . . . . . . . . B . 10 DC C3' . . . . . . . . . rr_1b5k 1
. 1 . 637 . 2 2 10 DC C4 C -1.866 -3.276 24.667 . . . 1.0 . . . . . . . . . . . . B . 10 DC C4 . . . . . . . . . rr_1b5k 1
. 1 . 638 . 2 2 10 DC C4' C -2.646 -8.812 21.911 . . . 1.0 . . . . . . . . . . . . B . 10 DC C4' . . . . . . . . . rr_1b5k 1
. 1 . 639 . 2 2 10 DC C5 C -3.062 -4.049 24.539 . . . 1.0 . . . . . . . . . . . . B . 10 DC C5 . . . . . . . . . rr_1b5k 1
. 1 . 640 . 2 2 10 DC C5' C -4.115 -9.140 21.664 . . . 1.0 . . . . . . . . . . . . B . 10 DC C5' . . . . . . . . . rr_1b5k 1
. 1 . 641 . 2 2 10 DC C6 C -2.939 -5.302 24.047 . . . 1.0 . . . . . . . . . . . . B . 10 DC C6 . . . . . . . . . rr_1b5k 1
. 1 . 642 . 2 2 10 DC H1' H -0.525 -7.369 22.866 . . . 1.0 . . . . . . . . . . . . B . 10 DC H1' . . . . . . . . . rr_1b5k 1
. 1 . 643 . 2 2 10 DC H2' H -3.027 -8.010 24.427 . . . 1.0 . . . . . . . . . . . . B . 10 DC H2' . . . . . . . . . rr_1b5k 1
. 1 . 644 . 2 2 10 DC H2'' H -1.316 -8.341 24.951 . . . 1.0 . . . . . . . . . . . . B . 10 DC H2'' . . . . . . . . . rr_1b5k 1
. 1 . 645 . 2 2 10 DC H3' H -2.674 -10.247 23.545 . . . 1.0 . . . . . . . . . . . . B . 10 DC H3' . . . . . . . . . rr_1b5k 1
. 1 . 646 . 2 2 10 DC H4' H -2.070 -9.192 21.067 . . . 1.0 . . . . . . . . . . . . B . 10 DC H4' . . . . . . . . . rr_1b5k 1
. 1 . 647 . 2 2 10 DC H41 H -1.072 -1.414 25.258 . . . 1.0 . . . . . . . . . . . . B . 10 DC H41 . . . . . . . . . rr_1b5k 1
. 1 . 648 . 2 2 10 DC H42 H -2.818 -1.546 25.448 . . . 1.0 . . . . . . . . . . . . B . 10 DC H42 . . . . . . . . . rr_1b5k 1
. 1 . 649 . 2 2 10 DC H5 H -4.021 -3.624 24.837 . . . 1.0 . . . . . . . . . . . . B . 10 DC H5 . . . . . . . . . rr_1b5k 1
. 1 . 650 . 2 2 10 DC H5' H -4.403 -8.682 20.718 . . . 1.0 . . . . . . . . . . . . B . 10 DC H5' . . . . . . . . . rr_1b5k 1
. 1 . 651 . 2 2 10 DC H5'' H -4.229 -10.221 21.580 . . . 1.0 . . . . . . . . . . . . B . 10 DC H5'' . . . . . . . . . rr_1b5k 1
. 1 . 652 . 2 2 10 DC H6 H -3.829 -5.921 23.933 . . . 1.0 . . . . . . . . . . . . B . 10 DC H6 . . . . . . . . . rr_1b5k 1
. 1 . 653 . 2 2 10 DC N1 N -1.710 -5.799 23.690 . . . 1.0 . . . . . . . . . . . . B . 10 DC N1 . . . . . . . . . rr_1b5k 1
. 1 . 654 . 2 2 10 DC N3 N -0.677 -3.771 24.317 . . . 1.0 . . . . . . . . . . . . B . 10 DC N3 . . . . . . . . . rr_1b5k 1
. 1 . 655 . 2 2 10 DC N4 N -1.929 -1.942 25.177 . . . 1.0 . . . . . . . . . . . . B . 10 DC N4 . . . . . . . . . rr_1b5k 1
. 1 . 656 . 2 2 10 DC O2 O 0.544 -5.460 23.516 . . . 1.0 . . . . . . . . . . . . B . 10 DC O2 . . . . . . . . . rr_1b5k 1
. 1 . 657 . 2 2 10 DC O3' O -0.761 -10.000 22.842 . . . 1.0 . . . . . . . . . . . . B . 10 DC O3' . . . . . . . . . rr_1b5k 1
. 1 . 658 . 2 2 10 DC O4' O -2.402 -7.393 22.002 . . . 1.0 . . . . . . . . . . . . B . 10 DC O4' . . . . . . . . . rr_1b5k 1
. 1 . 659 . 2 2 10 DC O5' O -4.982 -8.644 22.694 . . . 1.0 . . . . . . . . . . . . B . 10 DC O5' . . . . . . . . . rr_1b5k 1
. 1 . 660 . 2 2 10 DC OP1 O -6.923 -10.164 22.215 . . . 1.0 . . . . . . . . . . . . B . 10 DC OP1 . . . . . . . . . rr_1b5k 1
. 1 . 661 . 2 2 10 DC OP2 O -7.215 -8.078 23.674 . . . 1.0 . . . . . . . . . . . . B . 10 DC OP2 . . . . . . . . . rr_1b5k 1
. 1 . 662 . 2 2 10 DC P P -6.578 -8.757 22.521 . . . 1.0 . . . . . . . . . . . . B . 10 DC P . . . . . . . . . rr_1b5k 1
. 1 . 663 . 2 2 11 DG C1' C 4.030 -7.497 25.096 . . . 1.0 . . . . . . . . . . . . B . 11 DG C1' . . . . . . . . . rr_1b5k 1
. 1 . 664 . 2 2 11 DG C2 C 4.878 -3.824 27.198 . . . 1.0 . . . . . . . . . . . . B . 11 DG C2 . . . . . . . . . rr_1b5k 1
. 1 . 665 . 2 2 11 DG C2' C 3.975 -9.006 25.274 . . . 1.0 . . . . . . . . . . . . B . 11 DG C2' . . . . . . . . . rr_1b5k 1
. 1 . 666 . 2 2 11 DG C3' C 4.458 -9.433 23.898 . . . 1.0 . . . . . . . . . . . . B . 11 DG C3' . . . . . . . . . rr_1b5k 1
. 1 . 667 . 2 2 11 DG C4 C 3.588 -5.557 26.654 . . . 1.0 . . . . . . . . . . . . B . 11 DG C4 . . . . . . . . . rr_1b5k 1
. 1 . 668 . 2 2 11 DG C4' C 3.617 -8.496 23.027 . . . 1.0 . . . . . . . . . . . . B . 11 DG C4' . . . . . . . . . rr_1b5k 1
. 1 . 669 . 2 2 11 DG C5 C 2.534 -5.156 27.437 . . . 1.0 . . . . . . . . . . . . B . 11 DG C5 . . . . . . . . . rr_1b5k 1
. 1 . 670 . 2 2 11 DG C5' C 2.229 -9.051 22.682 . . . 1.0 . . . . . . . . . . . . B . 11 DG C5' . . . . . . . . . rr_1b5k 1
. 1 . 671 . 2 2 11 DG C6 C 2.645 -3.960 28.191 . . . 1.0 . . . . . . . . . . . . B . 11 DG C6 . . . . . . . . . rr_1b5k 1
. 1 . 672 . 2 2 11 DG C8 C 1.943 -6.947 26.513 . . . 1.0 . . . . . . . . . . . . B . 11 DG C8 . . . . . . . . . rr_1b5k 1
. 1 . 673 . 2 2 11 DG H1 H 3.991 -2.488 28.531 . . . 1.0 . . . . . . . . . . . . B . 11 DG H1 . . . . . . . . . rr_1b5k 1
. 1 . 674 . 2 2 11 DG H1' H 5.074 -7.191 25.171 . . . 1.0 . . . . . . . . . . . . B . 11 DG H1' . . . . . . . . . rr_1b5k 1
. 1 . 675 . 2 2 11 DG H2' H 2.939 -9.321 25.396 . . . 1.0 . . . . . . . . . . . . B . 11 DG H2' . . . . . . . . . rr_1b5k 1
. 1 . 676 . 2 2 11 DG H2'' H 4.575 -9.332 26.124 . . . 1.0 . . . . . . . . . . . . B . 11 DG H2'' . . . . . . . . . rr_1b5k 1
. 1 . 677 . 2 2 11 DG H21 H 6.174 -2.238 27.693 . . . 1.0 . . . . . . . . . . . . B . 11 DG H21 . . . . . . . . . rr_1b5k 1
. 1 . 678 . 2 2 11 DG H22 H 6.809 -3.345 26.486 . . . 1.0 . . . . . . . . . . . . B . 11 DG H22 . . . . . . . . . rr_1b5k 1
. 1 . 679 . 2 2 11 DG H3' H 4.248 -10.477 23.662 . . . 1.0 . . . . . . . . . . . . B . 11 DG H3' . . . . . . . . . rr_1b5k 1
. 1 . 680 . 2 2 11 DG H4' H 4.155 -8.301 22.099 . . . 1.0 . . . . . . . . . . . . B . 11 DG H4' . . . . . . . . . rr_1b5k 1
. 1 . 681 . 2 2 11 DG H5' H 1.710 -8.323 22.059 . . . 1.0 . . . . . . . . . . . . B . 11 DG H5' . . . . . . . . . rr_1b5k 1
. 1 . 682 . 2 2 11 DG H5'' H 2.357 -9.972 22.113 . . . 1.0 . . . . . . . . . . . . B . 11 DG H5'' . . . . . . . . . rr_1b5k 1
. 1 . 683 . 2 2 11 DG H8 H 1.356 -7.816 26.214 . . . 1.0 . . . . . . . . . . . . B . 11 DG H8 . . . . . . . . . rr_1b5k 1
. 1 . 684 . 2 2 11 DG HO3' H 6.012 -9.164 22.754 . . . 1.0 . . . . . . . . . . . . B . 11 DG HO3' . . . . . . . . . rr_1b5k 1
. 1 . 685 . 2 2 11 DG N1 N 3.872 -3.346 28.010 . . . 1.0 . . . . . . . . . . . . B . 11 DG N1 . . . . . . . . . rr_1b5k 1
. 1 . 686 . 2 2 11 DG N2 N 6.073 -3.063 27.118 . . . 1.0 . . . . . . . . . . . . B . 11 DG N2 . . . . . . . . . rr_1b5k 1
. 1 . 687 . 2 2 11 DG N3 N 4.781 -4.946 26.488 . . . 1.0 . . . . . . . . . . . . B . 11 DG N3 . . . . . . . . . rr_1b5k 1
. 1 . 688 . 2 2 11 DG N7 N 1.475 -6.059 27.341 . . . 1.0 . . . . . . . . . . . . B . 11 DG N7 . . . . . . . . . rr_1b5k 1
. 1 . 689 . 2 2 11 DG N9 N 3.208 -6.725 26.048 . . . 1.0 . . . . . . . . . . . . B . 11 DG N9 . . . . . . . . . rr_1b5k 1
. 1 . 690 . 2 2 11 DG O3' O 5.857 -9.186 23.701 . . . 1.0 . . . . . . . . . . . . B . 11 DG O3' . . . . . . . . . rr_1b5k 1
. 1 . 691 . 2 2 11 DG O4' O 3.533 -7.266 23.766 . . . 1.0 . . . . . . . . . . . . B . 11 DG O4' . . . . . . . . . rr_1b5k 1
. 1 . 692 . 2 2 11 DG O5' O 1.432 -9.303 23.853 . . . 1.0 . . . . . . . . . . . . B . 11 DG O5' . . . . . . . . . rr_1b5k 1
. 1 . 693 . 2 2 11 DG O6 O 1.821 -3.444 28.940 . . . 1.0 . . . . . . . . . . . . B . 11 DG O6 . . . . . . . . . rr_1b5k 1
. 1 . 694 . 2 2 11 DG OP1 O 0.979 -11.727 23.378 . . . 1.0 . . . . . . . . . . . . B . 11 DG OP1 . . . . . . . . . rr_1b5k 1
. 1 . 695 . 2 2 11 DG OP2 O -0.248 -10.507 25.261 . . . 1.0 . . . . . . . . . . . . B . 11 DG OP2 . . . . . . . . . rr_1b5k 1
. 1 . 696 . 2 2 11 DG P P 0.349 -10.496 23.906 . . . 1.0 . . . . . . . . . . . . B . 11 DG P . . . . . . . . . rr_1b5k 1
. 2 . 697 . 1 1 1 DC C1' C 5.968 -16.024 14.973 . . . 1.0 . . . . . . . . . . . . A . 1 DC C1' . . . . . . . . . rr_1b5k 1
. 2 . 698 . 1 1 1 DC C2 C 4.311 -15.655 13.162 . . . 1.0 . . . . . . . . . . . . A . 1 DC C2 . . . . . . . . . rr_1b5k 1
. 2 . 699 . 1 1 1 DC C2' C 6.230 -14.938 16.009 . . . 1.0 . . . . . . . . . . . . A . 1 DC C2' . . . . . . . . . rr_1b5k 1
. 2 . 700 . 1 1 1 DC C3' C 7.497 -15.476 16.633 . . . 1.0 . . . . . . . . . . . . A . 1 DC C3' . . . . . . . . . rr_1b5k 1
. 2 . 701 . 1 1 1 DC C4 C 2.016 -15.934 13.559 . . . 1.0 . . . . . . . . . . . . A . 1 DC C4 . . . . . . . . . rr_1b5k 1
. 2 . 702 . 1 1 1 DC C4' C 7.133 -16.959 16.770 . . . 1.0 . . . . . . . . . . . . A . 1 DC C4' . . . . . . . . . rr_1b5k 1
. 2 . 703 . 1 1 1 DC C5 C 2.257 -16.288 14.923 . . . 1.0 . . . . . . . . . . . . A . 1 DC C5 . . . . . . . . . rr_1b5k 1
. 2 . 704 . 1 1 1 DC C5' C 6.493 -17.323 18.118 . . . 1.0 . . . . . . . . . . . . A . 1 DC C5' . . . . . . . . . rr_1b5k 1
. 2 . 705 . 1 1 1 DC C6 C 3.538 -16.306 15.338 . . . 1.0 . . . . . . . . . . . . A . 1 DC C6 . . . . . . . . . rr_1b5k 1
. 2 . 706 . 1 1 1 DC H1' H 6.676 -15.892 14.155 . . . 1.0 . . . . . . . . . . . . A . 1 DC H1' . . . . . . . . . rr_1b5k 1
. 2 . 707 . 1 1 1 DC H2' H 5.435 -14.969 16.755 . . . 1.0 . . . . . . . . . . . . A . 1 DC H2' . . . . . . . . . rr_1b5k 1
. 2 . 708 . 1 1 1 DC H2'' H 6.337 -13.955 15.553 . . . 1.0 . . . . . . . . . . . . A . 1 DC H2'' . . . . . . . . . rr_1b5k 1
. 2 . 709 . 1 1 1 DC H3' H 7.705 -15.038 17.608 . . . 1.0 . . . . . . . . . . . . A . 1 DC H3' . . . . . . . . . rr_1b5k 1
. 2 . 710 . 1 1 1 DC H4' H 8.043 -17.546 16.650 . . . 1.0 . . . . . . . . . . . . A . 1 DC H4' . . . . . . . . . rr_1b5k 1
. 2 . 711 . 1 1 1 DC H41 H 0.512 -15.650 12.109 . . . 1.0 . . . . . . . . . . . . A . 1 DC H41 . . . . . . . . . rr_1b5k 1
. 2 . 712 . 1 1 1 DC H42 H -0.094 -16.130 13.689 . . . 1.0 . . . . . . . . . . . . A . 1 DC H42 . . . . . . . . . rr_1b5k 1
. 2 . 713 . 1 1 1 DC H5 H 1.440 -16.533 15.601 . . . 1.0 . . . . . . . . . . . . A . 1 DC H5 . . . . . . . . . rr_1b5k 1
. 2 . 714 . 1 1 1 DC H5' H 6.291 -18.394 18.126 . . . 1.0 . . . . . . . . . . . . A . 1 DC H5' . . . . . . . . . rr_1b5k 1
. 2 . 715 . 1 1 1 DC H5'' H 7.195 -17.090 18.919 . . . 1.0 . . . . . . . . . . . . A . 1 DC H5'' . . . . . . . . . rr_1b5k 1
. 2 . 716 . 1 1 1 DC H6 H 3.756 -16.575 16.372 . . . 1.0 . . . . . . . . . . . . A . 1 DC H6 . . . . . . . . . rr_1b5k 1
. 2 . 717 . 1 1 1 DC HO5' H 4.966 -16.868 19.236 . . . 1.0 . . . . . . . . . . . . A . 1 DC HO5' . . . . . . . . . rr_1b5k 1
. 2 . 718 . 1 1 1 DC N1 N 4.563 -15.997 14.488 . . . 1.0 . . . . . . . . . . . . A . 1 DC N1 . . . . . . . . . rr_1b5k 1
. 2 . 719 . 1 1 1 DC N3 N 3.024 -15.633 12.728 . . . 1.0 . . . . . . . . . . . . A . 1 DC N3 . . . . . . . . . rr_1b5k 1
. 2 . 720 . 1 1 1 DC N4 N 0.674 -15.903 13.073 . . . 1.0 . . . . . . . . . . . . A . 1 DC N4 . . . . . . . . . rr_1b5k 1
. 2 . 721 . 1 1 1 DC O2 O 5.220 -15.378 12.385 . . . 1.0 . . . . . . . . . . . . A . 1 DC O2 . . . . . . . . . rr_1b5k 1
. 2 . 722 . 1 1 1 DC O3' O 8.661 -15.289 15.808 . . . 1.0 . . . . . . . . . . . . A . 1 DC O3' . . . . . . . . . rr_1b5k 1
. 2 . 723 . 1 1 1 DC O4' O 6.250 -17.255 15.666 . . . 1.0 . . . . . . . . . . . . A . 1 DC O4' . . . . . . . . . rr_1b5k 1
. 2 . 724 . 1 1 1 DC O5' O 5.264 -16.626 18.356 . . . 1.0 . . . . . . . . . . . . A . 1 DC O5' . . . . . . . . . rr_1b5k 1
. 2 . 725 . 1 1 2 DG C1' C 7.088 -11.986 11.070 . . . 1.0 . . . . . . . . . . . . A . 2 DG C1' . . . . . . . . . rr_1b5k 1
. 2 . 726 . 1 1 2 DG C2 C 3.541 -11.340 8.644 . . . 1.0 . . . . . . . . . . . . A . 2 DG C2 . . . . . . . . . rr_1b5k 1
. 2 . 727 . 1 1 2 DG C2' C 7.886 -11.103 12.013 . . . 1.0 . . . . . . . . . . . . A . 2 DG C2' . . . . . . . . . rr_1b5k 1
. 2 . 728 . 1 1 2 DG C3' C 9.286 -11.609 11.710 . . . 1.0 . . . . . . . . . . . . A . 2 DG C3' . . . . . . . . . rr_1b5k 1
. 2 . 729 . 1 1 2 DG C4 C 4.610 -11.792 10.545 . . . 1.0 . . . . . . . . . . . . A . 2 DG C4 . . . . . . . . . rr_1b5k 1
. 2 . 730 . 1 1 2 DG C4' C 9.036 -13.123 11.648 . . . 1.0 . . . . . . . . . . . . A . 2 DG C4' . . . . . . . . . rr_1b5k 1
. 2 . 731 . 1 1 2 DG C5 C 3.458 -11.938 11.281 . . . 1.0 . . . . . . . . . . . . A . 2 DG C5 . . . . . . . . . rr_1b5k 1
. 2 . 732 . 1 1 2 DG C5' C 9.461 -13.883 12.911 . . . 1.0 . . . . . . . . . . . . A . 2 DG C5' . . . . . . . . . rr_1b5k 1
. 2 . 733 . 1 1 2 DG C6 C 2.204 -11.772 10.647 . . . 1.0 . . . . . . . . . . . . A . 2 DG C6 . . . . . . . . . rr_1b5k 1
. 2 . 734 . 1 1 2 DG C8 C 5.051 -12.266 12.599 . . . 1.0 . . . . . . . . . . . . A . 2 DG C8 . . . . . . . . . rr_1b5k 1
. 2 . 735 . 1 1 2 DG H1 H 1.465 -11.347 8.818 . . . 1.0 . . . . . . . . . . . . A . 2 DG H1 . . . . . . . . . rr_1b5k 1
. 2 . 736 . 1 1 2 DG H1' H 7.248 -11.683 10.035 . . . 1.0 . . . . . . . . . . . . A . 2 DG H1' . . . . . . . . . rr_1b5k 1
. 2 . 737 . 1 1 2 DG H2' H 7.599 -11.380 13.028 . . . 1.0 . . . . . . . . . . . . A . 2 DG H2' . . . . . . . . . rr_1b5k 1
. 2 . 738 . 1 1 2 DG H2'' H 7.728 -10.039 11.838 . . . 1.0 . . . . . . . . . . . . A . 2 DG H2'' . . . . . . . . . rr_1b5k 1
. 2 . 739 . 1 1 2 DG H21 H 2.601 -10.977 6.788 . . . 1.0 . . . . . . . . . . . . A . 2 DG H21 . . . . . . . . . rr_1b5k 1
. 2 . 740 . 1 1 2 DG H22 H 4.362 -10.798 6.796 . . . 1.0 . . . . . . . . . . . . A . 2 DG H22 . . . . . . . . . rr_1b5k 1
. 2 . 741 . 1 1 2 DG H3' H 10.003 -11.371 12.495 . . . 1.0 . . . . . . . . . . . . A . 2 DG H3' . . . . . . . . . rr_1b5k 1
. 2 . 742 . 1 1 2 DG H4' H 9.632 -13.503 10.818 . . . 1.0 . . . . . . . . . . . . A . 2 DG H4' . . . . . . . . . rr_1b5k 1
. 2 . 743 . 1 1 2 DG H5' H 9.232 -14.939 12.774 . . . 1.0 . . . . . . . . . . . . A . 2 DG H5' . . . . . . . . . rr_1b5k 1
. 2 . 744 . 1 1 2 DG H5'' H 10.539 -13.770 13.031 . . . 1.0 . . . . . . . . . . . . A . 2 DG H5'' . . . . . . . . . rr_1b5k 1
. 2 . 745 . 1 1 2 DG H8 H 5.641 -12.468 13.492 . . . 1.0 . . . . . . . . . . . . A . 2 DG H8 . . . . . . . . . rr_1b5k 1
. 2 . 746 . 1 1 2 DG N1 N 2.340 -11.470 9.306 . . . 1.0 . . . . . . . . . . . . A . 2 DG N1 . . . . . . . . . rr_1b5k 1
. 2 . 747 . 1 1 2 DG N2 N 3.491 -11.005 7.265 . . . 1.0 . . . . . . . . . . . . A . 2 DG N2 . . . . . . . . . rr_1b5k 1
. 2 . 748 . 1 1 2 DG N3 N 4.724 -11.496 9.233 . . . 1.0 . . . . . . . . . . . . A . 2 DG N3 . . . . . . . . . rr_1b5k 1
. 2 . 749 . 1 1 2 DG N7 N 3.752 -12.245 12.609 . . . 1.0 . . . . . . . . . . . . A . 2 DG N7 . . . . . . . . . rr_1b5k 1
. 2 . 750 . 1 1 2 DG N9 N 5.651 -12.009 11.406 . . . 1.0 . . . . . . . . . . . . A . 2 DG N9 . . . . . . . . . rr_1b5k 1
. 2 . 751 . 1 1 2 DG O3' O 9.838 -11.152 10.463 . . . 1.0 . . . . . . . . . . . . A . 2 DG O3' . . . . . . . . . rr_1b5k 1
. 2 . 752 . 1 1 2 DG O4' O 7.648 -13.290 11.294 . . . 1.0 . . . . . . . . . . . . A . 2 DG O4' . . . . . . . . . rr_1b5k 1
. 2 . 753 . 1 1 2 DG O5' O 8.809 -13.412 14.104 . . . 1.0 . . . . . . . . . . . . A . 2 DG O5' . . . . . . . . . rr_1b5k 1
. 2 . 754 . 1 1 2 DG O6 O 1.083 -11.868 11.133 . . . 1.0 . . . . . . . . . . . . A . 2 DG O6 . . . . . . . . . rr_1b5k 1
. 2 . 755 . 1 1 2 DG OP1 O 10.799 -14.018 15.524 . . . 1.0 . . . . . . . . . . . . A . 2 DG OP1 . . . . . . . . . rr_1b5k 1
. 2 . 756 . 1 1 2 DG OP2 O 8.750 -12.886 16.553 . . . 1.0 . . . . . . . . . . . . A . 2 DG OP2 . . . . . . . . . rr_1b5k 1
. 2 . 757 . 1 1 2 DG P P 9.330 -13.834 15.574 . . . 1.0 . . . . . . . . . . . . A . 2 DG P . . . . . . . . . rr_1b5k 1
. 2 . 758 . 1 1 3 DT C1' C 5.743 -8.304 7.575 . . . 1.0 . . . . . . . . . . . . A . 3 DT C1' . . . . . . . . . rr_1b5k 1
. 2 . 759 . 1 1 3 DT C2 C 3.469 -8.280 8.499 . . . 1.0 . . . . . . . . . . . . A . 3 DT C2 . . . . . . . . . rr_1b5k 1
. 2 . 760 . 1 1 3 DT C2' C 6.888 -7.311 7.735 . . . 1.0 . . . . . . . . . . . . A . 3 DT C2' . . . . . . . . . rr_1b5k 1
. 2 . 761 . 1 1 3 DT C3' C 7.796 -7.812 6.629 . . . 1.0 . . . . . . . . . . . . A . 3 DT C3' . . . . . . . . . rr_1b5k 1
. 2 . 762 . 1 1 3 DT C4 C 3.051 -8.491 10.910 . . . 1.0 . . . . . . . . . . . . A . 3 DT C4 . . . . . . . . . rr_1b5k 1
. 2 . 763 . 1 1 3 DT C4' C 7.704 -9.327 6.852 . . . 1.0 . . . . . . . . . . . . A . 3 DT C4' . . . . . . . . . rr_1b5k 1
. 2 . 764 . 1 1 3 DT C5 C 4.483 -8.564 11.089 . . . 1.0 . . . . . . . . . . . . A . 3 DT C5 . . . . . . . . . rr_1b5k 1
. 2 . 765 . 1 1 3 DT C5' C 8.825 -9.896 7.730 . . . 1.0 . . . . . . . . . . . . A . 3 DT C5' . . . . . . . . . rr_1b5k 1
. 2 . 766 . 1 1 3 DT C6 C 5.312 -8.499 10.028 . . . 1.0 . . . . . . . . . . . . A . 3 DT C6 . . . . . . . . . rr_1b5k 1
. 2 . 767 . 1 1 3 DT C7 C 5.066 -8.710 12.500 . . . 1.0 . . . . . . . . . . . . A . 3 DT C7 . . . . . . . . . rr_1b5k 1
. 2 . 768 . 1 1 3 DT H1' H 5.193 -8.055 6.666 . . . 1.0 . . . . . . . . . . . . A . 3 DT H1' . . . . . . . . . rr_1b5k 1
. 2 . 769 . 1 1 3 DT H2' H 7.381 -7.495 8.689 . . . 1.0 . . . . . . . . . . . . A . 3 DT H2' . . . . . . . . . rr_1b5k 1
. 2 . 770 . 1 1 3 DT H2'' H 6.565 -6.275 7.646 . . . 1.0 . . . . . . . . . . . . A . 3 DT H2'' . . . . . . . . . rr_1b5k 1
. 2 . 771 . 1 1 3 DT H3 H 1.661 -8.295 9.421 . . . 1.0 . . . . . . . . . . . . A . 3 DT H3 . . . . . . . . . rr_1b5k 1
. 2 . 772 . 1 1 3 DT H3' H 8.826 -7.477 6.745 . . . 1.0 . . . . . . . . . . . . A . 3 DT H3' . . . . . . . . . rr_1b5k 1
. 2 . 773 . 1 1 3 DT H4' H 7.763 -9.809 5.876 . . . 1.0 . . . . . . . . . . . . A . 3 DT H4' . . . . . . . . . rr_1b5k 1
. 2 . 774 . 1 1 3 DT H5' H 8.679 -10.973 7.820 . . . 1.0 . . . . . . . . . . . . A . 3 DT H5' . . . . . . . . . rr_1b5k 1
. 2 . 775 . 1 1 3 DT H5'' H 9.781 -9.709 7.241 . . . 1.0 . . . . . . . . . . . . A . 3 DT H5'' . . . . . . . . . rr_1b5k 1
. 2 . 776 . 1 1 3 DT H6 H 6.385 -8.563 10.204 . . . 1.0 . . . . . . . . . . . . A . 3 DT H6 . . . . . . . . . rr_1b5k 1
. 2 . 777 . 1 1 3 DT H71 H 5.649 -9.628 12.570 . . . 1.0 . . . . . . . . . . . . A . 3 DT H71 . . . . . . . . . rr_1b5k 1
. 2 . 778 . 1 1 3 DT H72 H 5.711 -7.859 12.717 . . . 1.0 . . . . . . . . . . . . A . 3 DT H72 . . . . . . . . . rr_1b5k 1
. 2 . 779 . 1 1 3 DT H73 H 4.262 -8.744 13.235 . . . 1.0 . . . . . . . . . . . . A . 3 DT H73 . . . . . . . . . rr_1b5k 1
. 2 . 780 . 1 1 3 DT N1 N 4.831 -8.360 8.745 . . . 1.0 . . . . . . . . . . . . A . 3 DT N1 . . . . . . . . . rr_1b5k 1
. 2 . 781 . 1 1 3 DT N3 N 2.654 -8.352 9.601 . . . 1.0 . . . . . . . . . . . . A . 3 DT N3 . . . . . . . . . rr_1b5k 1
. 2 . 782 . 1 1 3 DT O2 O 2.982 -8.152 7.379 . . . 1.0 . . . . . . . . . . . . A . 3 DT O2 . . . . . . . . . rr_1b5k 1
. 2 . 783 . 1 1 3 DT O3' O 7.377 -7.468 5.297 . . . 1.0 . . . . . . . . . . . . A . 3 DT O3' . . . . . . . . . rr_1b5k 1
. 2 . 784 . 1 1 3 DT O4 O 2.202 -8.552 11.793 . . . 1.0 . . . . . . . . . . . . A . 3 DT O4 . . . . . . . . . rr_1b5k 1
. 2 . 785 . 1 1 3 DT O4' O 6.389 -9.575 7.389 . . . 1.0 . . . . . . . . . . . . A . 3 DT O4' . . . . . . . . . rr_1b5k 1
. 2 . 786 . 1 1 3 DT O5' O 8.842 -9.322 9.048 . . . 1.0 . . . . . . . . . . . . A . 3 DT O5' . . . . . . . . . rr_1b5k 1
. 2 . 787 . 1 1 3 DT OP1 O 11.333 -9.486 9.332 . . . 1.0 . . . . . . . . . . . . A . 3 DT OP1 . . . . . . . . . rr_1b5k 1
. 2 . 788 . 1 1 3 DT OP2 O 9.832 -8.762 11.275 . . . 1.0 . . . . . . . . . . . . A . 3 DT OP2 . . . . . . . . . rr_1b5k 1
. 2 . 789 . 1 1 3 DT P P 10.056 -9.597 10.073 . . . 1.0 . . . . . . . . . . . . A . 3 DT P . . . . . . . . . rr_1b5k 1
. 2 . 790 . 1 1 4 DA C1' C 2.407 -4.523 6.562 . . . 1.0 . . . . . . . . . . . . A . 4 DA C1' . . . . . . . . . rr_1b5k 1
. 2 . 791 . 1 1 4 DA C2 C -0.905 -5.157 9.310 . . . 1.0 . . . . . . . . . . . . A . 4 DA C2 . . . . . . . . . rr_1b5k 1
. 2 . 792 . 1 1 4 DA C2' C 3.528 -3.566 6.183 . . . 1.0 . . . . . . . . . . . . A . 4 DA C2' . . . . . . . . . rr_1b5k 1
. 2 . 793 . 1 1 4 DA C3' C 3.428 -3.681 4.677 . . . 1.0 . . . . . . . . . . . . A . 4 DA C3' . . . . . . . . . rr_1b5k 1
. 2 . 794 . 1 1 4 DA C4 C 1.224 -5.047 8.752 . . . 1.0 . . . . . . . . . . . . A . 4 DA C4 . . . . . . . . . rr_1b5k 1
. 2 . 795 . 1 1 4 DA C4' C 3.311 -5.205 4.532 . . . 1.0 . . . . . . . . . . . . A . 4 DA C4' . . . . . . . . . rr_1b5k 1
. 2 . 796 . 1 1 4 DA C5 C 1.641 -5.377 10.015 . . . 1.0 . . . . . . . . . . . . A . 4 DA C5 . . . . . . . . . rr_1b5k 1
. 2 . 797 . 1 1 4 DA C5' C 4.638 -5.883 4.168 . . . 1.0 . . . . . . . . . . . . A . 4 DA C5' . . . . . . . . . rr_1b5k 1
. 2 . 798 . 1 1 4 DA C6 C 0.640 -5.607 10.968 . . . 1.0 . . . . . . . . . . . . A . 4 DA C6 . . . . . . . . . rr_1b5k 1
. 2 . 799 . 1 1 4 DA C8 C 3.380 -5.110 8.870 . . . 1.0 . . . . . . . . . . . . A . 4 DA C8 . . . . . . . . . rr_1b5k 1
. 2 . 800 . 1 1 4 DA H1' H 1.452 -4.105 6.249 . . . 1.0 . . . . . . . . . . . . A . 4 DA H1' . . . . . . . . . rr_1b5k 1
. 2 . 801 . 1 1 4 DA H2 H -1.961 -5.074 9.054 . . . 1.0 . . . . . . . . . . . . A . 4 DA H2 . . . . . . . . . rr_1b5k 1
. 2 . 802 . 1 1 4 DA H2' H 4.472 -3.996 6.519 . . . 1.0 . . . . . . . . . . . . A . 4 DA H2' . . . . . . . . . rr_1b5k 1
. 2 . 803 . 1 1 4 DA H2'' H 3.398 -2.548 6.546 . . . 1.0 . . . . . . . . . . . . A . 4 DA H2'' . . . . . . . . . rr_1b5k 1
. 2 . 804 . 1 1 4 DA H3' H 4.320 -3.313 4.168 . . . 1.0 . . . . . . . . . . . . A . 4 DA H3' . . . . . . . . . rr_1b5k 1
. 2 . 805 . 1 1 4 DA H4' H 2.603 -5.396 3.726 . . . 1.0 . . . . . . . . . . . . A . 4 DA H4' . . . . . . . . . rr_1b5k 1
. 2 . 806 . 1 1 4 DA H5' H 4.482 -6.961 4.125 . . . 1.0 . . . . . . . . . . . . A . 4 DA H5' . . . . . . . . . rr_1b5k 1
. 2 . 807 . 1 1 4 DA H5'' H 4.941 -5.532 3.181 . . . 1.0 . . . . . . . . . . . . A . 4 DA H5'' . . . . . . . . . rr_1b5k 1
. 2 . 808 . 1 1 4 DA H61 H 0.164 -6.164 12.956 . . . 1.0 . . . . . . . . . . . . A . 4 DA H61 . . . . . . . . . rr_1b5k 1
. 2 . 809 . 1 1 4 DA H62 H 1.884 -6.009 12.633 . . . 1.0 . . . . . . . . . . . . A . 4 DA H62 . . . . . . . . . rr_1b5k 1
. 2 . 810 . 1 1 4 DA H8 H 4.425 -5.047 8.566 . . . 1.0 . . . . . . . . . . . . A . 4 DA H8 . . . . . . . . . rr_1b5k 1
. 2 . 811 . 1 1 4 DA N1 N -0.635 -5.484 10.569 . . . 1.0 . . . . . . . . . . . . A . 4 DA N1 . . . . . . . . . rr_1b5k 1
. 2 . 812 . 1 1 4 DA N3 N -0.053 -4.918 8.326 . . . 1.0 . . . . . . . . . . . . A . 4 DA N3 . . . . . . . . . rr_1b5k 1
. 2 . 813 . 1 1 4 DA N6 N 0.924 -5.962 12.322 . . . 1.0 . . . . . . . . . . . . A . 4 DA N6 . . . . . . . . . rr_1b5k 1
. 2 . 814 . 1 1 4 DA N7 N 3.034 -5.417 10.085 . . . 1.0 . . . . . . . . . . . . A . 4 DA N7 . . . . . . . . . rr_1b5k 1
. 2 . 815 . 1 1 4 DA N9 N 2.360 -4.873 7.997 . . . 1.0 . . . . . . . . . . . . A . 4 DA N9 . . . . . . . . . rr_1b5k 1
. 2 . 816 . 1 1 4 DA O3' O 2.287 -3.028 4.085 . . . 1.0 . . . . . . . . . . . . A . 4 DA O3' . . . . . . . . . rr_1b5k 1
. 2 . 817 . 1 1 4 DA O4' O 2.714 -5.675 5.761 . . . 1.0 . . . . . . . . . . . . A . 4 DA O4' . . . . . . . . . rr_1b5k 1
. 2 . 818 . 1 1 4 DA O5' O 5.692 -5.588 5.101 . . . 1.0 . . . . . . . . . . . . A . 4 DA O5' . . . . . . . . . rr_1b5k 1
. 2 . 819 . 1 1 4 DA OP1 O 7.441 -5.932 3.320 . . . 1.0 . . . . . . . . . . . . A . 4 DA OP1 . . . . . . . . . rr_1b5k 1
. 2 . 820 . 1 1 4 DA OP2 O 8.084 -5.076 5.643 . . . 1.0 . . . . . . . . . . . . A . 4 DA OP2 . . . . . . . . . rr_1b5k 1
. 2 . 821 . 1 1 4 DA P P 7.238 -5.941 4.788 . . . 1.0 . . . . . . . . . . . . A . 4 DA P . . . . . . . . . rr_1b5k 1
. 2 . 822 . 1 1 5 DC C1' C -2.348 -1.050 7.168 . . . 1.0 . . . . . . . . . . . . A . 5 DC C1' . . . . . . . . . rr_1b5k 1
. 2 . 823 . 1 1 5 DC C2 C -1.945 -1.821 9.476 . . . 1.0 . . . . . . . . . . . . A . 5 DC C2 . . . . . . . . . rr_1b5k 1
. 2 . 824 . 1 1 5 DC C2' C -1.849 0.132 6.310 . . . 1.0 . . . . . . . . . . . . A . 5 DC C2' . . . . . . . . . rr_1b5k 1
. 2 . 825 . 1 1 5 DC C3' C -2.311 -0.246 4.915 . . . 1.0 . . . . . . . . . . . . A . 5 DC C3' . . . . . . . . . rr_1b5k 1
. 2 . 826 . 1 1 5 DC C4 C 0.217 -2.153 10.321 . . . 1.0 . . . . . . . . . . . . A . 5 DC C4 . . . . . . . . . rr_1b5k 1
. 2 . 827 . 1 1 5 DC C4' C -2.092 -1.758 4.935 . . . 1.0 . . . . . . . . . . . . A . 5 DC C4' . . . . . . . . . rr_1b5k 1
. 2 . 828 . 1 1 5 DC C5 C 0.800 -1.758 9.086 . . . 1.0 . . . . . . . . . . . . A . 5 DC C5 . . . . . . . . . rr_1b5k 1
. 2 . 829 . 1 1 5 DC C5' C -0.734 -2.213 4.377 . . . 1.0 . . . . . . . . . . . . A . 5 DC C5' . . . . . . . . . rr_1b5k 1
. 2 . 830 . 1 1 5 DC C6 C -0.035 -1.409 8.086 . . . 1.0 . . . . . . . . . . . . A . 5 DC C6 . . . . . . . . . rr_1b5k 1
. 2 . 831 . 1 1 5 DC H1' H -3.332 -0.838 7.585 . . . 1.0 . . . . . . . . . . . . A . 5 DC H1' . . . . . . . . . rr_1b5k 1
. 2 . 832 . 1 1 5 DC H2' H -0.761 0.095 6.259 . . . 1.0 . . . . . . . . . . . . A . 5 DC H2' . . . . . . . . . rr_1b5k 1
. 2 . 833 . 1 1 5 DC H2'' H -2.187 1.103 6.675 . . . 1.0 . . . . . . . . . . . . A . 5 DC H2'' . . . . . . . . . rr_1b5k 1
. 2 . 834 . 1 1 5 DC H3' H -1.687 0.202 4.142 . . . 1.0 . . . . . . . . . . . . A . 5 DC H3' . . . . . . . . . rr_1b5k 1
. 2 . 835 . 1 1 5 DC H4' H -2.858 -2.208 4.302 . . . 1.0 . . . . . . . . . . . . A . 5 DC H4' . . . . . . . . . rr_1b5k 1
. 2 . 836 . 1 1 5 DC H41 H 0.649 -2.808 12.281 . . . 1.0 . . . . . . . . . . . . A . 5 DC H41 . . . . . . . . . rr_1b5k 1
. 2 . 837 . 1 1 5 DC H42 H 2.069 -2.525 11.280 . . . 1.0 . . . . . . . . . . . . A . 5 DC H42 . . . . . . . . . rr_1b5k 1
. 2 . 838 . 1 1 5 DC H5 H 1.884 -1.739 8.979 . . . 1.0 . . . . . . . . . . . . A . 5 DC H5 . . . . . . . . . rr_1b5k 1
. 2 . 839 . 1 1 5 DC H5' H -0.686 -3.300 4.437 . . . 1.0 . . . . . . . . . . . . A . 5 DC H5' . . . . . . . . . rr_1b5k 1
. 2 . 840 . 1 1 5 DC H5'' H -0.686 -1.920 3.329 . . . 1.0 . . . . . . . . . . . . A . 5 DC H5'' . . . . . . . . . rr_1b5k 1
. 2 . 841 . 1 1 5 DC H6 H 0.414 -1.120 7.137 . . . 1.0 . . . . . . . . . . . . A . 5 DC H6 . . . . . . . . . rr_1b5k 1
. 2 . 842 . 1 1 5 DC N1 N -1.401 -1.432 8.260 . . . 1.0 . . . . . . . . . . . . A . 5 DC N1 . . . . . . . . . rr_1b5k 1
. 2 . 843 . 1 1 5 DC N3 N -1.107 -2.175 10.483 . . . 1.0 . . . . . . . . . . . . A . 5 DC N3 . . . . . . . . . rr_1b5k 1
. 2 . 844 . 1 1 5 DC N4 N 1.067 -2.533 11.403 . . . 1.0 . . . . . . . . . . . . A . 5 DC N4 . . . . . . . . . rr_1b5k 1
. 2 . 845 . 1 1 5 DC O2 O -3.158 -1.855 9.655 . . . 1.0 . . . . . . . . . . . . A . 5 DC O2 . . . . . . . . . rr_1b5k 1
. 2 . 846 . 1 1 5 DC O3' O -3.671 0.073 4.607 . . . 1.0 . . . . . . . . . . . . A . 5 DC O3' . . . . . . . . . rr_1b5k 1
. 2 . 847 . 1 1 5 DC O4' O -2.355 -2.188 6.285 . . . 1.0 . . . . . . . . . . . . A . 5 DC O4' . . . . . . . . . rr_1b5k 1
. 2 . 848 . 1 1 5 DC O5' O 0.397 -1.668 5.078 . . . 1.0 . . . . . . . . . . . . A . 5 DC O5' . . . . . . . . . rr_1b5k 1
. 2 . 849 . 1 1 5 DC OP1 O 1.607 -0.859 3.024 . . . 1.0 . . . . . . . . . . . . A . 5 DC OP1 . . . . . . . . . rr_1b5k 1
. 2 . 850 . 1 1 5 DC OP2 O 2.753 -0.865 5.313 . . . 1.0 . . . . . . . . . . . . A . 5 DC OP2 . . . . . . . . . rr_1b5k 1
. 2 . 851 . 1 1 5 DC P P 1.828 -1.495 4.342 . . . 1.0 . . . . . . . . . . . . A . 5 DC P . . . . . . . . . rr_1b5k 1
. 2 . 852 . 1 1 6 EDC C1' C -6.299 1.304 8.948 . . . 1.0 . . . . . . . . . . . . A . 6 EDC C1' . . . . . . . . . rr_1b5k 1
. 2 . 853 . 1 1 6 EDC C2 C -3.971 1.216 9.923 . . . 1.0 . . . . . . . . . . . . A . 6 EDC C2 . . . . . . . . . rr_1b5k 1
. 2 . 854 . 1 1 6 EDC C2' C -6.236 2.694 8.383 . . . 1.0 . . . . . . . . . . . . A . 6 EDC C2' . . . . . . . . . rr_1b5k 1
. 2 . 855 . 1 1 6 EDC C3' C -7.346 2.565 7.350 . . . 1.0 . . . . . . . . . . . . A . 6 EDC C3' . . . . . . . . . rr_1b5k 1
. 2 . 856 . 1 1 6 EDC C4 C -3.763 0.343 12.165 . . . 1.0 . . . . . . . . . . . . A . 6 EDC C4 . . . . . . . . . rr_1b5k 1
. 2 . 857 . 1 1 6 EDC C4' C -7.075 1.152 6.802 . . . 1.0 . . . . . . . . . . . . A . 6 EDC C4' . . . . . . . . . rr_1b5k 1
. 2 . 858 . 1 1 6 EDC C5 C -5.161 0.108 12.260 . . . 1.0 . . . . . . . . . . . . A . 6 EDC C5 . . . . . . . . . rr_1b5k 1
. 2 . 859 . 1 1 6 EDC C5' C -6.448 1.150 5.418 . . . 1.0 . . . . . . . . . . . . A . 6 EDC C5' . . . . . . . . . rr_1b5k 1
. 2 . 860 . 1 1 6 EDC C6 C -5.887 0.437 11.176 . . . 1.0 . . . . . . . . . . . . A . 6 EDC C6 . . . . . . . . . rr_1b5k 1
. 2 . 861 . 1 1 6 EDC C7 C -1.646 0.505 12.462 . . . 1.0 . . . . . . . . . . . . A . 6 EDC C7 . . . . . . . . . rr_1b5k 1
. 2 . 862 . 1 1 6 EDC C8 C -1.917 0.969 11.227 . . . 1.0 . . . . . . . . . . . . A . 6 EDC C8 . . . . . . . . . rr_1b5k 1
. 2 . 863 . 1 1 6 EDC H1' H -7.302 1.270 9.372 . . . 1.0 . . . . . . . . . . . . A . 6 EDC H1' . . . . . . . . . rr_1b5k 1
. 2 . 864 . 1 1 6 EDC H2' H -5.256 2.801 7.915 . . . 1.0 . . . . . . . . . . . . A . 6 EDC H2' . . . . . . . . . rr_1b5k 1
. 2 . 865 . 1 1 6 EDC H2'' H -6.430 3.422 9.169 . . . 1.0 . . . . . . . . . . . . A . 6 EDC H2'' . . . . . . . . . rr_1b5k 1
. 2 . 866 . 1 1 6 EDC H3' H -7.281 3.314 6.561 . . . 1.0 . . . . . . . . . . . . A . 6 EDC H3' . . . . . . . . . rr_1b5k 1
. 2 . 867 . 1 1 6 EDC H4' H -8.037 0.643 6.744 . . . 1.0 . . . . . . . . . . . . A . 6 EDC H4' . . . . . . . . . rr_1b5k 1
. 2 . 868 . 1 1 6 EDC H5 H -5.648 -0.296 13.146 . . . 1.0 . . . . . . . . . . . . A . 6 EDC H5 . . . . . . . . . rr_1b5k 1
. 2 . 869 . 1 1 6 EDC H5' H -6.296 0.114 5.117 . . . 1.0 . . . . . . . . . . . . A . 6 EDC H5' . . . . . . . . . rr_1b5k 1
. 2 . 870 . 1 1 6 EDC H5'' H -7.135 1.625 4.716 . . . 1.0 . . . . . . . . . . . . A . 6 EDC H5'' . . . . . . . . . rr_1b5k 1
. 2 . 871 . 1 1 6 EDC H6 H -6.963 0.259 11.165 . . . 1.0 . . . . . . . . . . . . A . 6 EDC H6 . . . . . . . . . rr_1b5k 1
. 2 . 872 . 1 1 6 EDC H7 H -0.653 0.455 12.907 . . . 1.0 . . . . . . . . . . . . A . 6 EDC H7 . . . . . . . . . rr_1b5k 1
. 2 . 873 . 1 1 6 EDC H8 H -1.198 1.361 10.506 . . . 1.0 . . . . . . . . . . . . A . 6 EDC H8 . . . . . . . . . rr_1b5k 1
. 2 . 874 . 1 1 6 EDC N1 N -5.344 0.973 10.042 . . . 1.0 . . . . . . . . . . . . A . 6 EDC N1 . . . . . . . . . rr_1b5k 1
. 2 . 875 . 1 1 6 EDC N3 N -3.234 0.866 11.049 . . . 1.0 . . . . . . . . . . . . A . 6 EDC N3 . . . . . . . . . rr_1b5k 1
. 2 . 876 . 1 1 6 EDC N4 N -2.835 0.088 13.106 . . . 1.0 . . . . . . . . . . . . A . 6 EDC N4 . . . . . . . . . rr_1b5k 1
. 2 . 877 . 1 1 6 EDC O2 O -3.516 1.697 8.887 . . . 1.0 . . . . . . . . . . . . A . 6 EDC O2 . . . . . . . . . rr_1b5k 1
. 2 . 878 . 1 1 6 EDC O3' O -8.666 2.615 7.921 . . . 1.0 . . . . . . . . . . . . A . 6 EDC O3' . . . . . . . . . rr_1b5k 1
. 2 . 879 . 1 1 6 EDC O4' O -6.267 0.468 7.790 . . . 1.0 . . . . . . . . . . . . A . 6 EDC O4' . . . . . . . . . rr_1b5k 1
. 2 . 880 . 1 1 6 EDC O5' O -5.202 1.856 5.391 . . . 1.0 . . . . . . . . . . . . A . 6 EDC O5' . . . . . . . . . rr_1b5k 1
. 2 . 881 . 1 1 6 EDC OP1 O -4.854 1.522 2.929 . . . 1.0 . . . . . . . . . . . . A . 6 EDC OP1 . . . . . . . . . rr_1b5k 1
. 2 . 882 . 1 1 6 EDC OP2 O -3.002 2.506 4.402 . . . 1.0 . . . . . . . . . . . . A . 6 EDC OP2 . . . . . . . . . rr_1b5k 1
. 2 . 883 . 1 1 6 EDC P P -4.138 1.571 4.226 . . . 1.0 . . . . . . . . . . . . A . 6 EDC P . . . . . . . . . rr_1b5k 1
. 2 . 884 . 1 1 7 DC C1' C -6.907 3.622 13.226 . . . 1.0 . . . . . . . . . . . . A . 7 DC C1' . . . . . . . . . rr_1b5k 1
. 2 . 885 . 1 1 7 DC C2 C -4.493 3.270 13.558 . . . 1.0 . . . . . . . . . . . . A . 7 DC C2 . . . . . . . . . rr_1b5k 1
. 2 . 886 . 1 1 7 DC C2' C -7.845 4.781 12.899 . . . 1.0 . . . . . . . . . . . . A . 7 DC C2' . . . . . . . . . rr_1b5k 1
. 2 . 887 . 1 1 7 DC C3' C -9.162 4.112 13.207 . . . 1.0 . . . . . . . . . . . . A . 7 DC C3' . . . . . . . . . rr_1b5k 1
. 2 . 888 . 1 1 7 DC C4 C -2.913 4.013 11.994 . . . 1.0 . . . . . . . . . . . . A . 7 DC C4 . . . . . . . . . rr_1b5k 1
. 2 . 889 . 1 1 7 DC C4' C -8.942 2.755 12.516 . . . 1.0 . . . . . . . . . . . . A . 7 DC C4' . . . . . . . . . rr_1b5k 1
. 2 . 890 . 1 1 7 DC C5 C -3.940 4.555 11.156 . . . 1.0 . . . . . . . . . . . . A . 7 DC C5 . . . . . . . . . rr_1b5k 1
. 2 . 891 . 1 1 7 DC C5' C -9.455 2.701 11.071 . . . 1.0 . . . . . . . . . . . . A . 7 DC C5' . . . . . . . . . rr_1b5k 1
. 2 . 892 . 1 1 7 DC C6 C -5.211 4.418 11.576 . . . 1.0 . . . . . . . . . . . . A . 7 DC C6 . . . . . . . . . rr_1b5k 1
. 2 . 893 . 1 1 7 DC H1' H -6.926 3.460 14.304 . . . 1.0 . . . . . . . . . . . . A . 7 DC H1' . . . . . . . . . rr_1b5k 1
. 2 . 894 . 1 1 7 DC H2' H -7.829 4.974 11.827 . . . 1.0 . . . . . . . . . . . . A . 7 DC H2' . . . . . . . . . rr_1b5k 1
. 2 . 895 . 1 1 7 DC H2'' H -7.644 5.678 13.485 . . . 1.0 . . . . . . . . . . . . A . 7 DC H2'' . . . . . . . . . rr_1b5k 1
. 2 . 896 . 1 1 7 DC H3' H -9.998 4.643 12.749 . . . 1.0 . . . . . . . . . . . . A . 7 DC H3' . . . . . . . . . rr_1b5k 1
. 2 . 897 . 1 1 7 DC H4' H -9.467 1.995 13.096 . . . 1.0 . . . . . . . . . . . . A . 7 DC H4' . . . . . . . . . rr_1b5k 1
. 2 . 898 . 1 1 7 DC H41 H -0.841 3.740 12.234 . . . 1.0 . . . . . . . . . . . . A . 7 DC H41 . . . . . . . . . rr_1b5k 1
. 2 . 899 . 1 1 7 DC H42 H -1.287 4.559 10.738 . . . 1.0 . . . . . . . . . . . . A . 7 DC H42 . . . . . . . . . rr_1b5k 1
. 2 . 900 . 1 1 7 DC H5 H -3.726 5.065 10.217 . . . 1.0 . . . . . . . . . . . . A . 7 DC H5 . . . . . . . . . rr_1b5k 1
. 2 . 901 . 1 1 7 DC H5' H -9.270 1.702 10.675 . . . 1.0 . . . . . . . . . . . . A . 7 DC H5' . . . . . . . . . rr_1b5k 1
. 2 . 902 . 1 1 7 DC H5'' H -10.529 2.884 11.072 . . . 1.0 . . . . . . . . . . . . A . 7 DC H5'' . . . . . . . . . rr_1b5k 1
. 2 . 903 . 1 1 7 DC H6 H -5.999 4.828 10.944 . . . 1.0 . . . . . . . . . . . . A . 7 DC H6 . . . . . . . . . rr_1b5k 1
. 2 . 904 . 1 1 7 DC N1 N -5.505 3.787 12.757 . . . 1.0 . . . . . . . . . . . . A . 7 DC N1 . . . . . . . . . rr_1b5k 1
. 2 . 905 . 1 1 7 DC N3 N -3.208 3.400 13.144 . . . 1.0 . . . . . . . . . . . . A . 7 DC N3 . . . . . . . . . rr_1b5k 1
. 2 . 906 . 1 1 7 DC N4 N -1.541 4.117 11.610 . . . 1.0 . . . . . . . . . . . . A . 7 DC N4 . . . . . . . . . rr_1b5k 1
. 2 . 907 . 1 1 7 DC O2 O -4.732 2.707 14.621 . . . 1.0 . . . . . . . . . . . . A . 7 DC O2 . . . . . . . . . rr_1b5k 1
. 2 . 908 . 1 1 7 DC O3' O -9.434 3.960 14.614 . . . 1.0 . . . . . . . . . . . . A . 7 DC O3' . . . . . . . . . rr_1b5k 1
. 2 . 909 . 1 1 7 DC O4' O -7.526 2.490 12.598 . . . 1.0 . . . . . . . . . . . . A . 7 DC O4' . . . . . . . . . rr_1b5k 1
. 2 . 910 . 1 1 7 DC O5' O -8.813 3.665 10.219 . . . 1.0 . . . . . . . . . . . . A . 7 DC O5' . . . . . . . . . rr_1b5k 1
. 2 . 911 . 1 1 7 DC OP1 O -10.748 3.820 8.623 . . . 1.0 . . . . . . . . . . . . A . 7 DC OP1 . . . . . . . . . rr_1b5k 1
. 2 . 912 . 1 1 7 DC OP2 O -8.586 5.119 8.191 . . . 1.0 . . . . . . . . . . . . A . 7 DC OP2 . . . . . . . . . rr_1b5k 1
. 2 . 913 . 1 1 7 DC P P -9.271 3.904 8.689 . . . 1.0 . . . . . . . . . . . . A . 7 DC P . . . . . . . . . rr_1b5k 1
. 2 . 914 . 1 1 8 DA C1' C -5.718 5.402 18.668 . . . 1.0 . . . . . . . . . . . . A . 8 DA C1' . . . . . . . . . rr_1b5k 1
. 2 . 915 . 1 1 8 DA C2 C -1.498 5.199 17.538 . . . 1.0 . . . . . . . . . . . . A . 8 DA C2 . . . . . . . . . rr_1b5k 1
. 2 . 916 . 1 1 8 DA C2' C -6.862 6.400 18.867 . . . 1.0 . . . . . . . . . . . . A . 8 DA C2' . . . . . . . . . rr_1b5k 1
. 2 . 917 . 1 1 8 DA C3' C -7.823 5.572 19.694 . . . 1.0 . . . . . . . . . . . . A . 8 DA C3' . . . . . . . . . rr_1b5k 1
. 2 . 918 . 1 1 8 DA C4 C -3.642 5.547 17.183 . . . 1.0 . . . . . . . . . . . . A . 8 DA C4 . . . . . . . . . rr_1b5k 1
. 2 . 919 . 1 1 8 DA C4' C -7.728 4.231 18.960 . . . 1.0 . . . . . . . . . . . . A . 8 DA C4' . . . . . . . . . rr_1b5k 1
. 2 . 920 . 1 1 8 DA C5 C -3.441 5.850 15.860 . . . 1.0 . . . . . . . . . . . . A . 8 DA C5 . . . . . . . . . rr_1b5k 1
. 2 . 921 . 1 1 8 DA C5' C -8.748 4.042 17.825 . . . 1.0 . . . . . . . . . . . . A . 8 DA C5' . . . . . . . . . rr_1b5k 1
. 2 . 922 . 1 1 8 DA C6 C -2.124 5.803 15.399 . . . 1.0 . . . . . . . . . . . . A . 8 DA C6 . . . . . . . . . rr_1b5k 1
. 2 . 923 . 1 1 8 DA C8 C -5.497 6.019 16.190 . . . 1.0 . . . . . . . . . . . . A . 8 DA C8 . . . . . . . . . rr_1b5k 1
. 2 . 924 . 1 1 8 DA H1' H -5.051 5.388 19.531 . . . 1.0 . . . . . . . . . . . . A . 8 DA H1' . . . . . . . . . rr_1b5k 1
. 2 . 925 . 1 1 8 DA H2 H -0.673 4.936 18.200 . . . 1.0 . . . . . . . . . . . . A . 8 DA H2 . . . . . . . . . rr_1b5k 1
. 2 . 926 . 1 1 8 DA H2' H -7.339 6.566 17.901 . . . 1.0 . . . . . . . . . . . . A . 8 DA H2' . . . . . . . . . rr_1b5k 1
. 2 . 927 . 1 1 8 DA H2'' H -6.547 7.346 19.308 . . . 1.0 . . . . . . . . . . . . A . 8 DA H2'' . . . . . . . . . rr_1b5k 1
. 2 . 928 . 1 1 8 DA H3' H -8.844 5.952 19.647 . . . 1.0 . . . . . . . . . . . . A . 8 DA H3' . . . . . . . . . rr_1b5k 1
. 2 . 929 . 1 1 8 DA H4' H -7.900 3.439 19.689 . . . 1.0 . . . . . . . . . . . . A . 8 DA H4' . . . . . . . . . rr_1b5k 1
. 2 . 930 . 1 1 8 DA H5' H -8.602 3.052 17.394 . . . 1.0 . . . . . . . . . . . . A . 8 DA H5' . . . . . . . . . rr_1b5k 1
. 2 . 931 . 1 1 8 DA H5'' H -9.753 4.101 18.242 . . . 1.0 . . . . . . . . . . . . A . 8 DA H5'' . . . . . . . . . rr_1b5k 1
. 2 . 932 . 1 1 8 DA H61 H -0.811 6.013 13.749 . . . 1.0 . . . . . . . . . . . . A . 8 DA H61 . . . . . . . . . rr_1b5k 1
. 2 . 933 . 1 1 8 DA H62 H -2.495 6.369 13.396 . . . 1.0 . . . . . . . . . . . . A . 8 DA H62 . . . . . . . . . rr_1b5k 1
. 2 . 934 . 1 1 8 DA H8 H -6.564 6.196 16.052 . . . 1.0 . . . . . . . . . . . . A . 8 DA H8 . . . . . . . . . rr_1b5k 1
. 2 . 935 . 1 1 8 DA N1 N -1.171 5.470 16.280 . . . 1.0 . . . . . . . . . . . . A . 8 DA N1 . . . . . . . . . rr_1b5k 1
. 2 . 936 . 1 1 8 DA N3 N -2.702 5.209 18.090 . . . 1.0 . . . . . . . . . . . . A . 8 DA N3 . . . . . . . . . rr_1b5k 1
. 2 . 937 . 1 1 8 DA N6 N -1.774 6.091 14.045 . . . 1.0 . . . . . . . . . . . . A . 8 DA N6 . . . . . . . . . rr_1b5k 1
. 2 . 938 . 1 1 8 DA N7 N -4.642 6.154 15.224 . . . 1.0 . . . . . . . . . . . . A . 8 DA N7 . . . . . . . . . rr_1b5k 1
. 2 . 939 . 1 1 8 DA N9 N -4.992 5.656 17.404 . . . 1.0 . . . . . . . . . . . . A . 8 DA N9 . . . . . . . . . rr_1b5k 1
. 2 . 940 . 1 1 8 DA O3' O -7.489 5.419 21.084 . . . 1.0 . . . . . . . . . . . . A . 8 DA O3' . . . . . . . . . rr_1b5k 1
. 2 . 941 . 1 1 8 DA O4' O -6.364 4.125 18.511 . . . 1.0 . . . . . . . . . . . . A . 8 DA O4' . . . . . . . . . rr_1b5k 1
. 2 . 942 . 1 1 8 DA O5' O -8.608 5.020 16.778 . . . 1.0 . . . . . . . . . . . . A . 8 DA O5' . . . . . . . . . rr_1b5k 1
. 2 . 943 . 1 1 8 DA OP1 O -11.056 5.014 16.210 . . . 1.0 . . . . . . . . . . . . A . 8 DA OP1 . . . . . . . . . rr_1b5k 1
. 2 . 944 . 1 1 8 DA OP2 O -9.404 6.467 14.907 . . . 1.0 . . . . . . . . . . . . A . 8 DA OP2 . . . . . . . . . rr_1b5k 1
. 2 . 945 . 1 1 8 DA P P -9.714 5.204 15.615 . . . 1.0 . . . . . . . . . . . . A . 8 DA P . . . . . . . . . rr_1b5k 1
. 2 . 946 . 1 1 9 DT C1' C -2.343 7.869 20.812 . . . 1.0 . . . . . . . . . . . . A . 9 DT C1' . . . . . . . . . rr_1b5k 1
. 2 . 947 . 1 1 9 DT C2 C -1.281 8.184 18.612 . . . 1.0 . . . . . . . . . . . . A . 9 DT C2 . . . . . . . . . rr_1b5k 1
. 2 . 948 . 1 1 9 DT C2' C -3.119 8.792 21.753 . . . 1.0 . . . . . . . . . . . . A . 9 DT C2' . . . . . . . . . rr_1b5k 1
. 2 . 949 . 1 1 9 DT C3' C -3.063 7.963 23.016 . . . 1.0 . . . . . . . . . . . . A . 9 DT C3' . . . . . . . . . rr_1b5k 1
. 2 . 950 . 1 1 9 DT C4 C -2.579 8.884 16.644 . . . 1.0 . . . . . . . . . . . . A . 9 DT C4 . . . . . . . . . rr_1b5k 1
. 2 . 951 . 1 1 9 DT C4' C -3.336 6.560 22.450 . . . 1.0 . . . . . . . . . . . . A . 9 DT C4' . . . . . . . . . rr_1b5k 1
. 2 . 952 . 1 1 9 DT C5 C -3.743 8.906 17.501 . . . 1.0 . . . . . . . . . . . . A . 9 DT C5 . . . . . . . . . rr_1b5k 1
. 2 . 953 . 1 1 9 DT C5' C -4.777 6.084 22.642 . . . 1.0 . . . . . . . . . . . . A . 9 DT C5' . . . . . . . . . rr_1b5k 1
. 2 . 954 . 1 1 9 DT C6 C -3.643 8.584 18.804 . . . 1.0 . . . . . . . . . . . . A . 9 DT C6 . . . . . . . . . rr_1b5k 1
. 2 . 955 . 1 1 9 DT C7 C -5.109 9.303 16.929 . . . 1.0 . . . . . . . . . . . . A . 9 DT C7 . . . . . . . . . rr_1b5k 1
. 2 . 956 . 1 1 9 DT H1' H -1.300 7.830 21.127 . . . 1.0 . . . . . . . . . . . . A . 9 DT H1' . . . . . . . . . rr_1b5k 1
. 2 . 957 . 1 1 9 DT H2' H -4.159 8.829 21.432 . . . 1.0 . . . . . . . . . . . . A . 9 DT H2' . . . . . . . . . rr_1b5k 1
. 2 . 958 . 1 1 9 DT H2'' H -2.685 9.787 21.848 . . . 1.0 . . . . . . . . . . . . A . 9 DT H2'' . . . . . . . . . rr_1b5k 1
. 2 . 959 . 1 1 9 DT H3 H -0.576 8.491 16.721 . . . 1.0 . . . . . . . . . . . . A . 9 DT H3 . . . . . . . . . rr_1b5k 1
. 2 . 960 . 1 1 9 DT H3' H -3.846 8.247 23.720 . . . 1.0 . . . . . . . . . . . . A . 9 DT H3' . . . . . . . . . rr_1b5k 1
. 2 . 961 . 1 1 9 DT H4' H -2.675 5.868 22.973 . . . 1.0 . . . . . . . . . . . . A . 9 DT H4' . . . . . . . . . rr_1b5k 1
. 2 . 962 . 1 1 9 DT H5' H -4.871 5.088 22.210 . . . 1.0 . . . . . . . . . . . . A . 9 DT H5' . . . . . . . . . rr_1b5k 1
. 2 . 963 . 1 1 9 DT H5'' H -4.988 6.026 23.711 . . . 1.0 . . . . . . . . . . . . A . 9 DT H5'' . . . . . . . . . rr_1b5k 1
. 2 . 964 . 1 1 9 DT H6 H -4.547 8.612 19.414 . . . 1.0 . . . . . . . . . . . . A . 9 DT H6 . . . . . . . . . rr_1b5k 1
. 2 . 965 . 1 1 9 DT H71 H -5.462 10.207 17.427 . . . 1.0 . . . . . . . . . . . . A . 9 DT H71 . . . . . . . . . rr_1b5k 1
. 2 . 966 . 1 1 9 DT H72 H -5.028 9.493 15.859 . . . 1.0 . . . . . . . . . . . . A . 9 DT H72 . . . . . . . . . rr_1b5k 1
. 2 . 967 . 1 1 9 DT H73 H -5.830 8.504 17.097 . . . 1.0 . . . . . . . . . . . . A . 9 DT H73 . . . . . . . . . rr_1b5k 1
. 2 . 968 . 1 1 9 DT N1 N -2.443 8.228 19.371 . . . 1.0 . . . . . . . . . . . . A . 9 DT N1 . . . . . . . . . rr_1b5k 1
. 2 . 969 . 1 1 9 DT N3 N -1.415 8.517 17.282 . . . 1.0 . . . . . . . . . . . . A . 9 DT N3 . . . . . . . . . rr_1b5k 1
. 2 . 970 . 1 1 9 DT O2 O -0.182 7.872 19.063 . . . 1.0 . . . . . . . . . . . . A . 9 DT O2 . . . . . . . . . rr_1b5k 1
. 2 . 971 . 1 1 9 DT O3' O -1.804 8.022 23.708 . . . 1.0 . . . . . . . . . . . . A . 9 DT O3' . . . . . . . . . rr_1b5k 1
. 2 . 972 . 1 1 9 DT O4 O -2.555 9.148 15.447 . . . 1.0 . . . . . . . . . . . . A . 9 DT O4 . . . . . . . . . rr_1b5k 1
. 2 . 973 . 1 1 9 DT O4' O -2.939 6.589 21.062 . . . 1.0 . . . . . . . . . . . . A . 9 DT O4' . . . . . . . . . rr_1b5k 1
. 2 . 974 . 1 1 9 DT O5' O -5.736 6.956 22.023 . . . 1.0 . . . . . . . . . . . . A . 9 DT O5' . . . . . . . . . rr_1b5k 1
. 2 . 975 . 1 1 9 DT OP1 O -7.641 6.177 23.467 . . . 1.0 . . . . . . . . . . . . A . 9 DT OP1 . . . . . . . . . rr_1b5k 1
. 2 . 976 . 1 1 9 DT OP2 O -8.036 7.834 21.557 . . . 1.0 . . . . . . . . . . . . A . 9 DT OP2 . . . . . . . . . rr_1b5k 1
. 2 . 977 . 1 1 9 DT P P -7.319 6.658 22.105 . . . 1.0 . . . . . . . . . . . . A . 9 DT P . . . . . . . . . rr_1b5k 1
. 2 . 978 . 1 1 10 DG C1' C 1.807 11.097 20.177 . . . 1.0 . . . . . . . . . . . . A . 10 DG C1' . . . . . . . . . rr_1b5k 1
. 2 . 979 . 1 1 10 DG C2 C 2.447 11.509 15.917 . . . 1.0 . . . . . . . . . . . . A . 10 DG C2 . . . . . . . . . rr_1b5k 1
. 2 . 980 . 1 1 10 DG C2' C 1.563 12.020 21.356 . . . 1.0 . . . . . . . . . . . . A . 10 DG C2' . . . . . . . . . rr_1b5k 1
. 2 . 981 . 1 1 10 DG C3' C 2.433 11.331 22.397 . . . 1.0 . . . . . . . . . . . . A . 10 DG C3' . . . . . . . . . rr_1b5k 1
. 2 . 982 . 1 1 10 DG C4 C 1.174 11.379 17.739 . . . 1.0 . . . . . . . . . . . . A . 10 DG C4 . . . . . . . . . rr_1b5k 1
. 2 . 983 . 1 1 10 DG C4' C 2.110 9.856 22.121 . . . 1.0 . . . . . . . . . . . . A . 10 DG C4' . . . . . . . . . rr_1b5k 1
. 2 . 984 . 1 1 10 DG C5 C -0.010 11.486 17.050 . . . 1.0 . . . . . . . . . . . . A . 10 DG C5 . . . . . . . . . rr_1b5k 1
. 2 . 985 . 1 1 10 DG C5' C 1.164 9.199 23.133 . . . 1.0 . . . . . . . . . . . . A . 10 DG C5' . . . . . . . . . rr_1b5k 1
. 2 . 986 . 1 1 10 DG C6 C 0.019 11.618 15.638 . . . 1.0 . . . . . . . . . . . . A . 10 DG C6 . . . . . . . . . rr_1b5k 1
. 2 . 987 . 1 1 10 DG C8 C -0.514 11.311 19.077 . . . 1.0 . . . . . . . . . . . . A . 10 DG C8 . . . . . . . . . rr_1b5k 1
. 2 . 988 . 1 1 10 DG H1 H 1.376 11.709 14.143 . . . 1.0 . . . . . . . . . . . . A . 10 DG H1 . . . . . . . . . rr_1b5k 1
. 2 . 989 . 1 1 10 DG H1' H 2.829 11.236 19.823 . . . 1.0 . . . . . . . . . . . . A . 10 DG H1' . . . . . . . . . rr_1b5k 1
. 2 . 990 . 1 1 10 DG H2' H 0.512 11.933 21.630 . . . 1.0 . . . . . . . . . . . . A . 10 DG H2' . . . . . . . . . rr_1b5k 1
. 2 . 991 . 1 1 10 DG H2'' H 1.849 13.052 21.150 . . . 1.0 . . . . . . . . . . . . A . 10 DG H2'' . . . . . . . . . rr_1b5k 1
. 2 . 992 . 1 1 10 DG H21 H 3.741 11.552 14.243 . . . 1.0 . . . . . . . . . . . . A . 10 DG H21 . . . . . . . . . rr_1b5k 1
. 2 . 993 . 1 1 10 DG H22 H 4.533 11.563 15.828 . . . 1.0 . . . . . . . . . . . . A . 10 DG H22 . . . . . . . . . rr_1b5k 1
. 2 . 994 . 1 1 10 DG H3' H 2.169 11.599 23.420 . . . 1.0 . . . . . . . . . . . . A . 10 DG H3' . . . . . . . . . rr_1b5k 1
. 2 . 995 . 1 1 10 DG H4' H 3.058 9.321 22.165 . . . 1.0 . . . . . . . . . . . . A . 10 DG H4' . . . . . . . . . rr_1b5k 1
. 2 . 996 . 1 1 10 DG H5' H 1.012 8.162 22.834 . . . 1.0 . . . . . . . . . . . . A . 10 DG H5' . . . . . . . . . rr_1b5k 1
. 2 . 997 . 1 1 10 DG H5'' H 1.643 9.215 24.111 . . . 1.0 . . . . . . . . . . . . A . 10 DG H5'' . . . . . . . . . rr_1b5k 1
. 2 . 998 . 1 1 10 DG H8 H -1.085 11.250 20.003 . . . 1.0 . . . . . . . . . . . . A . 10 DG H8 . . . . . . . . . rr_1b5k 1
. 2 . 999 . 1 1 10 DG N1 N 1.311 11.620 15.148 . . . 1.0 . . . . . . . . . . . . A . 10 DG N1 . . . . . . . . . rr_1b5k 1
. 2 . 1000 . 1 1 10 DG N2 N 3.703 11.544 15.252 . . . 1.0 . . . . . . . . . . . . A . 10 DG N2 . . . . . . . . . rr_1b5k 1
. 2 . 1001 . 1 1 10 DG N3 N 2.428 11.383 17.240 . . . 1.0 . . . . . . . . . . . . A . 10 DG N3 . . . . . . . . . rr_1b5k 1
. 2 . 1002 . 1 1 10 DG N7 N -1.097 11.442 17.922 . . . 1.0 . . . . . . . . . . . . A . 10 DG N7 . . . . . . . . . rr_1b5k 1
. 2 . 1003 . 1 1 10 DG N9 N 0.849 11.263 19.064 . . . 1.0 . . . . . . . . . . . . A . 10 DG N9 . . . . . . . . . rr_1b5k 1
. 2 . 1004 . 1 1 10 DG O3' O 3.849 11.539 22.250 . . . 1.0 . . . . . . . . . . . . A . 10 DG O3' . . . . . . . . . rr_1b5k 1
. 2 . 1005 . 1 1 10 DG O4' O 1.649 9.793 20.756 . . . 1.0 . . . . . . . . . . . . A . 10 DG O4' . . . . . . . . . rr_1b5k 1
. 2 . 1006 . 1 1 10 DG O5' O -0.114 9.847 23.230 . . . 1.0 . . . . . . . . . . . . A . 10 DG O5' . . . . . . . . . rr_1b5k 1
. 2 . 1007 . 1 1 10 DG O6 O -0.921 11.717 14.855 . . . 1.0 . . . . . . . . . . . . A . 10 DG O6 . . . . . . . . . rr_1b5k 1
. 2 . 1008 . 1 1 10 DG OP1 O -0.482 9.036 25.583 . . . 1.0 . . . . . . . . . . . . A . 10 DG OP1 . . . . . . . . . rr_1b5k 1
. 2 . 1009 . 1 1 10 DG OP2 O -2.267 10.411 24.374 . . . 1.0 . . . . . . . . . . . . A . 10 DG OP2 . . . . . . . . . rr_1b5k 1
. 2 . 1010 . 1 1 10 DG P P -1.198 9.387 24.334 . . . 1.0 . . . . . . . . . . . . A . 10 DG P . . . . . . . . . rr_1b5k 1
. 2 . 1011 . 1 1 11 DC C1' C 4.945 13.958 17.260 . . . 1.0 . . . . . . . . . . . . A . 11 DC C1' . . . . . . . . . rr_1b5k 1
. 2 . 1012 . 1 1 11 DC C2 C 2.988 14.500 15.871 . . . 1.0 . . . . . . . . . . . . A . 11 DC C2 . . . . . . . . . rr_1b5k 1
. 2 . 1013 . 1 1 11 DC C2' C 5.678 14.786 18.314 . . . 1.0 . . . . . . . . . . . . A . 11 DC C2' . . . . . . . . . rr_1b5k 1
. 2 . 1014 . 1 1 11 DC C3' C 6.920 13.939 18.465 . . . 1.0 . . . . . . . . . . . . A . 11 DC C3' . . . . . . . . . rr_1b5k 1
. 2 . 1015 . 1 1 11 DC C4 C 0.865 14.831 16.801 . . . 1.0 . . . . . . . . . . . . A . 11 DC C4 . . . . . . . . . rr_1b5k 1
. 2 . 1016 . 1 1 11 DC C4' C 6.290 12.543 18.540 . . . 1.0 . . . . . . . . . . . . A . 11 DC C4' . . . . . . . . . rr_1b5k 1
. 2 . 1017 . 1 1 11 DC C5 C 1.361 14.596 18.121 . . . 1.0 . . . . . . . . . . . . A . 11 DC C5 . . . . . . . . . rr_1b5k 1
. 2 . 1018 . 1 1 11 DC C5' C 5.887 12.128 19.960 . . . 1.0 . . . . . . . . . . . . A . 11 DC C5' . . . . . . . . . rr_1b5k 1
. 2 . 1019 . 1 1 11 DC C6 C 2.677 14.319 18.249 . . . 1.0 . . . . . . . . . . . . A . 11 DC C6 . . . . . . . . . rr_1b5k 1
. 2 . 1020 . 1 1 11 DC H1' H 5.438 14.126 16.302 . . . 1.0 . . . . . . . . . . . . A . 11 DC H1' . . . . . . . . . rr_1b5k 1
. 2 . 1021 . 1 1 11 DC H2' H 5.127 14.732 19.252 . . . 1.0 . . . . . . . . . . . . A . 11 DC H2' . . . . . . . . . rr_1b5k 1
. 2 . 1022 . 1 1 11 DC H2'' H 5.853 15.817 18.003 . . . 1.0 . . . . . . . . . . . . A . 11 DC H2'' . . . . . . . . . rr_1b5k 1
. 2 . 1023 . 1 1 11 DC H3' H 7.473 14.169 19.377 . . . 1.0 . . . . . . . . . . . . A . 11 DC H3' . . . . . . . . . rr_1b5k 1
. 2 . 1024 . 1 1 11 DC H4' H 7.002 11.811 18.159 . . . 1.0 . . . . . . . . . . . . A . 11 DC H4' . . . . . . . . . rr_1b5k 1
. 2 . 1025 . 1 1 11 DC H41 H -0.847 15.285 15.664 . . . 1.0 . . . . . . . . . . . . A . 11 DC H41 . . . . . . . . . rr_1b5k 1
. 2 . 1026 . 1 1 11 DC H42 H -1.144 15.170 17.397 . . . 1.0 . . . . . . . . . . . . A . 11 DC H42 . . . . . . . . . rr_1b5k 1
. 2 . 1027 . 1 1 11 DC H5 H 0.686 14.650 18.974 . . . 1.0 . . . . . . . . . . . . A . 11 DC H5 . . . . . . . . . rr_1b5k 1
. 2 . 1028 . 1 1 11 DC H5' H 5.451 11.130 19.917 . . . 1.0 . . . . . . . . . . . . A . 11 DC H5' . . . . . . . . . rr_1b5k 1
. 2 . 1029 . 1 1 11 DC H5'' H 6.781 12.095 20.581 . . . 1.0 . . . . . . . . . . . . A . 11 DC H5'' . . . . . . . . . rr_1b5k 1
. 2 . 1030 . 1 1 11 DC H6 H 3.082 14.129 19.244 . . . 1.0 . . . . . . . . . . . . A . 11 DC H6 . . . . . . . . . rr_1b5k 1
. 2 . 1031 . 1 1 11 DC HO3' H 7.335 13.728 16.574 . . . 1.0 . . . . . . . . . . . . A . 11 DC HO3' . . . . . . . . . rr_1b5k 1
. 2 . 1032 . 1 1 11 DC N1 N 3.495 14.268 17.146 . . . 1.0 . . . . . . . . . . . . A . 11 DC N1 . . . . . . . . . rr_1b5k 1
. 2 . 1033 . 1 1 11 DC N3 N 1.670 14.779 15.735 . . . 1.0 . . . . . . . . . . . . A . 11 DC N3 . . . . . . . . . rr_1b5k 1
. 2 . 1034 . 1 1 11 DC N4 N -0.518 15.126 16.606 . . . 1.0 . . . . . . . . . . . . A . 11 DC N4 . . . . . . . . . rr_1b5k 1
. 2 . 1035 . 1 1 11 DC O2 O 3.705 14.459 14.876 . . . 1.0 . . . . . . . . . . . . A . 11 DC O2 . . . . . . . . . rr_1b5k 1
. 2 . 1036 . 1 1 11 DC O3' O 7.810 14.044 17.347 . . . 1.0 . . . . . . . . . . . . A . 11 DC O3' . . . . . . . . . rr_1b5k 1
. 2 . 1037 . 1 1 11 DC O4' O 5.157 12.589 17.650 . . . 1.0 . . . . . . . . . . . . A . 11 DC O4' . . . . . . . . . rr_1b5k 1
. 2 . 1038 . 1 1 11 DC O5' O 4.932 13.028 20.547 . . . 1.0 . . . . . . . . . . . . A . 11 DC O5' . . . . . . . . . rr_1b5k 1
. 2 . 1039 . 1 1 11 DC OP1 O 5.850 12.922 22.877 . . . 1.0 . . . . . . . . . . . . A . 11 DC OP1 . . . . . . . . . rr_1b5k 1
. 2 . 1040 . 1 1 11 DC OP2 O 3.602 14.050 22.399 . . . 1.0 . . . . . . . . . . . . A . 11 DC OP2 . . . . . . . . . rr_1b5k 1
. 2 . 1041 . 1 1 11 DC P P 4.579 12.974 22.118 . . . 1.0 . . . . . . . . . . . . A . 11 DC P . . . . . . . . . rr_1b5k 1
. 2 . 1042 . 2 2 1 DG C1' C 0.309 15.819 7.889 . . . 1.0 . . . . . . . . . . . . B . 1 DG C1' . . . . . . . . . rr_1b5k 1
. 2 . 1043 . 2 2 1 DG C2 C 2.013 15.083 11.813 . . . 1.0 . . . . . . . . . . . . B . 1 DG C2 . . . . . . . . . rr_1b5k 1
. 2 . 1044 . 2 2 1 DG C2' C -0.390 14.857 6.943 . . . 1.0 . . . . . . . . . . . . B . 1 DG C2' . . . . . . . . . rr_1b5k 1
. 2 . 1045 . 2 2 1 DG C3' C 0.138 15.386 5.619 . . . 1.0 . . . . . . . . . . . . B . 1 DG C3' . . . . . . . . . rr_1b5k 1
. 2 . 1046 . 2 2 1 DG C4 C 0.344 15.558 10.417 . . . 1.0 . . . . . . . . . . . . B . 1 DG C4 . . . . . . . . . rr_1b5k 1
. 2 . 1047 . 2 2 1 DG C4' C -0.021 16.895 5.842 . . . 1.0 . . . . . . . . . . . . B . 1 DG C4' . . . . . . . . . rr_1b5k 1
. 2 . 1048 . 2 2 1 DG C5 C -0.601 15.651 11.411 . . . 1.0 . . . . . . . . . . . . B . 1 DG C5 . . . . . . . . . rr_1b5k 1
. 2 . 1049 . 2 2 1 DG C5' C -1.332 17.481 5.300 . . . 1.0 . . . . . . . . . . . . B . 1 DG C5' . . . . . . . . . rr_1b5k 1
. 2 . 1050 . 2 2 1 DG C6 C -0.214 15.441 12.761 . . . 1.0 . . . . . . . . . . . . B . 1 DG C6 . . . . . . . . . rr_1b5k 1
. 2 . 1051 . 2 2 1 DG C8 C -1.597 16.031 9.604 . . . 1.0 . . . . . . . . . . . . B . 1 DG C8 . . . . . . . . . rr_1b5k 1
. 2 . 1052 . 2 2 1 DG H1 H 1.448 15.000 13.820 . . . 1.0 . . . . . . . . . . . . B . 1 DG H1 . . . . . . . . . rr_1b5k 1
. 2 . 1053 . 2 2 1 DG H1' H 1.371 15.575 7.941 . . . 1.0 . . . . . . . . . . . . B . 1 DG H1' . . . . . . . . . rr_1b5k 1
. 2 . 1054 . 2 2 1 DG H2' H -1.461 15.045 7.027 . . . 1.0 . . . . . . . . . . . . B . 1 DG H2' . . . . . . . . . rr_1b5k 1
. 2 . 1055 . 2 2 1 DG H2'' H -0.155 13.814 7.148 . . . 1.0 . . . . . . . . . . . . B . 1 DG H2'' . . . . . . . . . rr_1b5k 1
. 2 . 1056 . 2 2 1 DG H21 H 3.685 14.715 13.054 . . . 1.0 . . . . . . . . . . . . B . 1 DG H21 . . . . . . . . . rr_1b5k 1
. 2 . 1057 . 2 2 1 DG H22 H 3.971 14.585 11.307 . . . 1.0 . . . . . . . . . . . . B . 1 DG H22 . . . . . . . . . rr_1b5k 1
. 2 . 1058 . 2 2 1 DG H3' H -0.432 15.059 4.749 . . . 1.0 . . . . . . . . . . . . B . 1 DG H3' . . . . . . . . . rr_1b5k 1
. 2 . 1059 . 2 2 1 DG H4' H 0.809 17.392 5.339 . . . 1.0 . . . . . . . . . . . . B . 1 DG H4' . . . . . . . . . rr_1b5k 1
. 2 . 1060 . 2 2 1 DG H5' H -1.341 18.553 5.499 . . . 1.0 . . . . . . . . . . . . B . 1 DG H5' . . . . . . . . . rr_1b5k 1
. 2 . 1061 . 2 2 1 DG H5'' H -1.373 17.324 4.222 . . . 1.0 . . . . . . . . . . . . B . 1 DG H5'' . . . . . . . . . rr_1b5k 1
. 2 . 1062 . 2 2 1 DG H8 H -2.369 16.260 8.871 . . . 1.0 . . . . . . . . . . . . B . 1 DG H8 . . . . . . . . . rr_1b5k 1
. 2 . 1063 . 2 2 1 DG HO5' H -2.502 15.968 5.648 . . . 1.0 . . . . . . . . . . . . B . 1 DG HO5' . . . . . . . . . rr_1b5k 1
. 2 . 1064 . 2 2 1 DG N1 N 1.134 15.157 12.872 . . . 1.0 . . . . . . . . . . . . B . 1 DG N1 . . . . . . . . . rr_1b5k 1
. 2 . 1065 . 2 2 1 DG N2 N 3.368 14.763 12.097 . . . 1.0 . . . . . . . . . . . . B . 1 DG N2 . . . . . . . . . rr_1b5k 1
. 2 . 1066 . 2 2 1 DG N3 N 1.658 15.280 10.546 . . . 1.0 . . . . . . . . . . . . B . 1 DG N3 . . . . . . . . . rr_1b5k 1
. 2 . 1067 . 2 2 1 DG N7 N -1.853 15.957 10.877 . . . 1.0 . . . . . . . . . . . . B . 1 DG N7 . . . . . . . . . rr_1b5k 1
. 2 . 1068 . 2 2 1 DG N9 N -0.303 15.806 9.235 . . . 1.0 . . . . . . . . . . . . B . 1 DG N9 . . . . . . . . . rr_1b5k 1
. 2 . 1069 . 2 2 1 DG O3' O 1.518 15.072 5.366 . . . 1.0 . . . . . . . . . . . . B . 1 DG O3' . . . . . . . . . rr_1b5k 1
. 2 . 1070 . 2 2 1 DG O4' O 0.126 17.101 7.264 . . . 1.0 . . . . . . . . . . . . B . 1 DG O4' . . . . . . . . . rr_1b5k 1
. 2 . 1071 . 2 2 1 DG O5' O -2.496 16.896 5.895 . . . 1.0 . . . . . . . . . . . . B . 1 DG O5' . . . . . . . . . rr_1b5k 1
. 2 . 1072 . 2 2 1 DG O6 O -0.902 15.479 13.775 . . . 1.0 . . . . . . . . . . . . B . 1 DG O6 . . . . . . . . . rr_1b5k 1
. 2 . 1073 . 2 2 2 DC C1' C 3.863 12.382 9.845 . . . 1.0 . . . . . . . . . . . . B . 2 DC C1' . . . . . . . . . rr_1b5k 1
. 2 . 1074 . 2 2 2 DC C2 C 2.330 11.962 11.733 . . . 1.0 . . . . . . . . . . . . B . 2 DC C2 . . . . . . . . . rr_1b5k 1
. 2 . 1075 . 2 2 2 DC C2' C 4.146 11.482 8.652 . . . 1.0 . . . . . . . . . . . . B . 2 DC C2' . . . . . . . . . rr_1b5k 1
. 2 . 1076 . 2 2 2 DC C3' C 5.345 12.203 8.073 . . . 1.0 . . . . . . . . . . . . B . 2 DC C3' . . . . . . . . . rr_1b5k 1
. 2 . 1077 . 2 2 2 DC C4 C 0.005 11.929 11.440 . . . 1.0 . . . . . . . . . . . . B . 2 DC C4 . . . . . . . . . rr_1b5k 1
. 2 . 1078 . 2 2 2 DC C4' C 4.865 13.655 8.170 . . . 1.0 . . . . . . . . . . . . B . 2 DC C4' . . . . . . . . . rr_1b5k 1
. 2 . 1079 . 2 2 2 DC C5 C 0.137 12.194 10.043 . . . 1.0 . . . . . . . . . . . . B . 2 DC C5 . . . . . . . . . rr_1b5k 1
. 2 . 1080 . 2 2 2 DC C5' C 4.123 14.159 6.924 . . . 1.0 . . . . . . . . . . . . B . 2 DC C5' . . . . . . . . . rr_1b5k 1
. 2 . 1081 . 2 2 2 DC C6 C 1.386 12.334 9.556 . . . 1.0 . . . . . . . . . . . . B . 2 DC C6 . . . . . . . . . rr_1b5k 1
. 2 . 1082 . 2 2 2 DC H1' H 4.608 12.146 10.605 . . . 1.0 . . . . . . . . . . . . B . 2 DC H1' . . . . . . . . . rr_1b5k 1
. 2 . 1083 . 2 2 2 DC H2' H 3.321 11.566 7.943 . . . 1.0 . . . . . . . . . . . . B . 2 DC H2' . . . . . . . . . rr_1b5k 1
. 2 . 1084 . 2 2 2 DC H2'' H 4.321 10.452 8.961 . . . 1.0 . . . . . . . . . . . . B . 2 DC H2'' . . . . . . . . . rr_1b5k 1
. 2 . 1085 . 2 2 2 DC H3' H 5.537 11.938 7.033 . . . 1.0 . . . . . . . . . . . . B . 2 DC H3' . . . . . . . . . rr_1b5k 1
. 2 . 1086 . 2 2 2 DC H4' H 5.742 14.288 8.314 . . . 1.0 . . . . . . . . . . . . B . 2 DC H4' . . . . . . . . . rr_1b5k 1
. 2 . 1087 . 2 2 2 DC H41 H -1.364 11.620 13.010 . . . 1.0 . . . . . . . . . . . . B . 2 DC H41 . . . . . . . . . rr_1b5k 1
. 2 . 1088 . 2 2 2 DC H42 H -2.117 11.831 11.433 . . . 1.0 . . . . . . . . . . . . B . 2 DC H42 . . . . . . . . . rr_1b5k 1
. 2 . 1089 . 2 2 2 DC H5 H -0.737 12.276 9.397 . . . 1.0 . . . . . . . . . . . . B . 2 DC H5 . . . . . . . . . rr_1b5k 1
. 2 . 1090 . 2 2 2 DC H5' H 3.851 15.203 7.087 . . . 1.0 . . . . . . . . . . . . B . 2 DC H5' . . . . . . . . . rr_1b5k 1
. 2 . 1091 . 2 2 2 DC H5'' H 4.792 14.099 6.067 . . . 1.0 . . . . . . . . . . . . B . 2 DC H5'' . . . . . . . . . rr_1b5k 1
. 2 . 1092 . 2 2 2 DC H6 H 1.498 12.541 8.492 . . . 1.0 . . . . . . . . . . . . B . 2 DC H6 . . . . . . . . . rr_1b5k 1
. 2 . 1093 . 2 2 2 DC N1 N 2.482 12.222 10.377 . . . 1.0 . . . . . . . . . . . . B . 2 DC N1 . . . . . . . . . rr_1b5k 1
. 2 . 1094 . 2 2 2 DC N3 N 1.077 11.823 12.230 . . . 1.0 . . . . . . . . . . . . B . 2 DC N3 . . . . . . . . . rr_1b5k 1
. 2 . 1095 . 2 2 2 DC N4 N -1.294 11.777 12.016 . . . 1.0 . . . . . . . . . . . . B . 2 DC N4 . . . . . . . . . rr_1b5k 1
. 2 . 1096 . 2 2 2 DC O2 O 3.295 11.859 12.485 . . . 1.0 . . . . . . . . . . . . B . 2 DC O2 . . . . . . . . . rr_1b5k 1
. 2 . 1097 . 2 2 2 DC O3' O 6.576 12.023 8.794 . . . 1.0 . . . . . . . . . . . . B . 2 DC O3' . . . . . . . . . rr_1b5k 1
. 2 . 1098 . 2 2 2 DC O4' O 4.065 13.725 9.366 . . . 1.0 . . . . . . . . . . . . B . 2 DC O4' . . . . . . . . . rr_1b5k 1
. 2 . 1099 . 2 2 2 DC O5' O 2.924 13.412 6.652 . . . 1.0 . . . . . . . . . . . . B . 2 DC O5' . . . . . . . . . rr_1b5k 1
. 2 . 1100 . 2 2 2 DC OP1 O 3.081 13.537 4.145 . . . 1.0 . . . . . . . . . . . . B . 2 DC OP1 . . . . . . . . . rr_1b5k 1
. 2 . 1101 . 2 2 2 DC OP2 O 0.985 12.611 5.286 . . . 1.0 . . . . . . . . . . . . B . 2 DC OP2 . . . . . . . . . rr_1b5k 1
. 2 . 1102 . 2 2 2 DC P P 2.114 13.570 5.266 . . . 1.0 . . . . . . . . . . . . B . 2 DC P . . . . . . . . . rr_1b5k 1
. 2 . 1103 . 2 2 3 DA C1' C 5.600 8.841 13.717 . . . 1.0 . . . . . . . . . . . . B . 3 DA C1' . . . . . . . . . rr_1b5k 1
. 2 . 1104 . 2 2 3 DA C2 C 2.009 8.446 16.176 . . . 1.0 . . . . . . . . . . . . B . 3 DA C2 . . . . . . . . . rr_1b5k 1
. 2 . 1105 . 2 2 3 DA C2' C 6.429 7.977 12.777 . . . 1.0 . . . . . . . . . . . . B . 3 DA C2' . . . . . . . . . rr_1b5k 1
. 2 . 1106 . 2 2 3 DA C3' C 7.798 8.610 12.957 . . . 1.0 . . . . . . . . . . . . B . 3 DA C3' . . . . . . . . . rr_1b5k 1
. 2 . 1107 . 2 2 3 DA C4 C 3.115 8.677 14.284 . . . 1.0 . . . . . . . . . . . . B . 3 DA C4 . . . . . . . . . rr_1b5k 1
. 2 . 1108 . 2 2 3 DA C4' C 7.426 10.098 12.977 . . . 1.0 . . . . . . . . . . . . B . 3 DA C4' . . . . . . . . . rr_1b5k 1
. 2 . 1109 . 2 2 3 DA C5 C 1.964 8.720 13.541 . . . 1.0 . . . . . . . . . . . . B . 3 DA C5 . . . . . . . . . rr_1b5k 1
. 2 . 1110 . 2 2 3 DA C5' C 7.658 10.817 11.642 . . . 1.0 . . . . . . . . . . . . B . 3 DA C5' . . . . . . . . . rr_1b5k 1
. 2 . 1111 . 2 2 3 DA C6 C 0.759 8.612 14.242 . . . 1.0 . . . . . . . . . . . . B . 3 DA C6 . . . . . . . . . rr_1b5k 1
. 2 . 1112 . 2 2 3 DA C8 C 3.546 8.909 12.182 . . . 1.0 . . . . . . . . . . . . B . 3 DA C8 . . . . . . . . . rr_1b5k 1
. 2 . 1113 . 2 2 3 DA H1' H 5.793 8.565 14.753 . . . 1.0 . . . . . . . . . . . . B . 3 DA H1' . . . . . . . . . rr_1b5k 1
. 2 . 1114 . 2 2 3 DA H2 H 1.992 8.333 17.260 . . . 1.0 . . . . . . . . . . . . B . 3 DA H2 . . . . . . . . . rr_1b5k 1
. 2 . 1115 . 2 2 3 DA H2' H 6.081 8.179 11.764 . . . 1.0 . . . . . . . . . . . . B . 3 DA H2' . . . . . . . . . rr_1b5k 1
. 2 . 1116 . 2 2 3 DA H2'' H 6.373 6.915 13.018 . . . 1.0 . . . . . . . . . . . . B . 3 DA H2'' . . . . . . . . . rr_1b5k 1
. 2 . 1117 . 2 2 3 DA H3' H 8.471 8.400 12.126 . . . 1.0 . . . . . . . . . . . . B . 3 DA H3' . . . . . . . . . rr_1b5k 1
. 2 . 1118 . 2 2 3 DA H4' H 8.062 10.573 13.723 . . . 1.0 . . . . . . . . . . . . B . 3 DA H4' . . . . . . . . . rr_1b5k 1
. 2 . 1119 . 2 2 3 DA H5' H 7.358 11.859 11.753 . . . 1.0 . . . . . . . . . . . . B . 3 DA H5' . . . . . . . . . rr_1b5k 1
. 2 . 1120 . 2 2 3 DA H5'' H 8.723 10.781 11.415 . . . 1.0 . . . . . . . . . . . . B . 3 DA H5'' . . . . . . . . . rr_1b5k 1
. 2 . 1121 . 2 2 3 DA H61 H -1.356 8.624 14.153 . . . 1.0 . . . . . . . . . . . . B . 3 DA H61 . . . . . . . . . rr_1b5k 1
. 2 . 1122 . 2 2 3 DA H62 H -0.559 8.711 12.588 . . . 1.0 . . . . . . . . . . . . B . 3 DA H62 . . . . . . . . . rr_1b5k 1
. 2 . 1123 . 2 2 3 DA H8 H 4.117 9.018 11.261 . . . 1.0 . . . . . . . . . . . . B . 3 DA H8 . . . . . . . . . rr_1b5k 1
. 2 . 1124 . 2 2 3 DA N1 N 0.825 8.474 15.574 . . . 1.0 . . . . . . . . . . . . B . 3 DA N1 . . . . . . . . . rr_1b5k 1
. 2 . 1125 . 2 2 3 DA N3 N 3.211 8.539 15.626 . . . 1.0 . . . . . . . . . . . . B . 3 DA N3 . . . . . . . . . rr_1b5k 1
. 2 . 1126 . 2 2 3 DA N6 N -0.514 8.653 13.596 . . . 1.0 . . . . . . . . . . . . B . 3 DA N6 . . . . . . . . . rr_1b5k 1
. 2 . 1127 . 2 2 3 DA N7 N 2.248 8.869 12.185 . . . 1.0 . . . . . . . . . . . . B . 3 DA N7 . . . . . . . . . rr_1b5k 1
. 2 . 1128 . 2 2 3 DA N9 N 4.157 8.802 13.397 . . . 1.0 . . . . . . . . . . . . B . 3 DA N9 . . . . . . . . . rr_1b5k 1
. 2 . 1129 . 2 2 3 DA O3' O 8.490 8.249 14.164 . . . 1.0 . . . . . . . . . . . . B . 3 DA O3' . . . . . . . . . rr_1b5k 1
. 2 . 1130 . 2 2 3 DA O4' O 6.067 10.175 13.454 . . . 1.0 . . . . . . . . . . . . B . 3 DA O4' . . . . . . . . . rr_1b5k 1
. 2 . 1131 . 2 2 3 DA O5' O 6.926 10.234 10.551 . . . 1.0 . . . . . . . . . . . . B . 3 DA O5' . . . . . . . . . rr_1b5k 1
. 2 . 1132 . 2 2 3 DA OP1 O 8.747 10.778 8.900 . . . 1.0 . . . . . . . . . . . . B . 3 DA OP1 . . . . . . . . . rr_1b5k 1
. 2 . 1133 . 2 2 3 DA OP2 O 6.613 9.582 8.153 . . . 1.0 . . . . . . . . . . . . B . 3 DA OP2 . . . . . . . . . rr_1b5k 1
. 2 . 1134 . 2 2 3 DA P P 7.284 10.583 9.014 . . . 1.0 . . . . . . . . . . . . B . 3 DA P . . . . . . . . . rr_1b5k 1
. 2 . 1135 . 2 2 4 DT C1' C 4.834 5.348 17.304 . . . 1.0 . . . . . . . . . . . . B . 4 DT C1' . . . . . . . . . rr_1b5k 1
. 2 . 1136 . 2 2 4 DT C2 C 2.478 5.384 16.606 . . . 1.0 . . . . . . . . . . . . B . 4 DT C2 . . . . . . . . . rr_1b5k 1
. 2 . 1137 . 2 2 4 DT C2' C 5.914 4.288 17.093 . . . 1.0 . . . . . . . . . . . . B . 4 DT C2' . . . . . . . . . rr_1b5k 1
. 2 . 1138 . 2 2 4 DT C3' C 6.949 4.778 18.076 . . . 1.0 . . . . . . . . . . . . B . 4 DT C3' . . . . . . . . . rr_1b5k 1
. 2 . 1139 . 2 2 4 DT C4 C 1.839 5.430 14.233 . . . 1.0 . . . . . . . . . . . . B . 4 DT C4 . . . . . . . . . rr_1b5k 1
. 2 . 1140 . 2 2 4 DT C4' C 6.883 6.296 17.846 . . . 1.0 . . . . . . . . . . . . B . 4 DT C4' . . . . . . . . . rr_1b5k 1
. 2 . 1141 . 2 2 4 DT C5 C 3.247 5.416 13.917 . . . 1.0 . . . . . . . . . . . . B . 4 DT C5 . . . . . . . . . rr_1b5k 1
. 2 . 1142 . 2 2 4 DT C5' C 7.988 6.846 16.946 . . . 1.0 . . . . . . . . . . . . B . 4 DT C5' . . . . . . . . . rr_1b5k 1
. 2 . 1143 . 2 2 4 DT C6 C 4.170 5.389 14.897 . . . 1.0 . . . . . . . . . . . . B . 4 DT C6 . . . . . . . . . rr_1b5k 1
. 2 . 1144 . 2 2 4 DT C7 C 3.698 5.423 12.451 . . . 1.0 . . . . . . . . . . . . B . 4 DT C7 . . . . . . . . . rr_1b5k 1
. 2 . 1145 . 2 2 4 DT H1' H 4.368 5.217 18.281 . . . 1.0 . . . . . . . . . . . . B . 4 DT H1' . . . . . . . . . rr_1b5k 1
. 2 . 1146 . 2 2 4 DT H2' H 6.348 4.414 16.101 . . . 1.0 . . . . . . . . . . . . B . 4 DT H2' . . . . . . . . . rr_1b5k 1
. 2 . 1147 . 2 2 4 DT H2'' H 5.569 3.267 17.256 . . . 1.0 . . . . . . . . . . . . B . 4 DT H2'' . . . . . . . . . rr_1b5k 1
. 2 . 1148 . 2 2 4 DT H3 H 0.589 5.419 15.855 . . . 1.0 . . . . . . . . . . . . B . 4 DT H3 . . . . . . . . . rr_1b5k 1
. 2 . 1149 . 2 2 4 DT H3' H 7.937 4.398 17.816 . . . 1.0 . . . . . . . . . . . . B . 4 DT H3' . . . . . . . . . rr_1b5k 1
. 2 . 1150 . 2 2 4 DT H4' H 6.965 6.776 18.822 . . . 1.0 . . . . . . . . . . . . B . 4 DT H4' . . . . . . . . . rr_1b5k 1
. 2 . 1151 . 2 2 4 DT H5' H 7.857 7.926 16.867 . . . 1.0 . . . . . . . . . . . . B . 4 DT H5' . . . . . . . . . rr_1b5k 1
. 2 . 1152 . 2 2 4 DT H5'' H 8.954 6.641 17.405 . . . 1.0 . . . . . . . . . . . . B . 4 DT H5'' . . . . . . . . . rr_1b5k 1
. 2 . 1153 . 2 2 4 DT H6 H 5.222 5.386 14.614 . . . 1.0 . . . . . . . . . . . . B . 4 DT H6 . . . . . . . . . rr_1b5k 1
. 2 . 1154 . 2 2 4 DT H71 H 4.271 4.519 12.243 . . . 1.0 . . . . . . . . . . . . B . 4 DT H71 . . . . . . . . . rr_1b5k 1
. 2 . 1155 . 2 2 4 DT H72 H 2.830 5.454 11.792 . . . 1.0 . . . . . . . . . . . . B . 4 DT H72 . . . . . . . . . rr_1b5k 1
. 2 . 1156 . 2 2 4 DT H73 H 4.323 6.293 12.257 . . . 1.0 . . . . . . . . . . . . B . 4 DT H73 . . . . . . . . . rr_1b5k 1
. 2 . 1157 . 2 2 4 DT N1 N 3.811 5.374 16.226 . . . 1.0 . . . . . . . . . . . . B . 4 DT N1 . . . . . . . . . rr_1b5k 1
. 2 . 1158 . 2 2 4 DT N3 N 1.561 5.412 15.581 . . . 1.0 . . . . . . . . . . . . B . 4 DT N3 . . . . . . . . . rr_1b5k 1
. 2 . 1159 . 2 2 4 DT O2 O 2.099 5.372 17.773 . . . 1.0 . . . . . . . . . . . . B . 4 DT O2 . . . . . . . . . rr_1b5k 1
. 2 . 1160 . 2 2 4 DT O3' O 6.683 4.448 19.449 . . . 1.0 . . . . . . . . . . . . B . 4 DT O3' . . . . . . . . . rr_1b5k 1
. 2 . 1161 . 2 2 4 DT O4 O 0.914 5.463 13.427 . . . 1.0 . . . . . . . . . . . . B . 4 DT O4 . . . . . . . . . rr_1b5k 1
. 2 . 1162 . 2 2 4 DT O4' O 5.569 6.579 17.323 . . . 1.0 . . . . . . . . . . . . B . 4 DT O4' . . . . . . . . . rr_1b5k 1
. 2 . 1163 . 2 2 4 DT O5' O 7.957 6.278 15.627 . . . 1.0 . . . . . . . . . . . . B . 4 DT O5' . . . . . . . . . rr_1b5k 1
. 2 . 1164 . 2 2 4 DT OP1 O 10.346 6.850 15.106 . . . 1.0 . . . . . . . . . . . . B . 4 DT OP1 . . . . . . . . . rr_1b5k 1
. 2 . 1165 . 2 2 4 DT OP2 O 8.798 5.895 13.305 . . . 1.0 . . . . . . . . . . . . B . 4 DT OP2 . . . . . . . . . rr_1b5k 1
. 2 . 1166 . 2 2 4 DT P P 9.001 6.751 14.496 . . . 1.0 . . . . . . . . . . . . B . 4 DT P . . . . . . . . . rr_1b5k 1
. 2 . 1167 . 2 2 5 DG C1' C 1.470 1.804 19.432 . . . 1.0 . . . . . . . . . . . . B . 5 DG C1' . . . . . . . . . rr_1b5k 1
. 2 . 1168 . 2 2 5 DG C2 C -1.897 2.275 16.686 . . . 1.0 . . . . . . . . . . . . B . 5 DG C2 . . . . . . . . . rr_1b5k 1
. 2 . 1169 . 2 2 5 DG C2' C 2.490 0.750 19.839 . . . 1.0 . . . . . . . . . . . . B . 5 DG C2' . . . . . . . . . rr_1b5k 1
. 2 . 1170 . 2 2 5 DG C3' C 2.712 1.133 21.292 . . . 1.0 . . . . . . . . . . . . B . 5 DG C3' . . . . . . . . . rr_1b5k 1
. 2 . 1171 . 2 2 5 DG C4 C 0.271 2.163 17.206 . . . 1.0 . . . . . . . . . . . . B . 5 DG C4 . . . . . . . . . rr_1b5k 1
. 2 . 1172 . 2 2 5 DG C4' C 2.778 2.659 21.174 . . . 1.0 . . . . . . . . . . . . B . 5 DG C4' . . . . . . . . . rr_1b5k 1
. 2 . 1173 . 2 2 5 DG C5 C 0.697 2.387 15.917 . . . 1.0 . . . . . . . . . . . . B . 5 DG C5 . . . . . . . . . rr_1b5k 1
. 2 . 1174 . 2 2 5 DG C5' C 4.204 3.216 21.136 . . . 1.0 . . . . . . . . . . . . B . 5 DG C5' . . . . . . . . . rr_1b5k 1
. 2 . 1175 . 2 2 5 DG C6 C -0.263 2.579 14.891 . . . 1.0 . . . . . . . . . . . . B . 5 DG C6 . . . . . . . . . rr_1b5k 1
. 2 . 1176 . 2 2 5 DG C8 C 2.426 2.164 17.080 . . . 1.0 . . . . . . . . . . . . B . 5 DG C8 . . . . . . . . . rr_1b5k 1
. 2 . 1177 . 2 2 5 DG H1 H -2.266 2.652 14.669 . . . 1.0 . . . . . . . . . . . . B . 5 DG H1 . . . . . . . . . rr_1b5k 1
. 2 . 1178 . 2 2 5 DG H1' H 0.490 1.568 19.849 . . . 1.0 . . . . . . . . . . . . B . 5 DG H1' . . . . . . . . . rr_1b5k 1
. 2 . 1179 . 2 2 5 DG H2' H 3.400 0.944 19.270 . . . 1.0 . . . . . . . . . . . . B . 5 DG H2' . . . . . . . . . rr_1b5k 1
. 2 . 1180 . 2 2 5 DG H2'' H 2.130 -0.268 19.688 . . . 1.0 . . . . . . . . . . . . B . 5 DG H2'' . . . . . . . . . rr_1b5k 1
. 2 . 1181 . 2 2 5 DG H21 H -3.959 2.403 16.263 . . . 1.0 . . . . . . . . . . . . B . 5 DG H21 . . . . . . . . . rr_1b5k 1
. 2 . 1182 . 2 2 5 DG H22 H -3.567 2.005 17.940 . . . 1.0 . . . . . . . . . . . . B . 5 DG H22 . . . . . . . . . rr_1b5k 1
. 2 . 1183 . 2 2 5 DG H3' H 3.644 0.741 21.699 . . . 1.0 . . . . . . . . . . . . B . 5 DG H3' . . . . . . . . . rr_1b5k 1
. 2 . 1184 . 2 2 5 DG H4' H 2.281 3.072 22.053 . . . 1.0 . . . . . . . . . . . . B . 5 DG H4' . . . . . . . . . rr_1b5k 1
. 2 . 1185 . 2 2 5 DG H5' H 4.150 4.300 21.028 . . . 1.0 . . . . . . . . . . . . B . 5 DG H5' . . . . . . . . . rr_1b5k 1
. 2 . 1186 . 2 2 5 DG H5'' H 4.688 2.982 22.083 . . . 1.0 . . . . . . . . . . . . B . 5 DG H5'' . . . . . . . . . rr_1b5k 1
. 2 . 1187 . 2 2 5 DG H8 H 3.466 2.091 17.400 . . . 1.0 . . . . . . . . . . . . B . 5 DG H8 . . . . . . . . . rr_1b5k 1
. 2 . 1188 . 2 2 5 DG N1 N -1.555 2.506 15.371 . . . 1.0 . . . . . . . . . . . . B . 5 DG N1 . . . . . . . . . rr_1b5k 1
. 2 . 1189 . 2 2 5 DG N2 N -3.285 2.222 16.994 . . . 1.0 . . . . . . . . . . . . B . 5 DG N2 . . . . . . . . . rr_1b5k 1
. 2 . 1190 . 2 2 5 DG N3 N -1.003 2.094 17.658 . . . 1.0 . . . . . . . . . . . . B . 5 DG N3 . . . . . . . . . rr_1b5k 1
. 2 . 1191 . 2 2 5 DG N7 N 2.088 2.386 15.845 . . . 1.0 . . . . . . . . . . . . B . 5 DG N7 . . . . . . . . . rr_1b5k 1
. 2 . 1192 . 2 2 5 DG N9 N 1.404 2.019 17.970 . . . 1.0 . . . . . . . . . . . . B . 5 DG N9 . . . . . . . . . rr_1b5k 1
. 2 . 1193 . 2 2 5 DG O3' O 1.651 0.753 22.181 . . . 1.0 . . . . . . . . . . . . B . 5 DG O3' . . . . . . . . . rr_1b5k 1
. 2 . 1194 . 2 2 5 DG O4' O 1.985 3.009 20.022 . . . 1.0 . . . . . . . . . . . . B . 5 DG O4' . . . . . . . . . rr_1b5k 1
. 2 . 1195 . 2 2 5 DG O5' O 4.995 2.676 20.066 . . . 1.0 . . . . . . . . . . . . B . 5 DG O5' . . . . . . . . . rr_1b5k 1
. 2 . 1196 . 2 2 5 DG O6 O -0.078 2.800 13.698 . . . 1.0 . . . . . . . . . . . . B . 5 DG O6 . . . . . . . . . rr_1b5k 1
. 2 . 1197 . 2 2 5 DG OP1 O 7.137 2.903 21.369 . . . 1.0 . . . . . . . . . . . . B . 5 DG OP1 . . . . . . . . . rr_1b5k 1
. 2 . 1198 . 2 2 5 DG OP2 O 7.148 2.016 18.970 . . . 1.0 . . . . . . . . . . . . B . 5 DG OP2 . . . . . . . . . rr_1b5k 1
. 2 . 1199 . 2 2 5 DG P P 6.587 2.929 19.993 . . . 1.0 . . . . . . . . . . . . B . 5 DG P . . . . . . . . . rr_1b5k 1
. 2 . 1200 . 2 2 6 DT C1' C -2.783 -1.235 19.437 . . . 1.0 . . . . . . . . . . . . B . 6 DT C1' . . . . . . . . . rr_1b5k 1
. 2 . 1201 . 2 2 6 DT C2 C -2.664 -0.893 16.992 . . . 1.0 . . . . . . . . . . . . B . 6 DT C2 . . . . . . . . . rr_1b5k 1
. 2 . 1202 . 2 2 6 DT C2' C -2.417 -2.380 20.388 . . . 1.0 . . . . . . . . . . . . B . 6 DT C2' . . . . . . . . . rr_1b5k 1
. 2 . 1203 . 2 2 6 DT C3' C -3.041 -1.883 21.675 . . . 1.0 . . . . . . . . . . . . B . 6 DT C3' . . . . . . . . . rr_1b5k 1
. 2 . 1204 . 2 2 6 DT C4 C -0.525 -0.980 15.776 . . . 1.0 . . . . . . . . . . . . B . 6 DT C4 . . . . . . . . . rr_1b5k 1
. 2 . 1205 . 2 2 6 DT C4' C -2.649 -0.400 21.614 . . . 1.0 . . . . . . . . . . . . B . 6 DT C4' . . . . . . . . . rr_1b5k 1
. 2 . 1206 . 2 2 6 DT C5 C 0.109 -1.250 17.041 . . . 1.0 . . . . . . . . . . . . B . 6 DT C5 . . . . . . . . . rr_1b5k 1
. 2 . 1207 . 2 2 6 DT C5' C -1.344 -0.098 22.351 . . . 1.0 . . . . . . . . . . . . B . 6 DT C5' . . . . . . . . . rr_1b5k 1
. 2 . 1208 . 2 2 6 DT C6 C -0.614 -1.327 18.175 . . . 1.0 . . . . . . . . . . . . B . 6 DT C6 . . . . . . . . . rr_1b5k 1
. 2 . 1209 . 2 2 6 DT C7 C 1.627 -1.457 17.085 . . . 1.0 . . . . . . . . . . . . B . 6 DT C7 . . . . . . . . . rr_1b5k 1
. 2 . 1210 . 2 2 6 DT H1' H -3.845 -1.320 19.207 . . . 1.0 . . . . . . . . . . . . B . 6 DT H1' . . . . . . . . . rr_1b5k 1
. 2 . 1211 . 2 2 6 DT H2' H -1.338 -2.381 20.548 . . . 1.0 . . . . . . . . . . . . B . 6 DT H2' . . . . . . . . . rr_1b5k 1
. 2 . 1212 . 2 2 6 DT H2'' H -2.780 -3.353 20.060 . . . 1.0 . . . . . . . . . . . . B . 6 DT H2'' . . . . . . . . . rr_1b5k 1
. 2 . 1213 . 2 2 6 DT H3 H -2.356 -0.618 14.976 . . . 1.0 . . . . . . . . . . . . B . 6 DT H3 . . . . . . . . . rr_1b5k 1
. 2 . 1214 . 2 2 6 DT H3' H -2.598 -2.346 22.557 . . . 1.0 . . . . . . . . . . . . B . 6 DT H3' . . . . . . . . . rr_1b5k 1
. 2 . 1215 . 2 2 6 DT H4' H -3.447 0.182 22.074 . . . 1.0 . . . . . . . . . . . . B . 6 DT H4' . . . . . . . . . rr_1b5k 1
. 2 . 1216 . 2 2 6 DT H5' H -1.135 0.967 22.262 . . . 1.0 . . . . . . . . . . . . B . 6 DT H5' . . . . . . . . . rr_1b5k 1
. 2 . 1217 . 2 2 6 DT H5'' H -1.467 -0.348 23.406 . . . 1.0 . . . . . . . . . . . . B . 6 DT H5'' . . . . . . . . . rr_1b5k 1
. 2 . 1218 . 2 2 6 DT H6 H -0.071 -1.525 19.100 . . . 1.0 . . . . . . . . . . . . B . 6 DT H6 . . . . . . . . . rr_1b5k 1
. 2 . 1219 . 2 2 6 DT H71 H 1.854 -2.411 17.562 . . . 1.0 . . . . . . . . . . . . B . 6 DT H71 . . . . . . . . . rr_1b5k 1
. 2 . 1220 . 2 2 6 DT H72 H 2.033 -1.460 16.073 . . . 1.0 . . . . . . . . . . . . B . 6 DT H72 . . . . . . . . . rr_1b5k 1
. 2 . 1221 . 2 2 6 DT H73 H 2.097 -0.648 17.645 . . . 1.0 . . . . . . . . . . . . B . 6 DT H73 . . . . . . . . . rr_1b5k 1
. 2 . 1222 . 2 2 6 DT N1 N -1.982 -1.155 18.177 . . . 1.0 . . . . . . . . . . . . B . 6 DT N1 . . . . . . . . . rr_1b5k 1
. 2 . 1223 . 2 2 6 DT N3 N -1.891 -0.818 15.849 . . . 1.0 . . . . . . . . . . . . B . 6 DT N3 . . . . . . . . . rr_1b5k 1
. 2 . 1224 . 2 2 6 DT O2 O -3.880 -0.733 16.927 . . . 1.0 . . . . . . . . . . . . B . 6 DT O2 . . . . . . . . . rr_1b5k 1
. 2 . 1225 . 2 2 6 DT O3' O -4.462 -2.069 21.771 . . . 1.0 . . . . . . . . . . . . B . 6 DT O3' . . . . . . . . . rr_1b5k 1
. 2 . 1226 . 2 2 6 DT O4 O 0.049 -0.891 14.694 . . . 1.0 . . . . . . . . . . . . B . 6 DT O4 . . . . . . . . . rr_1b5k 1
. 2 . 1227 . 2 2 6 DT O4' O -2.574 -0.046 20.217 . . . 1.0 . . . . . . . . . . . . B . 6 DT O4' . . . . . . . . . rr_1b5k 1
. 2 . 1228 . 2 2 6 DT O5' O -0.236 -0.840 21.816 . . . 1.0 . . . . . . . . . . . . B . 6 DT O5' . . . . . . . . . rr_1b5k 1
. 2 . 1229 . 2 2 6 DT OP1 O 1.082 -0.929 23.952 . . . 1.0 . . . . . . . . . . . . B . 6 DT OP1 . . . . . . . . . rr_1b5k 1
. 2 . 1230 . 2 2 6 DT OP2 O 2.114 -1.690 21.734 . . . 1.0 . . . . . . . . . . . . B . 6 DT OP2 . . . . . . . . . rr_1b5k 1
. 2 . 1231 . 2 2 6 DT P P 1.225 -0.773 22.486 . . . 1.0 . . . . . . . . . . . . B . 6 DT P . . . . . . . . . rr_1b5k 1
. 2 . 1232 . 2 2 7 DG C1' C -5.611 -4.317 16.741 . . . 1.0 . . . . . . . . . . . . B . 7 DG C1' . . . . . . . . . rr_1b5k 1
. 2 . 1233 . 2 2 7 DG C2 C -4.025 -3.123 12.912 . . . 1.0 . . . . . . . . . . . . B . 7 DG C2 . . . . . . . . . rr_1b5k 1
. 2 . 1234 . 2 2 7 DG C2' C -5.888 -5.563 17.564 . . . 1.0 . . . . . . . . . . . . B . 7 DG C2' . . . . . . . . . rr_1b5k 1
. 2 . 1235 . 2 2 7 DG C3' C -7.215 -5.160 18.205 . . . 1.0 . . . . . . . . . . . . B . 7 DG C3' . . . . . . . . . rr_1b5k 1
. 2 . 1236 . 2 2 7 DG C4 C -3.830 -3.811 15.017 . . . 1.0 . . . . . . . . . . . . B . 7 DG C4 . . . . . . . . . rr_1b5k 1
. 2 . 1237 . 2 2 7 DG C4' C -6.981 -3.671 18.499 . . . 1.0 . . . . . . . . . . . . B . 7 DG C4' . . . . . . . . . rr_1b5k 1
. 2 . 1238 . 2 2 7 DG C5 C -2.457 -3.835 14.997 . . . 1.0 . . . . . . . . . . . . B . 7 DG C5 . . . . . . . . . rr_1b5k 1
. 2 . 1239 . 2 2 7 DG C5' C -6.773 -3.311 19.968 . . . 1.0 . . . . . . . . . . . . B . 7 DG C5' . . . . . . . . . rr_1b5k 1
. 2 . 1240 . 2 2 7 DG C6 C -1.776 -3.463 13.813 . . . 1.0 . . . . . . . . . . . . B . 7 DG C6 . . . . . . . . . rr_1b5k 1
. 2 . 1241 . 2 2 7 DG C8 C -3.035 -4.448 16.913 . . . 1.0 . . . . . . . . . . . . B . 7 DG C8 . . . . . . . . . rr_1b5k 1
. 2 . 1242 . 2 2 7 DG H1 H -2.189 -2.856 11.942 . . . 1.0 . . . . . . . . . . . . B . 7 DG H1 . . . . . . . . . rr_1b5k 1
. 2 . 1243 . 2 2 7 DG H1' H -6.307 -4.262 15.904 . . . 1.0 . . . . . . . . . . . . B . 7 DG H1' . . . . . . . . . rr_1b5k 1
. 2 . 1244 . 2 2 7 DG H2' H -5.108 -5.615 18.324 . . . 1.0 . . . . . . . . . . . . B . 7 DG H2' . . . . . . . . . rr_1b5k 1
. 2 . 1245 . 2 2 7 DG H2'' H -5.924 -6.453 16.935 . . . 1.0 . . . . . . . . . . . . B . 7 DG H2'' . . . . . . . . . rr_1b5k 1
. 2 . 1246 . 2 2 7 DG H21 H -4.347 -2.389 10.951 . . . 1.0 . . . . . . . . . . . . B . 7 DG H21 . . . . . . . . . rr_1b5k 1
. 2 . 1247 . 2 2 7 DG H22 H -5.799 -2.887 11.825 . . . 1.0 . . . . . . . . . . . . B . 7 DG H22 . . . . . . . . . rr_1b5k 1
. 2 . 1248 . 2 2 7 DG H3' H -7.446 -5.703 19.122 . . . 1.0 . . . . . . . . . . . . B . 7 DG H3' . . . . . . . . . rr_1b5k 1
. 2 . 1249 . 2 2 7 DG H4' H -7.872 -3.148 18.152 . . . 1.0 . . . . . . . . . . . . B . 7 DG H4' . . . . . . . . . rr_1b5k 1
. 2 . 1250 . 2 2 7 DG H5' H -6.652 -2.230 20.031 . . . 1.0 . . . . . . . . . . . . B . 7 DG H5' . . . . . . . . . rr_1b5k 1
. 2 . 1251 . 2 2 7 DG H5'' H -7.664 -3.598 20.527 . . . 1.0 . . . . . . . . . . . . B . 7 DG H5'' . . . . . . . . . rr_1b5k 1
. 2 . 1252 . 2 2 7 DG H8 H -2.995 -4.794 17.946 . . . 1.0 . . . . . . . . . . . . B . 7 DG H8 . . . . . . . . . rr_1b5k 1
. 2 . 1253 . 2 2 7 DG N1 N -2.650 -3.117 12.801 . . . 1.0 . . . . . . . . . . . . B . 7 DG N1 . . . . . . . . . rr_1b5k 1
. 2 . 1254 . 2 2 7 DG N2 N -4.797 -2.760 11.775 . . . 1.0 . . . . . . . . . . . . B . 7 DG N2 . . . . . . . . . rr_1b5k 1
. 2 . 1255 . 2 2 7 DG N3 N -4.670 -3.468 14.021 . . . 1.0 . . . . . . . . . . . . B . 7 DG N3 . . . . . . . . . rr_1b5k 1
. 2 . 1256 . 2 2 7 DG N7 N -1.950 -4.247 16.226 . . . 1.0 . . . . . . . . . . . . B . 7 DG N7 . . . . . . . . . rr_1b5k 1
. 2 . 1257 . 2 2 7 DG N9 N -4.214 -4.210 16.266 . . . 1.0 . . . . . . . . . . . . B . 7 DG N9 . . . . . . . . . rr_1b5k 1
. 2 . 1258 . 2 2 7 DG O3' O -8.360 -5.274 17.344 . . . 1.0 . . . . . . . . . . . . B . 7 DG O3' . . . . . . . . . rr_1b5k 1
. 2 . 1259 . 2 2 7 DG O4' O -5.886 -3.253 17.660 . . . 1.0 . . . . . . . . . . . . B . 7 DG O4' . . . . . . . . . rr_1b5k 1
. 2 . 1260 . 2 2 7 DG O5' O -5.628 -3.944 20.554 . . . 1.0 . . . . . . . . . . . . B . 7 DG O5' . . . . . . . . . rr_1b5k 1
. 2 . 1261 . 2 2 7 DG O6 O -0.570 -3.418 13.603 . . . 1.0 . . . . . . . . . . . . B . 7 DG O6 . . . . . . . . . rr_1b5k 1
. 2 . 1262 . 2 2 7 DG OP1 O -6.321 -3.330 22.891 . . . 1.0 . . . . . . . . . . . . B . 7 DG OP1 . . . . . . . . . rr_1b5k 1
. 2 . 1263 . 2 2 7 DG OP2 O -4.077 -4.473 22.445 . . . 1.0 . . . . . . . . . . . . B . 7 DG OP2 . . . . . . . . . rr_1b5k 1
. 2 . 1264 . 2 2 7 DG P P -5.132 -3.520 22.029 . . . 1.0 . . . . . . . . . . . . B . 7 DG P . . . . . . . . . rr_1b5k 1
. 2 . 1265 . 2 2 8 DT C1' C -6.554 -5.903 12.067 . . . 1.0 . . . . . . . . . . . . B . 8 DT C1' . . . . . . . . . rr_1b5k 1
. 2 . 1266 . 2 2 8 DT C2 C -4.128 -5.932 11.664 . . . 1.0 . . . . . . . . . . . . B . 8 DT C2 . . . . . . . . . rr_1b5k 1
. 2 . 1267 . 2 2 8 DT C2' C -7.546 -7.046 12.272 . . . 1.0 . . . . . . . . . . . . B . 8 DT C2' . . . . . . . . . rr_1b5k 1
. 2 . 1268 . 2 2 8 DT C3' C -8.842 -6.284 12.085 . . . 1.0 . . . . . . . . . . . . B . 8 DT C3' . . . . . . . . . rr_1b5k 1
. 2 . 1269 . 2 2 8 DT C4 C -2.541 -6.736 13.358 . . . 1.0 . . . . . . . . . . . . B . 8 DT C4 . . . . . . . . . rr_1b5k 1
. 2 . 1270 . 2 2 8 DT C4' C -8.540 -5.026 12.906 . . . 1.0 . . . . . . . . . . . . B . 8 DT C4' . . . . . . . . . rr_1b5k 1
. 2 . 1271 . 2 2 8 DT C5 C -3.680 -6.998 14.211 . . . 1.0 . . . . . . . . . . . . B . 8 DT C5 . . . . . . . . . rr_1b5k 1
. 2 . 1272 . 2 2 8 DT C5' C -9.019 -5.132 14.355 . . . 1.0 . . . . . . . . . . . . B . 8 DT C5' . . . . . . . . . rr_1b5k 1
. 2 . 1273 . 2 2 8 DT C6 C -4.933 -6.730 13.789 . . . 1.0 . . . . . . . . . . . . B . 8 DT C6 . . . . . . . . . rr_1b5k 1
. 2 . 1274 . 2 2 8 DT C7 C -3.459 -7.593 15.606 . . . 1.0 . . . . . . . . . . . . B . 8 DT C7 . . . . . . . . . rr_1b5k 1
. 2 . 1275 . 2 2 8 DT H1' H -6.550 -5.633 11.011 . . . 1.0 . . . . . . . . . . . . B . 8 DT H1' . . . . . . . . . rr_1b5k 1
. 2 . 1276 . 2 2 8 DT H2' H -7.493 -7.370 13.311 . . . 1.0 . . . . . . . . . . . . B . 8 DT H2' . . . . . . . . . rr_1b5k 1
. 2 . 1277 . 2 2 8 DT H2'' H -7.401 -7.882 11.589 . . . 1.0 . . . . . . . . . . . . B . 8 DT H2'' . . . . . . . . . rr_1b5k 1
. 2 . 1278 . 2 2 8 DT H3 H -2.097 -6.012 11.500 . . . 1.0 . . . . . . . . . . . . B . 8 DT H3 . . . . . . . . . rr_1b5k 1
. 2 . 1279 . 2 2 8 DT H3' H -9.702 -6.805 12.506 . . . 1.0 . . . . . . . . . . . . B . 8 DT H3' . . . . . . . . . rr_1b5k 1
. 2 . 1280 . 2 2 8 DT H4' H -9.049 -4.184 12.437 . . . 1.0 . . . . . . . . . . . . B . 8 DT H4' . . . . . . . . . rr_1b5k 1
. 2 . 1281 . 2 2 8 DT H5' H -8.775 -4.201 14.868 . . . 1.0 . . . . . . . . . . . . B . 8 DT H5' . . . . . . . . . rr_1b5k 1
. 2 . 1282 . 2 2 8 DT H5'' H -10.100 -5.268 14.362 . . . 1.0 . . . . . . . . . . . . B . 8 DT H5'' . . . . . . . . . rr_1b5k 1
. 2 . 1283 . 2 2 8 DT H6 H -5.754 -6.938 14.474 . . . 1.0 . . . . . . . . . . . . B . 8 DT H6 . . . . . . . . . rr_1b5k 1
. 2 . 1284 . 2 2 8 DT H71 H -2.394 -7.749 15.782 . . . 1.0 . . . . . . . . . . . . B . 8 DT H71 . . . . . . . . . rr_1b5k 1
. 2 . 1285 . 2 2 8 DT H72 H -3.847 -6.918 16.369 . . . 1.0 . . . . . . . . . . . . B . 8 DT H72 . . . . . . . . . rr_1b5k 1
. 2 . 1286 . 2 2 8 DT H73 H -3.976 -8.550 15.680 . . . 1.0 . . . . . . . . . . . . B . 8 DT H73 . . . . . . . . . rr_1b5k 1
. 2 . 1287 . 2 2 8 DT N1 N -5.174 -6.206 12.537 . . . 1.0 . . . . . . . . . . . . B . 8 DT N1 . . . . . . . . . rr_1b5k 1
. 2 . 1288 . 2 2 8 DT N3 N -2.863 -6.213 12.126 . . . 1.0 . . . . . . . . . . . . B . 8 DT N3 . . . . . . . . . rr_1b5k 1
. 2 . 1289 . 2 2 8 DT O2 O -4.282 -5.466 10.539 . . . 1.0 . . . . . . . . . . . . B . 8 DT O2 . . . . . . . . . rr_1b5k 1
. 2 . 1290 . 2 2 8 DT O3' O -9.167 -5.954 10.724 . . . 1.0 . . . . . . . . . . . . B . 8 DT O3' . . . . . . . . . rr_1b5k 1
. 2 . 1291 . 2 2 8 DT O4 O -1.362 -6.929 13.640 . . . 1.0 . . . . . . . . . . . . B . 8 DT O4 . . . . . . . . . rr_1b5k 1
. 2 . 1292 . 2 2 8 DT O4' O -7.117 -4.808 12.810 . . . 1.0 . . . . . . . . . . . . B . 8 DT O4' . . . . . . . . . rr_1b5k 1
. 2 . 1293 . 2 2 8 DT O5' O -8.395 -6.225 15.049 . . . 1.0 . . . . . . . . . . . . B . 8 DT O5' . . . . . . . . . rr_1b5k 1
. 2 . 1294 . 2 2 8 DT OP1 O -10.283 -6.719 16.632 . . . 1.0 . . . . . . . . . . . . B . 8 DT OP1 . . . . . . . . . rr_1b5k 1
. 2 . 1295 . 2 2 8 DT OP2 O -7.961 -7.743 16.991 . . . 1.0 . . . . . . . . . . . . B . 8 DT OP2 . . . . . . . . . rr_1b5k 1
. 2 . 1296 . 2 2 8 DT P P -8.809 -6.608 16.556 . . . 1.0 . . . . . . . . . . . . B . 8 DT P . . . . . . . . . rr_1b5k 1
. 2 . 1297 . 2 2 9 DA C1' C -4.843 -7.811 7.164 . . . 1.0 . . . . . . . . . . . . B . 9 DA C1' . . . . . . . . . rr_1b5k 1
. 2 . 1298 . 2 2 9 DA C2 C -0.541 -7.930 7.922 . . . 1.0 . . . . . . . . . . . . B . 9 DA C2 . . . . . . . . . rr_1b5k 1
. 2 . 1299 . 2 2 9 DA C2' C -6.022 -8.754 6.951 . . . 1.0 . . . . . . . . . . . . B . 9 DA C2' . . . . . . . . . rr_1b5k 1
. 2 . 1300 . 2 2 9 DA C3' C -6.907 -7.891 6.069 . . . 1.0 . . . . . . . . . . . . B . 9 DA C3' . . . . . . . . . rr_1b5k 1
. 2 . 1301 . 2 2 9 DA C4 C -2.663 -8.170 8.451 . . . 1.0 . . . . . . . . . . . . B . 9 DA C4 . . . . . . . . . rr_1b5k 1
. 2 . 1302 . 2 2 9 DA C4' C -6.752 -6.529 6.758 . . . 1.0 . . . . . . . . . . . . B . 9 DA C4' . . . . . . . . . rr_1b5k 1
. 2 . 1303 . 2 2 9 DA C5 C -2.369 -8.568 9.731 . . . 1.0 . . . . . . . . . . . . B . 9 DA C5 . . . . . . . . . rr_1b5k 1
. 2 . 1304 . 2 2 9 DA C5' C -7.929 -6.151 7.665 . . . 1.0 . . . . . . . . . . . . B . 9 DA C5' . . . . . . . . . rr_1b5k 1
. 2 . 1305 . 2 2 9 DA C6 C -1.014 -8.630 10.073 . . . 1.0 . . . . . . . . . . . . B . 9 DA C6 . . . . . . . . . rr_1b5k 1
. 2 . 1306 . 2 2 9 DA C8 C -4.456 -8.591 9.574 . . . 1.0 . . . . . . . . . . . . B . 9 DA C8 . . . . . . . . . rr_1b5k 1
. 2 . 1307 . 2 2 9 DA H1' H -4.237 -7.742 6.262 . . . 1.0 . . . . . . . . . . . . B . 9 DA H1' . . . . . . . . . rr_1b5k 1
. 2 . 1308 . 2 2 9 DA H2 H 0.239 -7.676 7.205 . . . 1.0 . . . . . . . . . . . . B . 9 DA H2 . . . . . . . . . rr_1b5k 1
. 2 . 1309 . 2 2 9 DA H2' H -6.507 -8.886 7.919 . . . 1.0 . . . . . . . . . . . . B . 9 DA H2' . . . . . . . . . rr_1b5k 1
. 2 . 1310 . 2 2 9 DA H2'' H -5.733 -9.715 6.524 . . . 1.0 . . . . . . . . . . . . B . 9 DA H2'' . . . . . . . . . rr_1b5k 1
. 2 . 1311 . 2 2 9 DA H3' H -7.951 -8.204 6.083 . . . 1.0 . . . . . . . . . . . . B . 9 DA H3' . . . . . . . . . rr_1b5k 1
. 2 . 1312 . 2 2 9 DA H4' H -6.688 -5.780 5.968 . . . 1.0 . . . . . . . . . . . . B . 9 DA H4' . . . . . . . . . rr_1b5k 1
. 2 . 1313 . 2 2 9 DA H5' H -7.721 -5.182 8.118 . . . 1.0 . . . . . . . . . . . . B . 9 DA H5' . . . . . . . . . rr_1b5k 1
. 2 . 1314 . 2 2 9 DA H5'' H -8.824 -6.068 7.048 . . . 1.0 . . . . . . . . . . . . B . 9 DA H5'' . . . . . . . . . rr_1b5k 1
. 2 . 1315 . 2 2 9 DA H61 H 0.430 -9.002 11.583 . . . 1.0 . . . . . . . . . . . . B . 9 DA H61 . . . . . . . . . rr_1b5k 1
. 2 . 1316 . 2 2 9 DA H62 H -1.228 -9.314 12.068 . . . 1.0 . . . . . . . . . . . . B . 9 DA H62 . . . . . . . . . rr_1b5k 1
. 2 . 1317 . 2 2 9 DA H8 H -5.516 -8.705 9.796 . . . 1.0 . . . . . . . . . . . . B . 9 DA H8 . . . . . . . . . rr_1b5k 1
. 2 . 1318 . 2 2 9 DA N1 N -0.126 -8.299 9.128 . . . 1.0 . . . . . . . . . . . . B . 9 DA N1 . . . . . . . . . rr_1b5k 1
. 2 . 1319 . 2 2 9 DA N3 N -1.785 -7.832 7.483 . . . 1.0 . . . . . . . . . . . . B . 9 DA N3 . . . . . . . . . rr_1b5k 1
. 2 . 1320 . 2 2 9 DA N6 N -0.557 -9.021 11.371 . . . 1.0 . . . . . . . . . . . . B . 9 DA N6 . . . . . . . . . rr_1b5k 1
. 2 . 1321 . 2 2 9 DA N7 N -3.530 -8.839 10.451 . . . 1.0 . . . . . . . . . . . . B . 9 DA N7 . . . . . . . . . rr_1b5k 1
. 2 . 1322 . 2 2 9 DA N9 N -4.033 -8.184 8.345 . . . 1.0 . . . . . . . . . . . . B . 9 DA N9 . . . . . . . . . rr_1b5k 1
. 2 . 1323 . 2 2 9 DA O3' O -6.506 -7.808 4.692 . . . 1.0 . . . . . . . . . . . . B . 9 DA O3' . . . . . . . . . rr_1b5k 1
. 2 . 1324 . 2 2 9 DA O4' O -5.480 -6.553 7.436 . . . 1.0 . . . . . . . . . . . . B . 9 DA O4' . . . . . . . . . rr_1b5k 1
. 2 . 1325 . 2 2 9 DA O5' O -8.169 -7.115 8.705 . . . 1.0 . . . . . . . . . . . . B . 9 DA O5' . . . . . . . . . rr_1b5k 1
. 2 . 1326 . 2 2 9 DA OP1 O -10.622 -6.551 8.773 . . . 1.0 . . . . . . . . . . . . B . 9 DA OP1 . . . . . . . . . rr_1b5k 1
. 2 . 1327 . 2 2 9 DA OP2 O -9.653 -8.388 10.267 . . . 1.0 . . . . . . . . . . . . B . 9 DA OP2 . . . . . . . . . rr_1b5k 1
. 2 . 1328 . 2 2 9 DA P P -9.511 -7.071 9.604 . . . 1.0 . . . . . . . . . . . . B . 9 DA P . . . . . . . . . rr_1b5k 1
. 2 . 1329 . 2 2 10 DC C1' C -1.379 -10.323 4.854 . . . 1.0 . . . . . . . . . . . . B . 10 DC C1' . . . . . . . . . rr_1b5k 1
. 2 . 1330 . 2 2 10 DC C2 C -0.306 -10.998 6.971 . . . 1.0 . . . . . . . . . . . . B . 10 DC C2 . . . . . . . . . rr_1b5k 1
. 2 . 1331 . 2 2 10 DC C2' C -2.108 -11.196 3.843 . . . 1.0 . . . . . . . . . . . . B . 10 DC C2' . . . . . . . . . rr_1b5k 1
. 2 . 1332 . 2 2 10 DC C3' C -2.093 -10.262 2.649 . . . 1.0 . . . . . . . . . . . . B . 10 DC C3' . . . . . . . . . rr_1b5k 1
. 2 . 1333 . 2 2 10 DC C4 C -1.572 -11.678 8.824 . . . 1.0 . . . . . . . . . . . . B . 10 DC C4 . . . . . . . . . rr_1b5k 1
. 2 . 1334 . 2 2 10 DC C4' C -2.406 -8.916 3.323 . . . 1.0 . . . . . . . . . . . . B . 10 DC C4' . . . . . . . . . rr_1b5k 1
. 2 . 1335 . 2 2 10 DC C5 C -2.794 -11.494 8.112 . . . 1.0 . . . . . . . . . . . . B . 10 DC C5 . . . . . . . . . rr_1b5k 1
. 2 . 1336 . 2 2 10 DC C5' C -3.856 -8.460 3.172 . . . 1.0 . . . . . . . . . . . . B . 10 DC C5' . . . . . . . . . rr_1b5k 1
. 2 . 1337 . 2 2 10 DC C6 C -2.706 -11.059 6.836 . . . 1.0 . . . . . . . . . . . . B . 10 DC C6 . . . . . . . . . rr_1b5k 1
. 2 . 1338 . 2 2 10 DC H1' H -0.337 -10.245 4.547 . . . 1.0 . . . . . . . . . . . . B . 10 DC H1' . . . . . . . . . rr_1b5k 1
. 2 . 1339 . 2 2 10 DC H2' H -3.143 -11.322 4.162 . . . 1.0 . . . . . . . . . . . . B . 10 DC H2' . . . . . . . . . rr_1b5k 1
. 2 . 1340 . 2 2 10 DC H2'' H -1.588 -12.141 3.683 . . . 1.0 . . . . . . . . . . . . B . 10 DC H2'' . . . . . . . . . rr_1b5k 1
. 2 . 1341 . 2 2 10 DC H3' H -2.866 -10.510 1.922 . . . 1.0 . . . . . . . . . . . . B . 10 DC H3' . . . . . . . . . rr_1b5k 1
. 2 . 1342 . 2 2 10 DC H4' H -1.764 -8.168 2.857 . . . 1.0 . . . . . . . . . . . . B . 10 DC H4' . . . . . . . . . rr_1b5k 1
. 2 . 1343 . 2 2 10 DC H41 H -0.733 -12.192 10.683 . . . 1.0 . . . . . . . . . . . . B . 10 DC H41 . . . . . . . . . rr_1b5k 1
. 2 . 1344 . 2 2 10 DC H42 H -2.487 -12.372 10.609 . . . 1.0 . . . . . . . . . . . . B . 10 DC H42 . . . . . . . . . rr_1b5k 1
. 2 . 1345 . 2 2 10 DC H5 H -3.746 -11.706 8.600 . . . 1.0 . . . . . . . . . . . . B . 10 DC H5 . . . . . . . . . rr_1b5k 1
. 2 . 1346 . 2 2 10 DC H5' H -3.962 -7.495 3.668 . . . 1.0 . . . . . . . . . . . . B . 10 DC H5' . . . . . . . . . rr_1b5k 1
. 2 . 1347 . 2 2 10 DC H5'' H -4.080 -8.339 2.111 . . . 1.0 . . . . . . . . . . . . B . 10 DC H5'' . . . . . . . . . rr_1b5k 1
. 2 . 1348 . 2 2 10 DC H6 H -3.628 -10.907 6.275 . . . 1.0 . . . . . . . . . . . . B . 10 DC H6 . . . . . . . . . rr_1b5k 1
. 2 . 1349 . 2 2 10 DC N1 N -1.486 -10.809 6.257 . . . 1.0 . . . . . . . . . . . . B . 10 DC N1 . . . . . . . . . rr_1b5k 1
. 2 . 1350 . 2 2 10 DC N3 N -0.390 -11.432 8.253 . . . 1.0 . . . . . . . . . . . . B . 10 DC N3 . . . . . . . . . rr_1b5k 1
. 2 . 1351 . 2 2 10 DC N4 N -1.606 -12.129 10.178 . . . 1.0 . . . . . . . . . . . . B . 10 DC N4 . . . . . . . . . rr_1b5k 1
. 2 . 1352 . 2 2 10 DC O2 O 0.797 -10.786 6.477 . . . 1.0 . . . . . . . . . . . . B . 10 DC O2 . . . . . . . . . rr_1b5k 1
. 2 . 1353 . 2 2 10 DC O3' O -0.840 -10.203 1.947 . . . 1.0 . . . . . . . . . . . . B . 10 DC O3' . . . . . . . . . rr_1b5k 1
. 2 . 1354 . 2 2 10 DC O4' O -2.005 -9.043 4.704 . . . 1.0 . . . . . . . . . . . . B . 10 DC O4' . . . . . . . . . rr_1b5k 1
. 2 . 1355 . 2 2 10 DC O5' O -4.793 -9.381 3.750 . . . 1.0 . . . . . . . . . . . . B . 10 DC O5' . . . . . . . . . rr_1b5k 1
. 2 . 1356 . 2 2 10 DC OP1 O -6.739 -8.650 2.339 . . . 1.0 . . . . . . . . . . . . B . 10 DC OP1 . . . . . . . . . rr_1b5k 1
. 2 . 1357 . 2 2 10 DC OP2 O -7.074 -10.239 4.318 . . . 1.0 . . . . . . . . . . . . B . 10 DC OP2 . . . . . . . . . rr_1b5k 1
. 2 . 1358 . 2 2 10 DC P P -6.376 -9.085 3.707 . . . 1.0 . . . . . . . . . . . . B . 10 DC P . . . . . . . . . rr_1b5k 1
. 2 . 1359 . 2 2 11 DG C1' C 3.037 -13.540 4.979 . . . 1.0 . . . . . . . . . . . . B . 11 DG C1' . . . . . . . . . rr_1b5k 1
. 2 . 1360 . 2 2 11 DG C2 C 4.025 -14.577 9.070 . . . 1.0 . . . . . . . . . . . . B . 11 DG C2 . . . . . . . . . rr_1b5k 1
. 2 . 1361 . 2 2 11 DG C2' C 2.671 -14.194 3.660 . . . 1.0 . . . . . . . . . . . . B . 11 DG C2' . . . . . . . . . rr_1b5k 1
. 2 . 1362 . 2 2 11 DG C3' C 3.536 -13.360 2.730 . . . 1.0 . . . . . . . . . . . . B . 11 DG C3' . . . . . . . . . rr_1b5k 1
. 2 . 1363 . 2 2 11 DG C4 C 2.608 -14.228 7.379 . . . 1.0 . . . . . . . . . . . . B . 11 DG C4 . . . . . . . . . rr_1b5k 1
. 2 . 1364 . 2 2 11 DG C4' C 3.270 -11.956 3.295 . . . 1.0 . . . . . . . . . . . . B . 11 DG C4' . . . . . . . . . rr_1b5k 1
. 2 . 1365 . 2 2 11 DG C5 C 1.487 -14.508 8.120 . . . 1.0 . . . . . . . . . . . . B . 11 DG C5 . . . . . . . . . rr_1b5k 1
. 2 . 1366 . 2 2 11 DG C5' C 2.213 -11.186 2.499 . . . 1.0 . . . . . . . . . . . . B . 11 DG C5' . . . . . . . . . rr_1b5k 1
. 2 . 1367 . 2 2 11 DG C6 C 1.628 -14.863 9.484 . . . 1.0 . . . . . . . . . . . . B . 11 DG C6 . . . . . . . . . rr_1b5k 1
. 2 . 1368 . 2 2 11 DG C8 C 0.820 -14.041 6.186 . . . 1.0 . . . . . . . . . . . . B . 11 DG C8 . . . . . . . . . rr_1b5k 1
. 2 . 1369 . 2 2 11 DG H1 H 3.095 -15.122 10.856 . . . 1.0 . . . . . . . . . . . . B . 11 DG H1 . . . . . . . . . rr_1b5k 1
. 2 . 1370 . 2 2 11 DG H1' H 4.069 -13.809 5.207 . . . 1.0 . . . . . . . . . . . . B . 11 DG H1' . . . . . . . . . rr_1b5k 1
. 2 . 1371 . 2 2 11 DG H2' H 1.617 -14.003 3.456 . . . 1.0 . . . . . . . . . . . . B . 11 DG H2' . . . . . . . . . rr_1b5k 1
. 2 . 1372 . 2 2 11 DG H2'' H 2.878 -15.264 3.679 . . . 1.0 . . . . . . . . . . . . B . 11 DG H2'' . . . . . . . . . rr_1b5k 1
. 2 . 1373 . 2 2 11 DG H21 H 5.421 -14.893 10.623 . . . 1.0 . . . . . . . . . . . . B . 11 DG H21 . . . . . . . . . rr_1b5k 1
. 2 . 1374 . 2 2 11 DG H22 H 6.134 -14.404 9.092 . . . 1.0 . . . . . . . . . . . . B . 11 DG H22 . . . . . . . . . rr_1b5k 1
. 2 . 1375 . 2 2 11 DG H3' H 3.234 -13.422 1.685 . . . 1.0 . . . . . . . . . . . . B . 11 DG H3' . . . . . . . . . rr_1b5k 1
. 2 . 1376 . 2 2 11 DG H4' H 4.204 -11.396 3.248 . . . 1.0 . . . . . . . . . . . . B . 11 DG H4' . . . . . . . . . rr_1b5k 1
. 2 . 1377 . 2 2 11 DG H5' H 2.040 -10.223 2.980 . . . 1.0 . . . . . . . . . . . . B . 11 DG H5' . . . . . . . . . rr_1b5k 1
. 2 . 1378 . 2 2 11 DG H5'' H 2.605 -11.012 1.497 . . . 1.0 . . . . . . . . . . . . B . 11 DG H5'' . . . . . . . . . rr_1b5k 1
. 2 . 1379 . 2 2 11 DG H8 H 0.181 -13.863 5.321 . . . 1.0 . . . . . . . . . . . . B . 11 DG H8 . . . . . . . . . rr_1b5k 1
. 2 . 1380 . 2 2 11 DG HO3' H 5.042 -14.551 2.401 . . . 1.0 . . . . . . . . . . . . B . 11 DG HO3' . . . . . . . . . rr_1b5k 1
. 2 . 1381 . 2 2 11 DG N1 N 2.953 -14.874 9.887 . . . 1.0 . . . . . . . . . . . . B . 11 DG N1 . . . . . . . . . rr_1b5k 1
. 2 . 1382 . 2 2 11 DG N2 N 5.325 -14.631 9.652 . . . 1.0 . . . . . . . . . . . . B . 11 DG N2 . . . . . . . . . rr_1b5k 1
. 2 . 1383 . 2 2 11 DG N3 N 3.899 -14.242 7.786 . . . 1.0 . . . . . . . . . . . . B . 11 DG N3 . . . . . . . . . rr_1b5k 1
. 2 . 1384 . 2 2 11 DG N7 N 0.335 -14.386 7.343 . . . 1.0 . . . . . . . . . . . . B . 11 DG N7 . . . . . . . . . rr_1b5k 1
. 2 . 1385 . 2 2 11 DG N9 N 2.175 -13.920 6.114 . . . 1.0 . . . . . . . . . . . . B . 11 DG N9 . . . . . . . . . rr_1b5k 1
. 2 . 1386 . 2 2 11 DG O3' O 4.926 -13.699 2.826 . . . 1.0 . . . . . . . . . . . . B . 11 DG O3' . . . . . . . . . rr_1b5k 1
. 2 . 1387 . 2 2 11 DG O4' O 2.931 -12.140 4.685 . . . 1.0 . . . . . . . . . . . . B . 11 DG O4' . . . . . . . . . rr_1b5k 1
. 2 . 1388 . 2 2 11 DG O5' O 0.970 -11.899 2.389 . . . 1.0 . . . . . . . . . . . . B . 11 DG O5' . . . . . . . . . rr_1b5k 1
. 2 . 1389 . 2 2 11 DG O6 O 0.752 -15.144 10.294 . . . 1.0 . . . . . . . . . . . . B . 11 DG O6 . . . . . . . . . rr_1b5k 1
. 2 . 1390 . 2 2 11 DG OP1 O 0.577 -11.053 0.056 . . . 1.0 . . . . . . . . . . . . B . 11 DG OP1 . . . . . . . . . rr_1b5k 1
. 2 . 1391 . 2 2 11 DG OP2 O -1.114 -12.599 1.193 . . . 1.0 . . . . . . . . . . . . B . 11 DG OP2 . . . . . . . . . rr_1b5k 1
. 2 . 1392 . 2 2 11 DG P P -0.131 -11.494 1.280 . . . 1.0 . . . . . . . . . . . . B . 11 DG P . . . . . . . . . rr_1b5k 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_1b5k
_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 1b5k.mr . . "MR format" 1 comment "Not applicable" "Not applicable" 0 rr_1b5k 1
1 1b5k.mr . . XPLOR/CNS 2 distance NOE simple 190 rr_1b5k 1
1 1b5k.mr . . n/a 3 comment "Not applicable" "Not applicable" 0 rr_1b5k 1
1 1b5k.mr . . XPLOR/CNS 4 distance "hydrogen bond" ambi 0 rr_1b5k 1
1 1b5k.mr . . n/a 5 comment "Not applicable" "Not applicable" 0 rr_1b5k 1
1 1b5k.mr . . XPLOR/CNS 6 peak "Not applicable" "Not applicable" 0 rr_1b5k 1
1 1b5k.mr . . n/a 7 comment "Not applicable" "Not applicable" 0 rr_1b5k 1
1 1b5k.mr . . XPLOR/CNS 8 peak "Not applicable" "Not applicable" 0 rr_1b5k 1
1 1b5k.mr . . n/a 9 comment "Not applicable" "Not applicable" 0 rr_1b5k 1
1 1b5k.mr . . XPLOR/CNS 10 peak "Not applicable" "Not applicable" 0 rr_1b5k 1
1 1b5k.mr . . n/a 11 comment "Not applicable" "Not applicable" 0 rr_1b5k 1
1 1b5k.mr . . XPLOR/CNS 12 peak "Not applicable" "Not applicable" 0 rr_1b5k 1
1 1b5k.mr . . n/a 13 comment "Not applicable" "Not applicable" 0 rr_1b5k 1
1 1b5k.mr . . "MR format" 14 "nomenclature mapping" "Not applicable" "Not applicable" 0 rr_1b5k 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_1b5k
_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: '1b5k'" . . . . distance "general distance" . 24 rr_1b5k 1
2 "From CCPN project: '1b5k'" . . . . distance "hydrogen bond" . 0 rr_1b5k 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 1b5k.mr . . "MR format" 1 comment "Not applicable" "Not applicable" 0 rr_1b5k 1
1 1b5k.mr . . XPLOR/CNS 2 distance NOE simple 190 rr_1b5k 1
1 1b5k.mr . . n/a 3 comment "Not applicable" "Not applicable" 0 rr_1b5k 1
1 1b5k.mr . . XPLOR/CNS 4 distance "hydrogen bond" ambi 0 rr_1b5k 1
1 1b5k.mr . . n/a 5 comment "Not applicable" "Not applicable" 0 rr_1b5k 1
1 1b5k.mr . . XPLOR/CNS 6 peak "Not applicable" "Not applicable" 0 rr_1b5k 1
1 1b5k.mr . . n/a 7 comment "Not applicable" "Not applicable" 0 rr_1b5k 1
1 1b5k.mr . . XPLOR/CNS 8 peak "Not applicable" "Not applicable" 0 rr_1b5k 1
1 1b5k.mr . . n/a 9 comment "Not applicable" "Not applicable" 0 rr_1b5k 1
1 1b5k.mr . . XPLOR/CNS 10 peak "Not applicable" "Not applicable" 0 rr_1b5k 1
1 1b5k.mr . . n/a 11 comment "Not applicable" "Not applicable" 0 rr_1b5k 1
1 1b5k.mr . . XPLOR/CNS 12 peak "Not applicable" "Not applicable" 0 rr_1b5k 1
1 1b5k.mr . . n/a 13 comment "Not applicable" "Not applicable" 0 rr_1b5k 1
1 1b5k.mr . . "MR format" 14 "nomenclature mapping" "Not applicable" "Not applicable" 0 rr_1b5k 1
stop_
save_
save_CNS/XPLOR_distance_constraints_2
_Gen_dist_constraint_list.Sf_category general_distance_constraints
_Gen_dist_constraint_list.Sf_framecode CNS/XPLOR_distance_constraints_2
_Gen_dist_constraint_list.Entry_ID rr_1b5k
_Gen_dist_constraint_list.ID 1
_Gen_dist_constraint_list.Constraint_type NOE
_Gen_dist_constraint_list.Details "Generated by Wattos"
_Gen_dist_constraint_list.Constraint_file_ID 1
_Gen_dist_constraint_list.Block_ID 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_1b5k 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 2 2 DC H1' H . . . 2 2 2 2 DC H3' H . . . . . 4.55 3.75 5.05 . . . . . B . 2 DC H1' . . B . 2 DC H3' . EDC1 . 2 . H1* . . . EDC1 . 2 . H3* . . rr_1b5k 1
2 1 . . 2 2 6 6 DT H6 H . . . 2 2 6 6 DT H1' H . . . . . 2.30 1.80 2.80 . . . . . B . 6 DT H6 . . B . 6 DT H1' . EDC1 . 6 . H6 . . . EDC1 . 6 . H1* . . rr_1b5k 1
3 1 . . 1 1 6 6 EDC H6 H . . . 1 1 6 6 EDC H1' H . . . . . 3.17 2.67 3.67 . . . . . A . 6 EDC H6 . . A . 6 EDC H1' . EDC2 . 6 . H6 . . . EDC2 . 6 . H1* . . rr_1b5k 1
4 1 . . 1 1 6 6 EDC H6 H . . . 1 1 6 6 EDC H3' H . . . . . 3.30 2.80 3.80 . . . . . A . 6 EDC H6 . . A . 6 EDC H3' . EDC2 . 6 . H6 . . . EDC2 . 6 . H3* . . rr_1b5k 1
5 1 . . 2 2 7 7 DG H2' H . . . 2 2 7 7 DG H1' H . . . . . 2.89 2.39 3.39 . . . . . B . 7 DG H1' . . B . 7 DG H2' . EDC1 . 7 . H1* . . . EDC1 . 7 . H2* . . rr_1b5k 1
6 1 . . 2 2 5 5 DG H1' H . . . 2 2 5 5 DG H2' H . . . . . 2.79 2.29 3.29 . . . . . B . 5 DG H1' . . B . 5 DG H2' . EDC1 . 5 . H1* . . . EDC1 . 5 . H2* . . rr_1b5k 1
7 1 . . 2 2 7 7 DG H2'' H . . . 2 2 7 7 DG H1' H . . . . . 2.41 1.91 2.91 . . . . . B . 7 DG H1' . . B . 7 DG H2'' . EDC1 . 7 . H1* . . . EDC1 . 7 . H2** . . rr_1b5k 1
8 1 . . 2 2 5 5 DG H2'' H . . . 2 2 5 5 DG H1' H . . . . . 2.28 1.78 2.78 . . . . . B . 5 DG H1' . . B . 5 DG H2'' . EDC1 . 5 . H1* . . . EDC1 . 5 . H2** . . rr_1b5k 1
9 1 . . 2 2 7 7 DG H3' H . . . 2 2 7 7 DG H1' H . . . . . 3.95 3.45 4.45 . . . . . B . 7 DG H1' . . B . 7 DG H3' . EDC1 . 7 . H1* . . . EDC1 . 7 . H3* . . rr_1b5k 1
10 1 . . 2 2 6 6 DT H1' H . . . 2 2 6 6 DT H3' H . . . . . 3.60 3.10 4.10 . . . . . B . 6 DT H1' . . B . 6 DT H3' . EDC1 . 6 . H1* . . . EDC1 . 6 . H3* . . rr_1b5k 1
11 1 . . 1 1 6 6 EDC H6 H . . . 1 1 5 5 DC H1' H . . . . . 3.37 2.87 3.87 . . . . . A . 6 EDC H6 . . A . 5 DC H1' . EDC2 . 6 . H6 . . . EDC2 . 5 . H1* . . rr_1b5k 1
12 1 . . 2 2 6 6 DT H6 H . . . 2 2 5 5 DG H1' H . . . . . 4.66 4.16 5.16 . . . . . B . 6 DT H6 . . B . 5 DG H1' . EDC1 . 6 . H6 . . . EDC1 . 5 . H1* . . rr_1b5k 1
13 1 . . 1 1 6 6 EDC H6 H . . . 1 1 5 5 DC H2' H . . . . . 3.05 2.55 3.55 . . . . . A . 6 EDC H6 . . A . 5 DC H2' . EDC2 . 6 . H6 . . . EDC2 . 5 . H2* . . rr_1b5k 1
14 1 . . 1 1 6 6 EDC H6 H . . . 1 1 5 5 DC H2'' H . . . . . 2.63 2.13 3.13 . . . . . A . 6 EDC H6 . . A . 5 DC H2'' . EDC2 . 6 . H6 . . . EDC2 . 5 . H2** . . rr_1b5k 1
15 1 . . 1 1 6 6 EDC H6 H . . . 1 1 5 5 DC H3' H . . . . . 4.87 4.37 5.37 . . . . . A . 6 EDC H6 . . A . 5 DC H3' . EDC2 . 6 . H6 . . . EDC2 . 5 . H3* . . rr_1b5k 1
16 1 . . 1 1 2 2 DG H1' H . . . 1 1 2 2 DG H2' H . . . . . 2.74 2.24 3.24 . . . . . A . 2 DG H1' . . A . 2 DG H2' . EDC2 . 2 . H1* . . . EDC2 . 2 . H2* . . rr_1b5k 1
17 1 . . 1 1 10 10 DG H2' H . . . 1 1 10 10 DG H1' H . . . . . 3.17 2.67 3.67 . . . . . A . 10 DG H1' . . A . 10 DG H2' . EDC2 . 10 . H1* . . . EDC2 . 10 . H2* . . rr_1b5k 1
18 1 . . 2 2 9 9 DA H1' H . . . 2 2 9 9 DA H2' H . . . . . 3.19 2.69 3.69 . . . . . B . 9 DA H1' . . B . 9 DA H2' . EDC1 . 9 . H1* . . . EDC1 . 9 . H2* . . rr_1b5k 1
19 1 . . 1 1 11 11 DC H1' H . . . 1 1 11 11 DC H2' H . . . . . 2.89 2.39 3.39 . . . . . A . 11 DC H1' . . A . 11 DC H2' . EDC2 . 11 . H1* . . . EDC2 . 11 . H2* . . rr_1b5k 1
20 1 . . 1 1 11 11 DC H2'' H . . . 1 1 11 11 DC H1' H . . . . . 2.22 1.72 2.72 . . . . . A . 11 DC H1' . . A . 11 DC H2'' . EDC2 . 11 . H1* . . . EDC2 . 11 . H2** . . rr_1b5k 1
21 1 . . 2 2 1 1 DG H1' H . . . 2 2 1 1 DG H2'' H . . . . . 2.35 1.85 2.85 . . . . . B . 1 DG H1' . . B . 1 DG H2'' . EDC1 . 1 . H1* . . . EDC1 . 1 . H2** . . rr_1b5k 1
22 1 . . 1 1 2 2 DG H1' H . . . 1 1 2 2 DG H2'' H . . . . . 2.24 1.74 2.74 . . . . . A . 2 DG H1' . . A . 2 DG H2'' . EDC2 . 2 . H1* . . . EDC2 . 2 . H2** . . rr_1b5k 1
23 1 . . 1 1 10 10 DG H1' H . . . 1 1 10 10 DG H2'' H . . . . . 2.24 1.74 2.74 . . . . . A . 10 DG H1' . . A . 10 DG H2'' . EDC2 . 10 . H1* . . . EDC2 . 10 . H2** . . rr_1b5k 1
24 1 . . 2 2 6 6 DT H6 H . . . 2 2 5 5 DG H1' H . . . . . 4.66 4.16 5.16 . . . . . B . 6 DT H6 . . B . 5 DG H1' . EDC1 . 6 . H6 . . . EDC1 . 5 . H1* . . rr_1b5k 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
;REMARKS NOE-derived distance file.
-----------------------------------------------------------------
;
1 1 3 67 rr_1b5k 1
2
;-----------------------------------------------------------------
-----------------------------------------------------------------
;
40 1 41 67 rr_1b5k 1
3
;Restraints on base to H3* -- many wereoverlapped, so have
no noe distance defined.
;
42 1 43 33 rr_1b5k 1
4 ----------------------------------------------------------------- 75 1 75 67 rr_1b5k 1
5
;assign ( resid 6 and name H8 and segid EDC1 )
( resid 6 and name HM* and segid EDC2 ) 5.00 0.50 5.00
assign ( resid 6 and name H7 and segid EDC1 )
( resid 6 and name HM* and segid EDC2 ) 5.00 0.50 5.00
;
85 1 89 69 rr_1b5k 1
6
;assign ( resid 1 and name H1* and segid EDC2 )
( resid 1 and name H3* and segid EDC2 ) 5.00 0.50 5.00
;
100 1 101 68 rr_1b5k 1
7
;assign ( resid 6 and name H6 and segid EDC2 )
( resid 6 and name HM* and segid EDC2 ) 2.87 0.50 0.50
;
151 1 152 68 rr_1b5k 1
8
;assign ( resid 5 and name H8 and segid EDC2 )
( resid 6 and name HM* and segid EDC2 ) 3.56 0.50 0.50
;
232 1 233 68 rr_1b5k 1
9
;assign ( resid 4 and name H6 and segid EDC2 )
( resid 4 and name HM* and segid EDC2 ) 2.85 0.50 0.50
assign ( resid 9 and name H6 and segid EDC1 )
( resid 9 and name HM* and segid EDC1 ) 2.91 0.50 0.50
assign ( resid 8 and name H6 and segid EDC2 )
( resid 8 and name HM* and segid EDC2 ) 3.00 0.50 0.50
assign ( resid 3 and name H6 and segid EDC1 )
( resid 3 and name HM* and segid EDC1 ) 2.92 0.50 0.50
;
268 1 278 68 rr_1b5k 1
10
;assign ( resid 11 and name H1* and segid EDC2 )
( resid 11 and name H3* and segid EDC2 ) 5.03 0.50 0.50
;
397 1 398 68 rr_1b5k 1
11
;assign ( resid 3 and name H8 and segid EDC2 )
( resid 4 and name HM* and segid EDC2 ) 3.25 0.50 0.50
assign ( resid 8 and name H8 and segid EDC1 )
( resid 9 and name HM* and segid EDC1 ) 3.29 0.50 0.50
assign ( resid 2 and name H8 and segid EDC1 )
( resid 3 and name HM* and segid EDC1 ) 3.48 0.50 0.50
;
421 1 428 68 rr_1b5k 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 2 1 1 "Not handling restraint 1, item 1, resonance(s) 'EDC2.7.H1' (nmrStar names),'EDC1.6.H7' (nmrStar names) not linked" rr_1b5k 1
2 2 2 1 "Not handling restraint 2, item 1, resonance(s) 'EDC2.7.H1' (nmrStar names),'EDC1.6.H8' (nmrStar names) not linked" rr_1b5k 1
3 2 3 1 "Not handling restraint 3, item 1, resonance(s) 'EDC2.7.H1' (nmrStar names),'EDC1.6.H5' (nmrStar names) not linked" rr_1b5k 1
4 2 4 1 "Not handling restraint 4, item 1, resonance(s) 'EDC2.7.H1' (nmrStar names) not linked" rr_1b5k 1
5 2 5 1 "Not handling restraint 5, item 1, resonance(s) 'EDC1.6.H7' (nmrStar names),'EDC1.5.H6' (nmrStar names) not linked" rr_1b5k 1
6 2 6 1 "Not handling restraint 6, item 1, resonance(s) 'EDC1.6.H8' (nmrStar names),'EDC1.5.H6' (nmrStar names) not linked" rr_1b5k 1
7 2 7 1 "Not handling restraint 7, item 1, resonance(s) 'EDC1.6.H7' (nmrStar names),'EDC1.7.H5' (nmrStar names) not linked" rr_1b5k 1
8 2 8 1 "Not handling restraint 8, item 1, resonance(s) 'EDC1.6.H8' (nmrStar names),'EDC1.7.H5' (nmrStar names) not linked" rr_1b5k 1
9 2 9 1 "Not handling restraint 9, item 1, resonance(s) 'EDC1.6.H7' (nmrStar names),'EDC1.7.H6' (nmrStar names) not linked" rr_1b5k 1
10 2 10 1 "Not handling restraint 10, item 1, resonance(s) 'EDC1.6.H8' (nmrStar names),'EDC1.7.H6' (nmrStar names) not linked" rr_1b5k 1
11 2 11 1 "Not handling restraint 11, item 1, resonance(s) 'EDC1.6.H7' (nmrStar names),'EDC1.5.N4' (nmrStar names) not linked" rr_1b5k 1
12 2 12 1 "Not handling restraint 12, item 1, resonance(s) 'EDC1.6.H8' (nmrStar names),'EDC1.7.N4' (nmrStar names) not linked" rr_1b5k 1
13 2 13 1 "Not handling restraint 13, item 1, resonance(s) 'EDC1.1.H6' (nmrStar names) not linked" rr_1b5k 1
14 2 14 1 "Not handling restraint 14, item 1, resonance(s) 'EDC1.3.H6' (nmrStar names) not linked" rr_1b5k 1
15 2 15 1 "Not handling restraint 15, item 1, resonance(s) 'EDC1.4.H8' (nmrStar names) not linked" rr_1b5k 1
16 2 16 1 "Not handling restraint 16, item 1, resonance(s) 'EDC1.5.H6' (nmrStar names) not linked" rr_1b5k 1
17 2 17 1 "Not handling restraint 17, item 1, resonance(s) 'EDC1.7.H6' (nmrStar names) not linked" rr_1b5k 1
18 2 18 1 "Not handling restraint 18, item 1, resonance(s) 'EDC1.8.H8' (nmrStar names) not linked" rr_1b5k 1
19 2 19 1 "Not handling restraint 19, item 1, resonance(s) 'EDC2.4.H6' (nmrStar names) not linked" rr_1b5k 1
20 2 20 1 "Not handling restraint 20, item 1, resonance(s) 'EDC2.8.H6' (nmrStar names) not linked" rr_1b5k 1
21 2 21 1 "Not handling restraint 21, item 1, resonance(s) 'EDC2.9.H8' (nmrStar names) not linked" rr_1b5k 1
22 2 22 1 "Not handling restraint 22, item 1, resonance(s) 'EDC2.10.H6' (nmrStar names) not linked" rr_1b5k 1
23 2 23 1 "Not handling restraint 23, item 1, resonance(s) 'EDC1.5.H5' (nmrStar names) not linked" rr_1b5k 1
24 2 24 1 "Not handling restraint 24, item 1, resonance(s) 'EDC2.5.H8' (nmrStar names) not linked" rr_1b5k 1
25 2 25 1 "Not handling restraint 25, item 1, resonance(s) 'EDC1.6.H8' (nmrStar names),'EDC1.7.H5' (nmrStar names) not linked" rr_1b5k 1
26 2 26 1 "Not handling restraint 26, item 1, resonance(s) 'EDC1.6.H5' (nmrStar names) not linked" rr_1b5k 1
27 2 27 1 "Not handling restraint 27, item 1, resonance(s) 'EDC2.7.H8' (nmrStar names) not linked" rr_1b5k 1
28 2 28 1 "Not handling restraint 28, item 1, resonance(s) 'EDC2.11.H8' (nmrStar names) not linked" rr_1b5k 1
29 2 30 1 "Not handling restraint 30, item 1, resonance(s) 'EDC2.4.H6' (nmrStar names),'EDC2.5.H8' (nmrStar names) not linked" rr_1b5k 1
30 2 31 1 "Not handling restraint 31, item 1, resonance(s) 'EDC1.8.H8' (nmrStar names),'EDC1.9.H6' (nmrStar names) not linked" rr_1b5k 1
31 2 32 1 "Not handling restraint 32, item 1, resonance(s) 'EDC1.3.H6' (nmrStar names),'EDC1.2.H8' (nmrStar names) not linked" rr_1b5k 1
32 2 33 1 "Not handling restraint 33, item 1, resonance(s) 'EDC1.8.H8' (nmrStar names) not linked" rr_1b5k 1
33 2 34 1 "Not handling restraint 34, item 1, resonance(s) 'EDC2.4.H6' (nmrStar names) not linked" rr_1b5k 1
34 2 35 1 "Not handling restraint 35, item 1, resonance(s) 'EDC1.9.H6' (nmrStar names) not linked" rr_1b5k 1
35 2 36 1 "Not handling restraint 36, item 1, resonance(s) 'EDC1.11.H6' (nmrStar names) not linked" rr_1b5k 1
36 2 37 1 "Not handling restraint 37, item 1, resonance(s) 'EDC1.3.H6' (nmrStar names) not linked" rr_1b5k 1
37 2 38 1 "Not handling restraint 38, item 1, resonance(s) 'EDC2.5.H8' (nmrStar names) not linked" rr_1b5k 1
38 2 39 1 "Not handling restraint 39, item 1, resonance(s) 'EDC2.11.H8' (nmrStar names) not linked" rr_1b5k 1
39 2 40 1 "Not handling restraint 40, item 1, resonance(s) 'EDC1.10.H8' (nmrStar names) not linked" rr_1b5k 1
40 2 41 1 "Not handling restraint 41, item 1, resonance(s) 'EDC1.6.H5' (nmrStar names) not linked" rr_1b5k 1
41 2 42 1 "Not handling restraint 42, item 1, resonance(s) 'EDC1.5.H6' (nmrStar names),'EDC1.5.H5' (nmrStar names) not linked" rr_1b5k 1
42 2 43 1 "Not handling restraint 43, item 1, resonance(s) 'EDC1.7.H5' (nmrStar names),'EDC1.7.H6' (nmrStar names) not linked" rr_1b5k 1
43 2 44 1 "Not handling restraint 44, item 1, resonance(s) 'EDC1.6.H7' (nmrStar names),'EDC1.6.H8' (nmrStar names) not linked" rr_1b5k 1
44 2 45 1 "Not handling restraint 45, item 1, resonance(s) 'EDC1.6.H5' (nmrStar names) not linked" rr_1b5k 1
45 2 47 1 "Not handling restraint 47, item 1, resonance(s) 'EDC1.5.H6' (nmrStar names) not linked" rr_1b5k 1
46 2 49 1 "Not handling restraint 49, item 1, resonance(s) 'EDC2.5.H8' (nmrStar names) not linked" rr_1b5k 1
47 2 50 1 "Not handling restraint 50, item 1, resonance(s) 'EDC1.5.H5' (nmrStar names) not linked" rr_1b5k 1
48 2 51 1 "Not handling restraint 51, item 1, resonance(s) 'EDC1.7.H5' (nmrStar names) not linked" rr_1b5k 1
49 2 52 1 "Not handling restraint 52, item 1, resonance(s) 'EDC2.6.H2*' (nmrStar names) not linked" rr_1b5k 1
50 2 53 1 "Not handling restraint 53, item 1, resonance(s) 'EDC2.5.H8' (nmrStar names) not linked" rr_1b5k 1
51 2 54 1 "Not handling restraint 54, item 1, resonance(s) 'EDC2.6.H2**' (nmrStar names) not linked" rr_1b5k 1
52 2 55 1 "Not handling restraint 55, item 1, resonance(s) 'EDC2.5.H8' (nmrStar names) not linked" rr_1b5k 1
53 2 56 1 "Not handling restraint 56, item 1, resonance(s) 'EDC2.7.H8' (nmrStar names) not linked" rr_1b5k 1
54 2 57 1 "Not handling restraint 57, item 1, resonance(s) 'EDC1.7.H5' (nmrStar names) not linked" rr_1b5k 1
55 2 59 1 "Not handling restraint 59, item 1, resonance(s) 'EDC2.5.H8' (nmrStar names) not linked" rr_1b5k 1
56 2 60 1 "Not handling restraint 60, item 1, resonance(s) 'EDC2.7.H8' (nmrStar names) not linked" rr_1b5k 1
57 2 67 1 "Not handling restraint 67, item 1, resonance(s) 'EDC1.7.H6' (nmrStar names) not linked" rr_1b5k 1
58 2 68 1 "Not handling restraint 68, item 1, resonance(s) 'EDC1.7.H5' (nmrStar names) not linked" rr_1b5k 1
59 2 69 1 "Not handling restraint 69, item 1, resonance(s) 'EDC1.6.H8' (nmrStar names),'EDC1.5.H5' (nmrStar names) not linked" rr_1b5k 1
60 2 70 1 "Not handling restraint 70, item 1, resonance(s) 'EDC1.6.H7' (nmrStar names),'EDC1.5.H5' (nmrStar names) not linked" rr_1b5k 1
61 2 71 1 "Not handling restraint 71, item 1, resonance(s) 'EDC1.7.H6' (nmrStar names) not linked" rr_1b5k 1
62 2 74 1 "Not handling restraint 74, item 1, resonance(s) 'EDC2.7.H8' (nmrStar names),'EDC2.6.H2*' (nmrStar names) not linked" rr_1b5k 1
63 2 75 1 "Not handling restraint 75, item 1, resonance(s) 'EDC1.6.H8' (nmrStar names) not linked" rr_1b5k 1
64 2 77 1 "Not handling restraint 77, item 1, resonance(s) 'EDC1.6.H8' (nmrStar names) not linked" rr_1b5k 1
65 2 80 1 "Not handling restraint 80, item 1, resonance(s) 'EDC1.11.H6' (nmrStar names),'EDC1.11.H5' (nmrStar names) not linked" rr_1b5k 1
66 2 81 1 "Not handling restraint 81, item 1, resonance(s) 'EDC2.10.H6' (nmrStar names),'EDC2.10.H5' (nmrStar names) not linked" rr_1b5k 1
67 2 82 1 "Not handling restraint 82, item 1, resonance(s) 'EDC2.4.H6' (nmrStar names) not linked" rr_1b5k 1
68 2 83 1 "Not handling restraint 83, item 1, resonance(s) 'EDC1.9.H6' (nmrStar names) not linked" rr_1b5k 1
69 2 84 1 "Not handling restraint 84, item 1, resonance(s) 'EDC1.11.H6' (nmrStar names) not linked" rr_1b5k 1
70 2 85 1 "Not handling restraint 85, item 1, resonance(s) 'EDC2.2.H6' (nmrStar names) not linked" rr_1b5k 1
71 2 86 1 "Not handling restraint 86, item 1, resonance(s) 'EDC2.11.H8' (nmrStar names) not linked" rr_1b5k 1
72 2 87 1 "Not handling restraint 87, item 1, resonance(s) 'EDC1.2.H8' (nmrStar names) not linked" rr_1b5k 1
73 2 88 1 "Not handling restraint 88, item 1, resonance(s) 'EDC2.1.H8' (nmrStar names) not linked" rr_1b5k 1
74 2 89 1 "Not handling restraint 89, item 1, resonance(s) 'EDC1.8.H8' (nmrStar names) not linked" rr_1b5k 1
75 2 90 1 "Not handling restraint 90, item 1, resonance(s) 'EDC2.3.H8' (nmrStar names) not linked" rr_1b5k 1
76 2 91 1 "Not handling restraint 91, item 1, resonance(s) 'EDC2.10.H5' (nmrStar names) not linked" rr_1b5k 1
77 2 92 1 "Not handling restraint 92, item 1, resonance(s) 'EDC1.9.H6' (nmrStar names) not linked" rr_1b5k 1
78 2 93 1 "Not handling restraint 93, item 1, resonance(s) 'EDC2.4.H6' (nmrStar names) not linked" rr_1b5k 1
79 2 94 1 "Not handling restraint 94, item 1, resonance(s) 'EDC2.11.H8' (nmrStar names) not linked" rr_1b5k 1
80 2 95 1 "Not handling restraint 95, item 1, resonance(s) 'EDC2.1.H8' (nmrStar names) not linked" rr_1b5k 1
81 2 96 1 "Not handling restraint 96, item 1, resonance(s) 'EDC1.2.H8' (nmrStar names) not linked" rr_1b5k 1
82 2 97 1 "Not handling restraint 97, item 1, resonance(s) 'EDC2.3.H8' (nmrStar names) not linked" rr_1b5k 1
83 2 98 1 "Not handling restraint 98, item 1, resonance(s) 'EDC2.2.H5' (nmrStar names) not linked" rr_1b5k 1
84 2 99 1 "Not handling restraint 99, item 1, resonance(s) 'EDC1.9.H6' (nmrStar names) not linked" rr_1b5k 1
85 2 100 1 "Not handling restraint 100, item 1, resonance(s) 'EDC2.4.H6' (nmrStar names) not linked" rr_1b5k 1
86 2 101 1 "Not handling restraint 101, item 1, resonance(s) 'EDC2.1.H8' (nmrStar names) not linked" rr_1b5k 1
87 2 102 1 "Not handling restraint 102, item 1, resonance(s) 'EDC1.2.H8' (nmrStar names) not linked" rr_1b5k 1
88 2 103 1 "Not handling restraint 103, item 1, resonance(s) 'EDC1.8.H8' (nmrStar names) not linked" rr_1b5k 1
89 2 104 1 "Not handling restraint 104, item 1, resonance(s) 'EDC2.3.H8' (nmrStar names) not linked" rr_1b5k 1
90 2 105 1 "Not handling restraint 105, item 1, resonance(s) 'EDC1.11.H6' (nmrStar names) not linked" rr_1b5k 1
91 2 106 1 "Not handling restraint 106, item 1, resonance(s) 'EDC1.9.H6' (nmrStar names) not linked" rr_1b5k 1
92 2 107 1 "Not handling restraint 107, item 1, resonance(s) 'EDC2.2.H6' (nmrStar names) not linked" rr_1b5k 1
93 2 108 1 "Not handling restraint 108, item 1, resonance(s) 'EDC1.10.H8' (nmrStar names) not linked" rr_1b5k 1
94 2 109 1 "Not handling restraint 109, item 1, resonance(s) 'EDC1.2.H8' (nmrStar names) not linked" rr_1b5k 1
95 2 110 1 "Not handling restraint 110, item 1, resonance(s) 'EDC2.1.H8' (nmrStar names) not linked" rr_1b5k 1
96 2 111 1 "Not handling restraint 111, item 1, resonance(s) 'EDC2.11.H8' (nmrStar names) not linked" rr_1b5k 1
97 2 112 1 "Not handling restraint 112, item 1, resonance(s) 'EDC2.3.H8' (nmrStar names) not linked" rr_1b5k 1
98 2 121 1 "Not handling restraint 121, item 1, resonance(s) 'EDC2.4.H6' (nmrStar names),'EDC2.3.H8' (nmrStar names) not linked" rr_1b5k 1
99 2 122 1 "Not handling restraint 122, item 1, resonance(s) 'EDC2.2.H6' (nmrStar names),'EDC2.3.H8' (nmrStar names) not linked" rr_1b5k 1
100 2 123 1 "Not handling restraint 123, item 1, resonance(s) 'EDC2.2.H6' (nmrStar names),'EDC2.1.H8' (nmrStar names) not linked" rr_1b5k 1
101 2 124 1 "Not handling restraint 124, item 1, resonance(s) 'EDC1.4.H8' (nmrStar names),'EDC1.5.H5' (nmrStar names) not linked" rr_1b5k 1
102 2 125 1 "Not handling restraint 125, item 1, resonance(s) 'EDC2.9.H8' (nmrStar names),'EDC2.10.H5' (nmrStar names) not linked" rr_1b5k 1
103 2 126 1 "Not handling restraint 126, item 1, resonance(s) 'EDC2.1.H8' (nmrStar names),'EDC2.2.H5' (nmrStar names) not linked" rr_1b5k 1
104 2 127 1 "Not handling restraint 127, item 1, resonance(s) 'EDC1.10.H8' (nmrStar names),'EDC1.11.H5' (nmrStar names) not linked" rr_1b5k 1
105 2 128 1 "Not handling restraint 128, item 1, resonance(s) 'EDC1.2.H8' (nmrStar names) not linked" rr_1b5k 1
106 2 129 1 "Not handling restraint 129, item 1, resonance(s) 'EDC1.8.H8' (nmrStar names) not linked" rr_1b5k 1
107 2 130 1 "Not handling restraint 130, item 1, resonance(s) 'EDC2.11.H8' (nmrStar names) not linked" rr_1b5k 1
108 2 131 1 "Not handling restraint 131, item 1, resonance(s) 'EDC2.5.H8' (nmrStar names) not linked" rr_1b5k 1
109 2 132 1 "Not handling restraint 132, item 1, resonance(s) 'EDC2.2.H6' (nmrStar names) not linked" rr_1b5k 1
110 2 133 1 "Not handling restraint 133, item 1, resonance(s) 'EDC1.11.H6' (nmrStar names) not linked" rr_1b5k 1
111 2 134 1 "Not handling restraint 134, item 1, resonance(s) 'EDC1.9.H6' (nmrStar names) not linked" rr_1b5k 1
112 2 135 1 "Not handling restraint 135, item 1, resonance(s) 'EDC2.2.H5' (nmrStar names) not linked" rr_1b5k 1
113 2 136 1 "Not handling restraint 136, item 1, resonance(s) 'EDC2.3.H8' (nmrStar names) not linked" rr_1b5k 1
114 2 137 1 "Not handling restraint 137, item 1, resonance(s) 'EDC2.3.H8' (nmrStar names) not linked" rr_1b5k 1
115 2 138 1 "Not handling restraint 138, item 1, resonance(s) 'EDC1.2.H8' (nmrStar names) not linked" rr_1b5k 1
116 2 139 1 "Not handling restraint 139, item 1, resonance(s) 'EDC2.11.H8' (nmrStar names) not linked" rr_1b5k 1
117 2 140 1 "Not handling restraint 140, item 1, resonance(s) 'EDC1.10.H8' (nmrStar names) not linked" rr_1b5k 1
118 2 141 1 "Not handling restraint 141, item 1, resonance(s) 'EDC2.5.H8' (nmrStar names) not linked" rr_1b5k 1
119 2 142 1 "Not handling restraint 142, item 1, resonance(s) 'EDC2.2.H6' (nmrStar names) not linked" rr_1b5k 1
120 2 143 1 "Not handling restraint 143, item 1, resonance(s) 'EDC1.11.H6' (nmrStar names) not linked" rr_1b5k 1
121 2 144 1 "Not handling restraint 144, item 1, resonance(s) 'EDC1.9.H6' (nmrStar names) not linked" rr_1b5k 1
122 2 145 1 "Not handling restraint 145, item 1, resonance(s) 'EDC2.4.H6' (nmrStar names) not linked" rr_1b5k 1
123 2 146 1 "Not handling restraint 146, item 1, resonance(s) 'EDC2.8.H6' (nmrStar names) not linked" rr_1b5k 1
124 2 147 1 "Not handling restraint 147, item 1, resonance(s) 'EDC2.2.H5' (nmrStar names) not linked" rr_1b5k 1
125 2 148 1 "Not handling restraint 148, item 1, resonance(s) 'EDC1.11.H5' (nmrStar names) not linked" rr_1b5k 1
126 2 149 1 "Not handling restraint 149, item 1, resonance(s) 'EDC1.11.H5' (nmrStar names) not linked" rr_1b5k 1
127 2 150 1 "Not handling restraint 150, item 1, resonance(s) 'EDC2.2.H5' (nmrStar names) not linked" rr_1b5k 1
128 2 151 1 "Not handling restraint 151, item 1, resonance(s) 'EDC2.10.H5' (nmrStar names) not linked" rr_1b5k 1
129 2 152 1 "Not handling restraint 152, item 1, resonance(s) 'EDC1.5.H5' (nmrStar names) not linked" rr_1b5k 1
130 2 153 1 "Not handling restraint 153, item 1, resonance(s) 'EDC1.11.H6' (nmrStar names) not linked" rr_1b5k 1
131 2 154 1 "Not handling restraint 154, item 1, resonance(s) 'EDC2.2.H6' (nmrStar names) not linked" rr_1b5k 1
132 2 155 1 "Not handling restraint 155, item 1, resonance(s) 'EDC1.9.H6' (nmrStar names) not linked" rr_1b5k 1
133 2 156 1 "Not handling restraint 156, item 1, resonance(s) 'EDC2.4.H6' (nmrStar names) not linked" rr_1b5k 1
134 2 157 1 "Not handling restraint 157, item 1, resonance(s) 'EDC2.5.H8' (nmrStar names) not linked" rr_1b5k 1
135 2 158 1 "Not handling restraint 158, item 1, resonance(s) 'EDC1.2.H8' (nmrStar names) not linked" rr_1b5k 1
136 2 159 1 "Not handling restraint 159, item 1, resonance(s) 'EDC2.11.H8' (nmrStar names) not linked" rr_1b5k 1
137 2 160 1 "Not handling restraint 160, item 1, resonance(s) 'EDC2.3.H8' (nmrStar names) not linked" rr_1b5k 1
138 2 161 1 "Not handling restraint 161, item 1, resonance(s) 'EDC1.2.H8' (nmrStar names) not linked" rr_1b5k 1
139 2 162 1 "Not handling restraint 162, item 1, resonance(s) 'EDC2.3.H8' (nmrStar names) not linked" rr_1b5k 1
140 2 163 1 "Not handling restraint 163, item 1, resonance(s) 'EDC1.8.H8' (nmrStar names) not linked" rr_1b5k 1
141 2 164 1 "Not handling restraint 164, item 1, resonance(s) 'EDC2.7.H1' (nmrStar names),'EDC1.6.H5' (nmrStar names) not linked" rr_1b5k 1
142 2 165 1 "Not handling restraint 165, item 1, resonance(s) 'EDC2.7.H1' (nmrStar names) not linked" rr_1b5k 1
143 2 166 1 "Not handling restraint 166, item 1, resonance(s) 'EDC1.6.H7' (nmrStar names),'EDC1.5.H6' (nmrStar names) not linked" rr_1b5k 1
144 2 167 1 "Not handling restraint 167, item 1, resonance(s) 'EDC1.6.H8' (nmrStar names),'EDC1.5.H6' (nmrStar names) not linked" rr_1b5k 1
145 2 168 1 "Not handling restraint 168, item 1, resonance(s) 'EDC1.6.H7' (nmrStar names),'EDC1.7.H5' (nmrStar names) not linked" rr_1b5k 1
146 2 169 1 "Not handling restraint 169, item 1, resonance(s) 'EDC1.6.H8' (nmrStar names),'EDC1.7.H5' (nmrStar names) not linked" rr_1b5k 1
147 2 170 1 "Not handling restraint 170, item 1, resonance(s) 'EDC1.6.H7' (nmrStar names),'EDC1.7.H6' (nmrStar names) not linked" rr_1b5k 1
148 2 171 1 "Not handling restraint 171, item 1, resonance(s) 'EDC1.6.H8' (nmrStar names),'EDC1.7.H6' (nmrStar names) not linked" rr_1b5k 1
149 2 172 1 "Not handling restraint 172, item 1, resonance(s) 'EDC1.5.H5' (nmrStar names) not linked" rr_1b5k 1
150 2 173 1 "Not handling restraint 173, item 1, resonance(s) 'EDC2.5.H8' (nmrStar names) not linked" rr_1b5k 1
151 2 174 1 "Not handling restraint 174, item 1, resonance(s) 'EDC1.6.H8' (nmrStar names),'EDC1.7.H5' (nmrStar names) not linked" rr_1b5k 1
152 2 175 1 "Not handling restraint 175, item 1, resonance(s) 'EDC1.6.H5' (nmrStar names) not linked" rr_1b5k 1
153 2 176 1 "Not handling restraint 176, item 1, resonance(s) 'EDC2.7.H8' (nmrStar names) not linked" rr_1b5k 1
154 2 177 1 "Not handling restraint 177, item 1, resonance(s) 'EDC2.4.H6' (nmrStar names),'EDC2.5.H8' (nmrStar names) not linked" rr_1b5k 1
155 2 178 1 "Not handling restraint 178, item 1, resonance(s) 'EDC1.8.H8' (nmrStar names),'EDC1.9.H6' (nmrStar names) not linked" rr_1b5k 1
156 2 179 1 "Not handling restraint 179, item 1, resonance(s) 'EDC1.3.H6' (nmrStar names),'EDC1.2.H8' (nmrStar names) not linked" rr_1b5k 1
157 2 180 1 "Not handling restraint 180, item 1, resonance(s) 'EDC2.4.H6' (nmrStar names) not linked" rr_1b5k 1
158 2 181 1 "Not handling restraint 181, item 1, resonance(s) 'EDC1.9.H6' (nmrStar names) not linked" rr_1b5k 1
159 2 182 1 "Not handling restraint 182, item 1, resonance(s) 'EDC1.11.H6' (nmrStar names) not linked" rr_1b5k 1
160 2 183 1 "Not handling restraint 183, item 1, resonance(s) 'EDC1.3.H6' (nmrStar names) not linked" rr_1b5k 1
161 2 184 1 "Not handling restraint 184, item 1, resonance(s) 'EDC2.5.H8' (nmrStar names) not linked" rr_1b5k 1
162 2 185 1 "Not handling restraint 185, item 1, resonance(s) 'EDC2.11.H8' (nmrStar names) not linked" rr_1b5k 1
163 2 186 1 "Not handling restraint 186, item 1, resonance(s) 'EDC1.10.H8' (nmrStar names) not linked" rr_1b5k 1
164 2 188 1 "Not handling restraint 188, item 1, resonance(s) 'EDC1.6.H8' (nmrStar names) not linked" rr_1b5k 1
165 2 189 1 "Not handling restraint 189, item 1, resonance(s) 'EDC1.6.H8' (nmrStar names) not linked" rr_1b5k 1
166 2 190 1 "Not handling restraint 190, item 1, resonance(s) 'EDC1.6.N4' (nmrStar names) not linked" rr_1b5k 1
stop_
save_
save_CNS/XPLOR_distance_constraints_4
_Gen_dist_constraint_list.Sf_category general_distance_constraints
_Gen_dist_constraint_list.Sf_framecode CNS/XPLOR_distance_constraints_4
_Gen_dist_constraint_list.Entry_ID rr_1b5k
_Gen_dist_constraint_list.ID 2
_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 4
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_1b5k 2
stop_
loop_
_Gen_dist_constraint_parse_err.ID
_Gen_dist_constraint_parse_err.Content
_Gen_dist_constraint_parse_err.Begin_line
_Gen_dist_constraint_parse_err.Begin_column
_Gen_dist_constraint_parse_err.End_line
_Gen_dist_constraint_parse_err.End_column
_Gen_dist_constraint_parse_err.Entry_ID
_Gen_dist_constraint_parse_err.Gen_dist_constraint_list_ID
1 "assign (( resid 11 and name H5 and segid EDC1 ) or ( resid 11 and name H5 and segid EDC1 )) ( resid 11 and name H2* and segid EDC1 ) 1.430 0.200" 1 1 4 19 rr_1b5k 2
2 "assign (( resid 6 and name H6 and segid EDC1 ) or ( resid 6 and name H6 and segid EDC1 )) (( resid 5 and name H2** and segid EDC1 ) or ( resid 6 and name H2** and segid EDC1 )) 58.900 0.200" 5 1 8 20 rr_1b5k 2
3 "assign (( resid 3 and name H6 and segid EDC1 ) or ( resid 10 and name H6 and segid EDC2 )) (( resid 2 and name H2** and segid EDC1 ) or ( resid 9 and name H2** and segid EDC2 )) 107.000 0.200" 9 1 12 21 rr_1b5k 2
4 "assign ( resid 8 and name H6 and segid EDC2 ) ( resid 7 and name H2** and segid EDC2 ) 92.200 0.200" 13 1 16 20 rr_1b5k 2
5 "assign (( resid 3 and name H6 and segid EDC1 ) or ( resid 10 and name H6 and segid EDC2 )) (( resid 2 and name H2* and segid EDC1 ) or ( resid 9 and name H2* and segid EDC2 )) 85.200 0.200" 17 1 20 20 rr_1b5k 2
6 "assign ( resid 5 and name H6 and segid EDC1 ) ( resid 5 and name H2** and segid EDC1 ) 15.600 0.200" 21 1 24 20 rr_1b5k 2
7 "assign (( resid 8 and name H6 and segid EDC2 ) or ( resid 3 and name H6 and segid EDC1 )) (( resid 8 and name H2** and segid EDC2 ) or ( resid 3 and name H2** and segid EDC1 )) 79.100 0.200" 25 1 28 20 rr_1b5k 2
8 "assign (( resid 8 and name H6 and segid EDC2 ) or ( resid 3 and name H6 and segid EDC1 ) or ( resid 5 and name H6 and segid EDC1 )) (( resid 8 and name H2* and segid EDC2 ) or ( resid 3 and name H2* and segid EDC1 ) or ( resid 5 and name H2* and segid EDC1 )) 457.000 0.200" 29 1 34 21 rr_1b5k 2
9 "assign (( resid 11 and name H6 and segid EDC1 ) or ( resid 11 and name H6 and segid EDC1 )) (( resid 1 and name H2** and segid EDC1 ) or ( resid 11 and name H2* and segid EDC1 )) 156.000 0.200" 35 1 38 21 rr_1b5k 2
10 "assign (( resid 2 and name H6 and segid EDC2 ) or ( resid 7 and name H6 and segid EDC1 )) (( resid 2 and name H2** and segid EDC2 ) or ( resid 6 and name H2** and segid EDC1 )) 106.000 0.200" 39 1 42 21 rr_1b5k 2
11 "assign (( resid 7 and name H6 and segid EDC1 ) or ( resid 7 and name H6 and segid EDC1 )) (( resid 6 and name H2* and segid EDC1 ) or ( resid 7 and name H2** and segid EDC1 )) 63.100 0.200" 43 1 46 20 rr_1b5k 2
12 "assign (( resid 2 and name H6 and segid EDC2 ) or ( resid 7 and name H6 and segid EDC1 )) (( resid 2 and name H2* and segid EDC2 ) or ( resid 7 and name H2* and segid EDC1 )) 360.000 0.200" 47 1 50 21 rr_1b5k 2
13 "assign (( resid 7 and name H8 and segid EDC2 ) or ( resid 10 and name H8 and segid EDC1 ) or ( resid 10 and name H8 and segid EDC1 )) (( resid 7 and name H2* and segid EDC2 ) or ( resid 10 and name H2** and segid EDC1 ) or ( resid 10 and name H2* and segid EDC1 )) 304.000 0.200" 51 1 56 21 rr_1b5k 2
14 "assign (( resid 7 and name H8 and segid EDC2 ) or ( resid 10 and name H8 and segid EDC1 )) (( resid 6 and name H2** and segid EDC2 ) or ( resid 9 and name H2** and segid EDC1 )) 61.000 0.200" 57 1 60 20 rr_1b5k 2
15 "assign (( resid 4 and name H8 and segid EDC1 ) or ( resid 9 and name H8 and segid EDC2 )) (( resid 4 and name H2** and segid EDC1 ) or ( resid 9 and name H2** and segid EDC2 )) 89.300 0.200" 61 1 64 20 rr_1b5k 2
16 "assign (( resid 4 and name H8 and segid EDC1 ) or ( resid 9 and name h8 and segid EDC2 ) or ( resid 8 and name H8 and segid EDC1 )) (( resid 4 and name H3* and segid EDC1 ) or ( resid 9 and name H2* and segid EDC2 ) or ( resid 8 and name H2* and segid EDC1 )) 434.000 0.200" 65 1 70 21 rr_1b5k 2
17 "assign (( resid 9 and name H8 and segid EDC2 ) or ( resid 8 and name H8 and segid EDC1 )) (( resid 8 and name H2* and segid EDC2 ) or ( resid 7 and name H2* and segid EDC1 )) 25.400 0.200" 71 1 74 20 rr_1b5k 2
18 "assign (( resid 6 and name H6 and segid EDC1 ) or ( resid 4 and name H6 and segid EDC2 )) (( resid 6 and name H3* and segid EDC1 ) or ( resid 4 and name H3* and segid EDC2 )) 27.600 0.200" 75 1 78 20 rr_1b5k 2
19 "assign (( resid 8 and name H6 and segid EDC2 ) or ( resid 8 and name H6 and segid EDC2 ) or ( resid 3 and name H6 and segid EDC1 )) (( resid 7 and name H3* and segid EDC2 ) or ( resid 8 and name H3* and segid EDC2 ) or ( resid 3 and name H3* and segid EDC1 )) 32.500 0.200" 79 1 84 20 rr_1b5k 2
20 "assign (( resid 2 and name H6 and segid EDC2 ) or ( resid 7 and name H6 and segid EDC1 ) or ( resid 7 and name H6 and segid EDC1 )) (( resid 1 and name H3* and segid EDC2 ) or ( resid 6 and name H3* and segid EDC1 ) or ( resid 7 and name H3* and segid EDC1 )) 18.900 0.200" 85 1 90 20 rr_1b5k 2
21 "assign (( resid 4 and name H8 and segid EDC1 ) or ( resid 9 and name H8 and segid EDC2 ) or ( resid 8 and name H8 and segid EDC1 )) (( resid 4 and name H3* and segid EDC1 ) or ( resid 9 and name H3* and segid EDC2 ) or ( resid 8 and name H3* and segid EDC1 )) 22.800 0.200" 91 1 96 20 rr_1b5k 2
22 "assign (( resid 8 and name H6 and segid EDC2 ) or ( resid 3 and name H6 and segid EDC1 )) (( resid 7 and name H1* and segid EDC2 ) or ( resid 2 and name H1* and segid EDC1 )) 16.900 0.200" 97 1 100 20 rr_1b5k 2
23 "assign (( resid 8 and name H6 and segid EDC2 ) or ( resid 3 and name H6 and segid EDC1 )) (( resid 8 and name H1* and segid EDC2 ) or ( resid 3 and name H1* and segid EDC1 )) 10.200 0.200" 101 1 104 20 rr_1b5k 2
24 "assign (( resid 5 and name H6 and segid EDC1 ) or ( resid 10 and name H6 and segid EDC2 )) (( resid 4 and name H1* and segid EDC1 ) or ( resid 9 and name H1* and segid EDC2 )) 5.680 0.200" 105 1 108 19 rr_1b5k 2
25 "assign (( resid 2 and name H6 and segid EDC2 ) or ( resid 7 and name H6 and segid EDC1 )) (( resid 2 and name H5 and segid EDC2 ) or ( resid 7 and name H1* and segid EDC1 )) 92.700 0.200" 109 1 112 20 rr_1b5k 2
26 "assign (( resid 7 and name H8 and segid EDC2 ) or ( resid 10 and name H8 and segid EDC1 )) (( resid 7 and name H1* and segid EDC2 ) or ( resid 10 and name H1* and segid EDC1 )) 4.550 0.200" 113 1 116 19 rr_1b5k 2
27 "assign (( resid 7 and name H8 and segid EDC2 ) or ( resid 10 and name H8 and segid EDC1 )) (( resid 6 and name H1* and segid EDC2 ) or ( resid 9 and name H1* and segid EDC1 )) 2.450 0.200" 117 1 120 19 rr_1b5k 2
28 "assign ( resid 11 and name H1* and segid EDC2 ) ( resid 11 and name H2* and segid EDC2 ) 29.000 0.200" 121 1 124 20 rr_1b5k 2
29 "assign ( resid 5 and name H5 and segid EDC1 ) ( resid 4 and name H2** and segid EDC1 ) 8.800 0.200" 125 1 128 19 rr_1b5k 2
30 "assign ( resid 5 and name H5 and segid EDC1 ) ( resid 5 and name H2* and segid EDC1 ) 3.750 0.200" 129 1 132 19 rr_1b5k 2
31 "assign ( resid 11 and name H5 and segid EDC1 ) ( resid 10 and name H2** and segid EDC1 ) 6.150 0.200" 133 1 136 19 rr_1b5k 2
32 "assign ( resid 11 and name H5 and segid EDC1 ) ( resid 10 and name H2* and segid EDC1 ) 5.830 0.200" 137 1 140 19 rr_1b5k 2
33 "assign ( resid 10 and name H5 and segid EDC2 ) ( resid 9 and name H2** and segid EDC2 ) 3.680 0.200" 141 1 144 19 rr_1b5k 2
34 "assign ( resid 10 and name H5 and segid EDC2 ) ( resid 9 and name H2* and segid EDC2 ) 1.750 0.200" 145 1 148 19 rr_1b5k 2
35 "assign ( resid 10 and name H5 and segid EDC2 ) ( resid 10 and name H2* and segid EDC2 ) 3.800 0.200" 149 1 152 19 rr_1b5k 2
36 "assign ( resid 2 and name H5 and segid EDC2 ) ( resid 1 and name H2* and segid EDC2 ) 6.950 0.200" 153 1 156 19 rr_1b5k 2
37 "assign ( resid 2 and name H5 and segid EDC2 ) ( resid 1 and name H2* and segid EDC2 ) 2.170 0.200" 157 1 160 19 rr_1b5k 2
38 "assign ( resid 7 and name H1* and segid EDC1 ) ( resid 7 and name H2** and segid EDC1 ) 80.200 0.200" 161 1 164 20 rr_1b5k 2
39 "assign (( resid 2 and name H5 and segid EDC2 ) or ( resid 7 and name H1* and segid EDC1 )) (( resid 2 and name H2* and segid EDC2 ) or ( resid 7 and name H2* and segid EDC1 )) 25.900 0.200" 165 1 168 20 rr_1b5k 2
40 "assign ( resid 7 and name H5 and segid EDC1 ) ( resid 7 and name H2* and segid EDC1 ) 6.980 0.200" 169 1 172 19 rr_1b5k 2
41 "assign ( resid 10 and name H1* and segid EDC2 ) ( resid 10 and name H2** and segid EDC2 ) 122.000 0.200" 173 1 176 21 rr_1b5k 2
42 "assign ( resid 2 and name H1* and segid EDC2 ) ( resid 2 and name H2** and segid EDC2 ) 111.000 0.200" 177 1 180 21 rr_1b5k 2
43 "assign ( resid 2 and name H1* and segid EDC2 ) ( resid 2 and name H2* and segid EDC2 ) 39.300 0.200" 181 1 184 20 rr_1b5k 2
44 "assign ( resid 10 and name H1* and segid EDC2 ) ( resid 10 and name H2* and segid EDC2 ) 16.400 0.200" 185 1 188 20 rr_1b5k 2
45 "assign ( resid 9 and name H1* and segid EDC1 ) ( resid 9 and name H2* and segid EDC1 ) 13.000 0.200" 189 1 192 20 rr_1b5k 2
46 "assign ( resid 1 and name H1* and segid EDC1 ) ( resid 1 and name H2** and segid EDC1 ) 121.000 0.200" 193 1 196 21 rr_1b5k 2
47 "assign ( resid 1 and name H1* and segid EDC1 ) ( resid 1 and name H2* and segid EDC1 ) 27.700 0.200" 197 1 200 20 rr_1b5k 2
48 "assign ( resid 5 and name H1* and segid EDC1 ) ( resid 5 and name H2** and segid EDC1 ) 114.000 0.200" 201 1 204 21 rr_1b5k 2
49 "assign ( resid 5 and name H1* and segid EDC1 ) ( resid 5 and name H2* and segid EDC1 ) 30.100 0.200" 205 1 208 20 rr_1b5k 2
50 "assign ( resid 6 and name H1* and segid EDC1 ) ( resid 6 and name H2* and segid EDC1 ) 55.700 0.200" 209 1 212 20 rr_1b5k 2
51 "assign ( resid 6 and name H1* and segid EDC1 ) ( resid 6 and name H2** and segid EDC1 ) 118.000 0.200" 213 1 216 21 rr_1b5k 2
52 "assign ( resid 11 and name H1* and segid EDC2 ) ( resid 11 and name H2** and segid EDC2 ) 136.000 0.200" 217 1 220 21 rr_1b5k 2
53 "assign ( resid 7 and name H5 and segid EDC1 ) ( resid 7 and name H3* and segid EDC1 ) 0.072 0.200" 221 1 224 19 rr_1b5k 2
54 "assign ( resid 8 and name H6 and segid EDC2 ) ( resid 7 and name H2* and segid EDC2 ) 19.600 0.200" 225 1 228 20 rr_1b5k 2
55 "assign ( resid 6 and name H6 and segid EDC1 ) ( resid 6 and name H2* and segid EDC1 ) 48.300 0.200" 229 1 232 20 rr_1b5k 2
56 "assign ( resid 4 and name H6 and segid EDC2 ) ( resid 3 and name H2** and segid EDC2 ) 57.600 0.200" 233 1 236 20 rr_1b5k 2
57 "assign ( resid 9 and name H6 and segid EDC1 ) ( resid 8 and name H2** and segid EDC1 ) 56.300 0.200" 237 1 240 20 rr_1b5k 2
58 "assign ( resid 6 and name H8 and segid EDC1 ) ( resid 5 and name H2** and segid EDC1 ) 1.440 0.200" 241 1 244 19 rr_1b5k 2
59 "assign ( resid 6 and name H6 and segid EDC2 ) ( resid 5 and name H2* and segid EDC2 ) 19.500 0.200" 245 1 248 20 rr_1b5k 2
60 "assign ( resid 4 and name H6 and segid EDC2 ) ( resid 3 and name H2* and segid EDC2 ) 23.400 0.200" 249 1 252 20 rr_1b5k 2
61 "assign ( resid 9 and name H6 and segid EDC1 ) ( resid 8 and name H2* and segid EDC1 ) 31.500 0.200" 253 1 256 20 rr_1b5k 2
62 "assign ( resid 6 and name H6 and segid EDC2 ) ( resid 5 and name H2** and segid EDC2 ) 48.100 0.200" 257 1 260 20 rr_1b5k 2
63 "assign ( resid 11 and name H6 and segid EDC1 ) ( resid 10 and name H2* and segid EDC1 ) 28.300 0.200" 261 1 264 20 rr_1b5k 2
64 "assign ( resid 11 and name H6 and segid EDC1 ) ( resid 10 and name H2** and segid EDC1 ) 58.800 0.200" 265 1 268 20 rr_1b5k 2
65 "assign ( resid 2 and name H6 and segid EDC2 ) ( resid 1 and name H2** and segid EDC2 ) 46.400 0.200" 269 1 272 20 rr_1b5k 2
66
;assign ( resid 2 and name H6 and segid EDC2 ) ( resid 1 and name H2* and segid EDC2 ) 24.200 0.200 !assign ( resid 6 and name H8 and segid EDC1 )
! ( resid 6 and name HM# and segid EDC2 )
! 3.660 0.200
;
273 1 280 20 rr_1b5k 2
67 "assign ( resid 6 and name H7 and segid EDC1 ) ( resid 5 and name H2* and segid EDC1 ) 0.272 0.200" 281 1 284 19 rr_1b5k 2
68 "assign ( resid 6 and name H6 and segid EDC2 ) ( resid 6 and name H2** and segid EDC2 ) 28.800 0.200" 285 1 288 20 rr_1b5k 2
69 "assign ( resid 9 and name H6 and segid EDC1 ) ( resid 9 and name H2** and segid EDC1 ) 38.700 0.200" 289 1 292 20 rr_1b5k 2
70 "assign ( resid 4 and name H6 and segid EDC2 ) ( resid 4 and name H2** and segid EDC2 ) 27.300 0.200" 293 1 296 20 rr_1b5k 2
71 "assign ( resid 6 and name H6 and segid EDC1 ) ( resid 5 and name H2* and segid EDC1 ) 6.880 0.200" 297 1 300 19 rr_1b5k 2
72 "assign ( resid 4 and name H6 and segid EDC2 ) ( resid 4 and name H2* and segid EDC2 ) 116.000 0.200" 301 1 304 21 rr_1b5k 2
73 "assign ( resid 9 and name H6 and segid EDC1 ) ( resid 9 and name H2* and segid EDC1 ) 135.000 0.200" 305 1 308 21 rr_1b5k 2
74 "assign ( resid 6 and name H6 and segid EDC2 ) ( resid 6 and name H2* and segid EDC2 ) 97.900 0.200" 309 1 312 20 rr_1b5k 2
75 "assign ( resid 10 and name H6 and segid EDC2 ) ( resid 10 and name H2** and segid EDC2 ) 22.100 0.200" 313 1 316 20 rr_1b5k 2
76
;assign ( resid 10 and name H6 and segid EDC2 ) ( resid 10 and name H2* and segid EDC2 ) 126.000 0.200 !assign ( resid 4 and name H6 and segid EDC2 )
! ( resid 4 and name HM# and segid EDC2 )
! 87.500 0.200 !assign ( resid 9 and name H6 and segid EDC1 )
! ( resid 9 and name HM# and segid EDC1 )
! 79.600 0.200 !assign ( resid 6 and name H6 and segid EDC2 )
! ( resid 6 and name HM# and segid EDC2 )
! 87.200 0.200 !assign ( resid 3 and name H6 and segid EDC1 )
! ( resid 3 and name HM# and segid EDC1 )
! 77.700 0.200 !assign ( resid 8 and name H6 and segid EDC2 )
! ( resid 8 and name HM# and segid EDC2 )
! 66.200 0.200 !assign ( resid 6 and name H7 and segid EDC1 )
! ( resid 6 and name HM# and segid EDC2 )
! 1.550 0.200 !assign ( resid 6 and name H8 and segid EDC1 )
! ( resid 6 and name HM# and segid EDC2 )
! 2.400 0.200
;
317 1 348 20 rr_1b5k 2
77 "assign ( resid 1 and name H6 and segid EDC1 ) ( resid 1 and name H2** and segid EDC1 ) 9.380 0.200" 349 1 352 19 rr_1b5k 2
78 "assign ( resid 1 and name H6 and segid EDC1 ) ( resid 1 and name H2* and segid EDC1 ) 89.400 0.200" 353 1 356 20 rr_1b5k 2
79 "assign ( resid 5 and name H8 and segid EDC2 ) ( resid 5 and name H2** and segid EDC2 ) 45.900 0.200" 357 1 360 20 rr_1b5k 2
80 "assign ( resid 5 and name H8 and segid EDC2 ) ( resid 5 and name H2* and segid EDC2 ) 131.000 0.200" 361 1 364 21 rr_1b5k 2
81 "assign ( resid 7 and name H8 and segid EDC2 ) ( resid 7 and name H2** and segid EDC2 ) 30.000 0.200" 365 1 368 20 rr_1b5k 2
82 "assign ( resid 11 and name H8 and segid EDC2 ) ( resid 11 and name H2** and segid EDC2 ) 118.000 0.200" 369 1 372 21 rr_1b5k 2
83 "assign ( resid 1 and name H8 and segid EDC2 ) ( resid 1 and name H2** and segid EDC2 ) 32.900 0.200" 373 1 376 20 rr_1b5k 2
84 "assign ( resid 1 and name H8 and segid EDC2 ) ( resid 1 and name H2* and segid EDC2 ) 113.000 0.200" 377 1 380 21 rr_1b5k 2
85 "assign ( resid 2 and name H8 and segid EDC1 ) ( resid 2 and name H2** and segid EDC1 ) 46.300 0.200" 381 1 384 20 rr_1b5k 2
86 "assign ( resid 2 and name H8 and segid EDC1 ) ( resid 2 and name H2* and segid EDC1 ) 112.000 0.200" 385 1 388 21 rr_1b5k 2
87 "assign ( resid 5 and name H8 and segid EDC2 ) ( resid 4 and name H2* and segid EDC2 ) 41.800 0.200" 389 1 392 20 rr_1b5k 2
88 "assign ( resid 11 and name H8 and segid EDC2 ) ( resid 10 and name H2** and segid EDC2 ) 17.400 0.200" 393 1 396 20 rr_1b5k 2
89 "assign ( resid 11 and name H8 and segid EDC2 ) ( resid 11 and name H2* and segid EDC2 ) 31.800 0.200" 397 1 400 20 rr_1b5k 2
90 "assign ( resid 2 and name H8 and segid EDC1 ) ( resid 1 and name H2** and segid EDC1 ) 26.900 0.200" 401 1 404 20 rr_1b5k 2
91 "assign ( resid 7 and name H8 and segid EDC2 ) ( resid 6 and name H2* and segid EDC2 ) 15.100 0.200" 405 1 408 20 rr_1b5k 2
92 "assign ( resid 10 and name H8 and segid EDC1 ) ( resid 9 and name H2* and segid EDC1 ) 6.560 0.200" 409 1 412 19 rr_1b5k 2
93 "assign ( resid 5 and name H8 and segid EDC2 ) ( resid 4 and name H2* and segid EDC2 ) 15.600 0.200" 413 1 416 20 rr_1b5k 2
94 "assign ( resid 11 and name H8 and segid EDC2 ) ( resid 10 and name H2* and segid EDC2 ) 14.800 0.200" 417 1 420 20 rr_1b5k 2
95
;assign ( resid 2 and name H8 and segid EDC1 ) ( resid 1 and name H2* and segid EDC1 ) 17.300 0.200 !assign ( resid 7 and name H8 and segid EDC2 )
! ( resid 8 and name HM# and segid EDC2 )
! 28.700 0.200 !assign ( resid 5 and name H8 and segid EDC2 )
! ( resid 6 and name HM# and segid EDC2 )
! 32.800 0.200 !assign ( resid 2 and name H8 and segid EDC1 )
! ( resid 3 and name HM# and segid EDC1 )
! 35.100 0.200
;
421 1 436 21 rr_1b5k 2
96 "assign ( resid 8 and name H8 and segid EDC1 ) ( resid 8 and name H2** and segid EDC1 ) 48.100 0.200" 437 1 440 20 rr_1b5k 2
97 "assign ( resid 3 and name H8 and segid EDC2 ) ( resid 3 and name H2** and segid EDC2 ) 37.400 0.200" 441 1 444 20 rr_1b5k 2
98 "assign ( resid 3 and name H8 and segid EDC2 ) ( resid 3 and name H2* and segid EDC2 ) 156.000 0.200" 445 1 448 21 rr_1b5k 2
99 "assign ( resid 4 and name H8 and segid EDC1 ) ( resid 3 and name H2** and segid EDC1 ) 45.600 0.200" 449 1 452 20 rr_1b5k 2
100 "assign ( resid 9 and name H8 and segid EDC2 ) ( resid 8 and name H2** and segid EDC2 ) 30.300 0.200" 453 1 456 20 rr_1b5k 2
101 "assign ( resid 8 and name H8 and segid EDC1 ) ( resid 7 and name H2** and segid EDC1 ) 17.300 0.200" 457 1 460 20 rr_1b5k 2
102 "assign ( resid 3 and name H8 and segid EDC2 ) ( resid 2 and name H2** and segid EDC2 ) 31.300 0.200" 461 1 464 20 rr_1b5k 2
103 "assign ( resid 4 and name H8 and segid EDC1 ) ( resid 3 and name H2* and segid EDC1 ) 20.800 0.200" 465 1 468 20 rr_1b5k 2
104
;assign ( resid 3 and name H8 and segid EDC2 ) ( resid 2 and name H2* and segid EDC2 ) 18.100 0.200 !assign ( resid 8 and name H8 and segid EDC1 )
! ( resid 9 and name HM# and segid EDC1 )
! 38.900 0.200 !assign ( resid 3 and name H8 and segid EDC2 )
! ( resid 4 and name HM# and segid EDC2 )
! 55.300 0.200
;
469 1 480 21 rr_1b5k 2
105
;assign ( resid 11 and name H6 and segid EDC1 ) ( resid 11 and name H3* and segid EDC1 ) 22.300 0.200 !assign ( resid 9 and name H6 and segid EDC1 )
! ( resid 8 and name H3* and segid EDC1 )
! 0.603 0.200
;
481 1 488 20 rr_1b5k 2
106 "assign ( resid 9 and name H6 and segid EDC1 ) ( resid 9 and name H3* and segid EDC1 ) 16.100 0.200" 489 1 492 20 rr_1b5k 2
107
;assign ( resid 6 and name H6 and segid EDC2 ) ( resid 6 and name H3* and segid EDC2 ) 8.560 0.200 !assign ( resid 11 and name H6 and segid EDC1 )
! ( resid 10 and name H3* and segid EDC1 )
! 1.880 0.200
;
493 1 500 20 rr_1b5k 2
108 "assign ( resid 2 and name H6 and segid EDC2 ) ( resid 2 and name H3* and segid EDC2 ) 2.020 0.200" 501 1 504 19 rr_1b5k 2
109 "assign ( resid 1 and name H6 and segid EDC1 ) ( resid 1 and name H3* and segid EDC1 ) 5.490 0.200" 505 1 508 19 rr_1b5k 2
110 "assign ( resid 5 and name H8 and segid EDC2 ) ( resid 5 and name H3* and segid EDC2 ) 8.690 0.200" 509 1 512 19 rr_1b5k 2
111 "assign ( resid 7 and name H8 and segid EDC2 ) ( resid 7 and name H3* and segid EDC2 ) 2.230 0.200" 513 1 516 19 rr_1b5k 2
112 "assign ( resid 10 and name H8 and segid EDC1 ) ( resid 10 and name H3* and segid EDC1 ) 4.500 0.200" 517 1 520 19 rr_1b5k 2
113 "assign ( resid 11 and name H8 and segid EDC2 ) ( resid 11 and name H3* and segid EDC2 ) 4.990 0.200" 521 1 524 19 rr_1b5k 2
114 "assign ( resid 1 and name H8 and segid EDC2 ) ( resid 1 and name H3* and segid EDC2 ) 2.680 0.200" 525 1 528 19 rr_1b5k 2
115 "assign ( resid 2 and name H8 and segid EDC1 ) ( resid 2 and name H3* and segid EDC1 ) 5.170 0.200" 529 1 532 19 rr_1b5k 2
116 "assign ( resid 2 and name H8 and segid EDC1 ) ( resid 1 and name H3* and segid EDC1 ) 3.290 0.200" 533 1 536 19 rr_1b5k 2
117 "assign ( resid 9 and name H8 and segid EDC2 ) ( resid 8 and name H3* and segid EDC2 ) 0.614 0.200" 537 1 540 19 rr_1b5k 2
118 "assign ( resid 8 and name H8 and segid EDC1 ) ( resid 7 and name H3* and segid EDC1 ) 1.960 0.200" 541 1 544 19 rr_1b5k 2
119 "assign ( resid 3 and name H8 and segid EDC2 ) ( resid 3 and name H3* and segid EDC2 ) 4.110 0.200" 545 1 548 19 rr_1b5k 2
120 "assign ( resid 3 and name H8 and segid EDC2 ) ( resid 2 and name H3* and segid EDC2 ) 3.920 0.200" 549 1 552 19 rr_1b5k 2
121 "assign ( resid 6 and name H8 and segid EDC1 ) ( resid 5 and name H1* and segid EDC1 ) 0.491 0.200" 553 1 556 19 rr_1b5k 2
122 "assign ( resid 6 and name H7 and segid EDC1 ) ( resid 5 and name H5 and segid EDC1 ) 0.295 0.200" 557 1 560 19 rr_1b5k 2
123 "assign ( resid 6 and name H8 and segid EDC1 ) ( resid 5 and name H5 and segid EDC1 ) 0.822 0.200" 561 1 564 19 rr_1b5k 2
124 "assign ( resid 6 and name H6 and segid EDC1 ) ( resid 5 and name H5 and segid EDC1 ) 61.600 0.200" 565 1 568 20 rr_1b5k 2
125 "assign ( resid 6 and name H6 and segid EDC1 ) ( resid 6 and name H1* and segid EDC1 ) 102.000 0.200" 569 1 572 21 rr_1b5k 2
126 "assign ( resid 6 and name H6 and segid EDC1 ) ( resid 5 and name H1* and segid EDC1 ) 0.202 0.200" 573 1 576 19 rr_1b5k 2
127 "assign ( resid 4 and name H6 and segid EDC2 ) ( resid 3 and name H1* and segid EDC2 ) 5.910 0.200" 577 1 580 19 rr_1b5k 2
128 "assign ( resid 4 and name H6 and segid EDC2 ) ( resid 4 and name H1* and segid EDC2 ) 4.650 0.200" 581 1 584 19 rr_1b5k 2
129 "assign ( resid 9 and name H6 and segid EDC1 ) ( resid 8 and name H1* and segid EDC1 ) 6.120 0.200" 585 1 588 19 rr_1b5k 2
130 "assign ( resid 9 and name H6 and segid EDC1 ) ( resid 9 and name H1* and segid EDC1 ) 7.810 0.200" 589 1 592 19 rr_1b5k 2
131 "assign ( resid 6 and name H6 and segid EDC2 ) ( resid 5 and name H1* and segid EDC2 ) 5.980 0.200" 593 1 596 19 rr_1b5k 2
132 "assign ( resid 6 and name H6 and segid EDC2 ) ( resid 6 and name H1* and segid EDC2 ) 12.500 0.200" 597 1 600 20 rr_1b5k 2
133 "assign ( resid 5 and name H6 and segid EDC1 ) ( resid 5 and name H5 and segid EDC1 ) 61.200 0.200" 601 1 604 20 rr_1b5k 2
134 "assign ( resid 10 and name H6 and segid EDC2 ) ( resid 10 and name H5 and segid EDC2 ) 66.300 0.200" 605 1 608 20 rr_1b5k 2
135 "assign ( resid 11 and name H6 and segid EDC1 ) ( resid 11 and name H5 and segid EDC1 ) 81.700 0.200" 609 1 612 20 rr_1b5k 2
136 "assign ( resid 11 and name H6 and segid EDC1 ) ( resid 11 and name H1* and segid EDC1 ) 1.480 0.200" 613 1 616 19 rr_1b5k 2
137 "assign ( resid 11 and name H6 and segid EDC1 ) ( resid 10 and name H1* and segid EDC1 ) 20.700 0.200" 617 1 620 20 rr_1b5k 2
138 "assign ( resid 2 and name H6 and segid EDC2 ) ( resid 1 and name H1* and segid EDC2 ) 15.800 0.200" 621 1 624 20 rr_1b5k 2
139 "assign ( resid 7 and name H6 and segid EDC1 ) ( resid 7 and name H5 and segid EDC1 ) 75.200 0.200" 625 1 628 20 rr_1b5k 2
140 "assign ( resid 1 and name H6 and segid EDC1 ) ( resid 1 and name H5 and segid EDC1 ) 82.600 0.200" 629 1 632 20 rr_1b5k 2
141 "assign ( resid 1 and name H6 and segid EDC1 ) ( resid 1 and name H1* and segid EDC1 ) 16.400 0.200" 633 1 636 20 rr_1b5k 2
142 "assign ( resid 5 and name H8 and segid EDC2 ) ( resid 5 and name H1* and segid EDC2 ) 6.470 0.200" 637 1 640 19 rr_1b5k 2
143 "assign ( resid 11 and name H8 and segid EDC2 ) ( resid 10 and name H1* and segid EDC2 ) 0.850 0.200" 641 1 644 19 rr_1b5k 2
144 "assign ( resid 1 and name H8 and segid EDC2 ) ( resid 2 and name H5 and segid EDC2 ) 0.017 0.200" 645 1 648 19 rr_1b5k 2
145 "assign ( resid 1 and name H8 and segid EDC2 ) ( resid 1 and name H1* and segid EDC2 ) 3.300 0.200" 649 1 652 19 rr_1b5k 2
146 "assign ( resid 2 and name H8 and segid EDC1 ) ( resid 2 and name H1* and segid EDC1 ) 3.590 0.200" 653 1 656 19 rr_1b5k 2
147 "assign ( resid 2 and name H8 and segid EDC1 ) ( resid 1 and name H1* and segid EDC1 ) 2.220 0.200" 657 1 660 19 rr_1b5k 2
148 "assign ( resid 4 and name H8 and segid EDC1 ) ( resid 4 and name H1* and segid EDC1 ) 1.320 0.200" 661 1 664 19 rr_1b5k 2
149 "assign ( resid 4 and name H8 and segid EDC1 ) ( resid 3 and name H1* and segid EDC1 ) 1.570 0.200" 665 1 668 19 rr_1b5k 2
150 "assign ( resid 8 and name H8 and segid EDC1 ) ( resid 8 and name H1* and segid EDC1 ) 1.550 0.200" 669 1 672 19 rr_1b5k 2
151 "assign ( resid 8 and name H8 and segid EDC1 ) ( resid 7 and name H1* and segid EDC1 ) 5.450 0.200" 673 1 676 19 rr_1b5k 2
152 "assign ( resid 3 and name H8 and segid EDC2 ) ( resid 3 and name H1* and segid EDC2 ) 4.610 0.200" 677 1 680 19 rr_1b5k 2
153 "assign ( resid 3 and name H8 and segid EDC2 ) ( resid 2 and name H1* and segid EDC2 ) 10.200 0.200" 681 1 684 20 rr_1b5k 2
154 "assign ( resid 6 and name H8 and segid EDC1 ) ( resid 6 and name H7 and segid EDC1 ) 44.200 0.200" 685 1 688 20 rr_1b5k 2
155
;assign ( resid 7 and name H6 and segid EDC1 ) ( resid 6 and name H6 and segid EDC1 ) 1.400 0.200 !assign ( resid 5 and name H8 and segid EDC2 )
! ( resid 4 and name H6 and segid EDC2 )
! 1.320 0.200
;
689 1 696 20 rr_1b5k 2
stop_
save_
save_CNS/XPLOR_distance_constraints_2_1
_Distance_constraint_list.Sf_category distance_constraints
_Distance_constraint_list.Sf_framecode CNS/XPLOR_distance_constraints_2_1
_Distance_constraint_list.Entry_ID rr_1b5k
_Distance_constraint_list.ID 1
_Distance_constraint_list.Constraint_type NOE
_Distance_constraint_list.Details "Generated by Wattos"
_Distance_constraint_list.Constraint_file_ID 1
_Distance_constraint_list.Block_ID 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_1b5k 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_1b5k 1
2 1 . . . rr_1b5k 1
3 1 . . . rr_1b5k 1
4 1 . . . rr_1b5k 1
5 1 . . . rr_1b5k 1
6 1 . . . rr_1b5k 1
7 1 . . . rr_1b5k 1
8 1 . . . rr_1b5k 1
9 1 . . . rr_1b5k 1
10 1 . . . rr_1b5k 1
11 1 . . . rr_1b5k 1
12 1 . . . rr_1b5k 1
13 1 . . . rr_1b5k 1
14 1 . . . rr_1b5k 1
15 1 . . . rr_1b5k 1
16 1 . . . rr_1b5k 1
17 1 . . . rr_1b5k 1
18 1 . . . rr_1b5k 1
19 1 . . . rr_1b5k 1
20 1 . . . rr_1b5k 1
21 1 . . . rr_1b5k 1
22 1 . . . rr_1b5k 1
23 1 . . . rr_1b5k 1
24 1 . . . rr_1b5k 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 2 2 DC H1' H . . EDC1 . 2 . H1* rr_1b5k 1
1 1 . 2 . 2 2 2 2 DC H3' H . . EDC1 . 2 . H3* rr_1b5k 1
2 1 . 1 . 2 2 6 6 DT H6 H . . EDC1 . 6 . H6 rr_1b5k 1
2 1 . 2 . 2 2 6 6 DT H1' H . . EDC1 . 6 . H1* rr_1b5k 1
3 1 . 1 . 1 1 6 6 EDC H6 H . . EDC2 . 6 . H6 rr_1b5k 1
3 1 . 2 . 1 1 6 6 EDC H1' H . . EDC2 . 6 . H1* rr_1b5k 1
4 1 . 1 . 1 1 6 6 EDC H6 H . . EDC2 . 6 . H6 rr_1b5k 1
4 1 . 2 . 1 1 6 6 EDC H3' H . . EDC2 . 6 . H3* rr_1b5k 1
5 1 . 1 . 2 2 7 7 DG H1' H . . EDC1 . 7 . H1* rr_1b5k 1
5 1 . 2 . 2 2 7 7 DG H2' H . . EDC1 . 7 . H2* rr_1b5k 1
6 1 . 1 . 2 2 5 5 DG H1' H . . EDC1 . 5 . H1* rr_1b5k 1
6 1 . 2 . 2 2 5 5 DG H2' H . . EDC1 . 5 . H2* rr_1b5k 1
7 1 . 1 . 2 2 7 7 DG H1' H . . EDC1 . 7 . H1* rr_1b5k 1
7 1 . 2 . 2 2 7 7 DG H2'' H . . EDC1 . 7 . H2** rr_1b5k 1
8 1 . 1 . 2 2 5 5 DG H1' H . . EDC1 . 5 . H1* rr_1b5k 1
8 1 . 2 . 2 2 5 5 DG H2'' H . . EDC1 . 5 . H2** rr_1b5k 1
9 1 . 1 . 2 2 7 7 DG H1' H . . EDC1 . 7 . H1* rr_1b5k 1
9 1 . 2 . 2 2 7 7 DG H3' H . . EDC1 . 7 . H3* rr_1b5k 1
10 1 . 1 . 2 2 6 6 DT H1' H . . EDC1 . 6 . H1* rr_1b5k 1
10 1 . 2 . 2 2 6 6 DT H3' H . . EDC1 . 6 . H3* rr_1b5k 1
11 1 . 1 . 1 1 6 6 EDC H6 H . . EDC2 . 6 . H6 rr_1b5k 1
11 1 . 2 . 1 1 5 5 DC H1' H . . EDC2 . 5 . H1* rr_1b5k 1
12 1 . 1 . 2 2 6 6 DT H6 H . . EDC1 . 6 . H6 rr_1b5k 1
12 1 . 2 . 2 2 5 5 DG H1' H . . EDC1 . 5 . H1* rr_1b5k 1
13 1 . 1 . 1 1 6 6 EDC H6 H . . EDC2 . 6 . H6 rr_1b5k 1
13 1 . 2 . 1 1 5 5 DC H2' H . . EDC2 . 5 . H2* rr_1b5k 1
14 1 . 1 . 1 1 6 6 EDC H6 H . . EDC2 . 6 . H6 rr_1b5k 1
14 1 . 2 . 1 1 5 5 DC H2'' H . . EDC2 . 5 . H2** rr_1b5k 1
15 1 . 1 . 1 1 6 6 EDC H6 H . . EDC2 . 6 . H6 rr_1b5k 1
15 1 . 2 . 1 1 5 5 DC H3' H . . EDC2 . 5 . H3* rr_1b5k 1
16 1 . 1 . 1 1 2 2 DG H1' H . . EDC2 . 2 . H1* rr_1b5k 1
16 1 . 2 . 1 1 2 2 DG H2' H . . EDC2 . 2 . H2* rr_1b5k 1
17 1 . 1 . 1 1 10 10 DG H1' H . . EDC2 . 10 . H1* rr_1b5k 1
17 1 . 2 . 1 1 10 10 DG H2' H . . EDC2 . 10 . H2* rr_1b5k 1
18 1 . 1 . 2 2 9 9 DA H1' H . . EDC1 . 9 . H1* rr_1b5k 1
18 1 . 2 . 2 2 9 9 DA H2' H . . EDC1 . 9 . H2* rr_1b5k 1
19 1 . 1 . 1 1 11 11 DC H1' H . . EDC2 . 11 . H1* rr_1b5k 1
19 1 . 2 . 1 1 11 11 DC H2' H . . EDC2 . 11 . H2* rr_1b5k 1
20 1 . 1 . 1 1 11 11 DC H1' H . . EDC2 . 11 . H1* rr_1b5k 1
20 1 . 2 . 1 1 11 11 DC H2'' H . . EDC2 . 11 . H2** rr_1b5k 1
21 1 . 1 . 2 2 1 1 DG H1' H . . EDC1 . 1 . H1* rr_1b5k 1
21 1 . 2 . 2 2 1 1 DG H2'' H . . EDC1 . 1 . H2** rr_1b5k 1
22 1 . 1 . 1 1 2 2 DG H1' H . . EDC2 . 2 . H1* rr_1b5k 1
22 1 . 2 . 1 1 2 2 DG H2'' H . . EDC2 . 2 . H2** rr_1b5k 1
23 1 . 1 . 1 1 10 10 DG H1' H . . EDC2 . 10 . H1* rr_1b5k 1
23 1 . 2 . 1 1 10 10 DG H2'' H . . EDC2 . 10 . H2** rr_1b5k 1
24 1 . 1 . 2 2 6 6 DT H6 H . . EDC1 . 6 . H6 rr_1b5k 1
24 1 . 2 . 2 2 5 5 DG H1' H . . EDC1 . 5 . H1* rr_1b5k 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 . . . . . . 4.55 3.75 5.05 rr_1b5k 1
2 1 . . . . . . 2.30 1.80 2.80 rr_1b5k 1
3 1 . . . . . . 3.17 2.67 3.67 rr_1b5k 1
4 1 . . . . . . 3.30 2.80 3.80 rr_1b5k 1
5 1 . . . . . . 2.89 2.39 3.39 rr_1b5k 1
6 1 . . . . . . 2.79 2.29 3.29 rr_1b5k 1
7 1 . . . . . . 2.41 1.91 2.91 rr_1b5k 1
8 1 . . . . . . 2.28 1.78 2.78 rr_1b5k 1
9 1 . . . . . . 3.95 3.45 4.45 rr_1b5k 1
10 1 . . . . . . 3.60 3.10 4.10 rr_1b5k 1
11 1 . . . . . . 3.37 2.87 3.87 rr_1b5k 1
12 1 . . . . . . 4.66 4.16 5.16 rr_1b5k 1
13 1 . . . . . . 3.05 2.55 3.55 rr_1b5k 1
14 1 . . . . . . 2.63 2.13 3.13 rr_1b5k 1
15 1 . . . . . . 4.87 4.37 5.37 rr_1b5k 1
16 1 . . . . . . 2.74 2.24 3.24 rr_1b5k 1
17 1 . . . . . . 3.17 2.67 3.67 rr_1b5k 1
18 1 . . . . . . 3.19 2.69 3.69 rr_1b5k 1
19 1 . . . . . . 2.89 2.39 3.39 rr_1b5k 1
20 1 . . . . . . 2.22 1.72 2.72 rr_1b5k 1
21 1 . . . . . . 2.35 1.85 2.85 rr_1b5k 1
22 1 . . . . . . 2.24 1.74 2.74 rr_1b5k 1
23 1 . . . . . . 2.24 1.74 2.74 rr_1b5k 1
24 1 . . . . . . 4.66 4.16 5.16 rr_1b5k 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
;REMARKS NOE-derived distance file.
-----------------------------------------------------------------
;
1 1 3 67 rr_1b5k 1
2
;-----------------------------------------------------------------
-----------------------------------------------------------------
;
40 1 41 67 rr_1b5k 1
3
;Restraints on base to H3* -- many wereoverlapped, so have
no noe distance defined.
;
42 1 43 33 rr_1b5k 1
4 ----------------------------------------------------------------- 75 1 75 67 rr_1b5k 1
5
;assign ( resid 6 and name H8 and segid EDC1 )
( resid 6 and name HM* and segid EDC2 ) 5.00 0.50 5.00
assign ( resid 6 and name H7 and segid EDC1 )
( resid 6 and name HM* and segid EDC2 ) 5.00 0.50 5.00
;
85 1 89 69 rr_1b5k 1
6
;assign ( resid 1 and name H1* and segid EDC2 )
( resid 1 and name H3* and segid EDC2 ) 5.00 0.50 5.00
;
100 1 101 68 rr_1b5k 1
7
;assign ( resid 6 and name H6 and segid EDC2 )
( resid 6 and name HM* and segid EDC2 ) 2.87 0.50 0.50
;
151 1 152 68 rr_1b5k 1
8
;assign ( resid 5 and name H8 and segid EDC2 )
( resid 6 and name HM* and segid EDC2 ) 3.56 0.50 0.50
;
232 1 233 68 rr_1b5k 1
9
;assign ( resid 4 and name H6 and segid EDC2 )
( resid 4 and name HM* and segid EDC2 ) 2.85 0.50 0.50
assign ( resid 9 and name H6 and segid EDC1 )
( resid 9 and name HM* and segid EDC1 ) 2.91 0.50 0.50
assign ( resid 8 and name H6 and segid EDC2 )
( resid 8 and name HM* and segid EDC2 ) 3.00 0.50 0.50
assign ( resid 3 and name H6 and segid EDC1 )
( resid 3 and name HM* and segid EDC1 ) 2.92 0.50 0.50
;
268 1 278 68 rr_1b5k 1
10
;assign ( resid 11 and name H1* and segid EDC2 )
( resid 11 and name H3* and segid EDC2 ) 5.03 0.50 0.50
;
397 1 398 68 rr_1b5k 1
11
;assign ( resid 3 and name H8 and segid EDC2 )
( resid 4 and name HM* and segid EDC2 ) 3.25 0.50 0.50
assign ( resid 8 and name H8 and segid EDC1 )
( resid 9 and name HM* and segid EDC1 ) 3.29 0.50 0.50
assign ( resid 2 and name H8 and segid EDC1 )
( resid 3 and name HM* and segid EDC1 ) 3.48 0.50 0.50
;
421 1 428 68 rr_1b5k 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 2 1 1 "Not handling restraint 1, item 1, resonance(s) 'EDC2.7.H1' (nmrStar names),'EDC1.6.H7' (nmrStar names) not linked" rr_1b5k 1
2 2 2 1 "Not handling restraint 2, item 1, resonance(s) 'EDC2.7.H1' (nmrStar names),'EDC1.6.H8' (nmrStar names) not linked" rr_1b5k 1
3 2 3 1 "Not handling restraint 3, item 1, resonance(s) 'EDC2.7.H1' (nmrStar names),'EDC1.6.H5' (nmrStar names) not linked" rr_1b5k 1
4 2 4 1 "Not handling restraint 4, item 1, resonance(s) 'EDC2.7.H1' (nmrStar names) not linked" rr_1b5k 1
5 2 5 1 "Not handling restraint 5, item 1, resonance(s) 'EDC1.6.H7' (nmrStar names),'EDC1.5.H6' (nmrStar names) not linked" rr_1b5k 1
6 2 6 1 "Not handling restraint 6, item 1, resonance(s) 'EDC1.6.H8' (nmrStar names),'EDC1.5.H6' (nmrStar names) not linked" rr_1b5k 1
7 2 7 1 "Not handling restraint 7, item 1, resonance(s) 'EDC1.6.H7' (nmrStar names),'EDC1.7.H5' (nmrStar names) not linked" rr_1b5k 1
8 2 8 1 "Not handling restraint 8, item 1, resonance(s) 'EDC1.6.H8' (nmrStar names),'EDC1.7.H5' (nmrStar names) not linked" rr_1b5k 1
9 2 9 1 "Not handling restraint 9, item 1, resonance(s) 'EDC1.6.H7' (nmrStar names),'EDC1.7.H6' (nmrStar names) not linked" rr_1b5k 1
10 2 10 1 "Not handling restraint 10, item 1, resonance(s) 'EDC1.6.H8' (nmrStar names),'EDC1.7.H6' (nmrStar names) not linked" rr_1b5k 1
11 2 11 1 "Not handling restraint 11, item 1, resonance(s) 'EDC1.6.H7' (nmrStar names),'EDC1.5.N4' (nmrStar names) not linked" rr_1b5k 1
12 2 12 1 "Not handling restraint 12, item 1, resonance(s) 'EDC1.6.H8' (nmrStar names),'EDC1.7.N4' (nmrStar names) not linked" rr_1b5k 1
13 2 13 1 "Not handling restraint 13, item 1, resonance(s) 'EDC1.1.H6' (nmrStar names) not linked" rr_1b5k 1
14 2 14 1 "Not handling restraint 14, item 1, resonance(s) 'EDC1.3.H6' (nmrStar names) not linked" rr_1b5k 1
15 2 15 1 "Not handling restraint 15, item 1, resonance(s) 'EDC1.4.H8' (nmrStar names) not linked" rr_1b5k 1
16 2 16 1 "Not handling restraint 16, item 1, resonance(s) 'EDC1.5.H6' (nmrStar names) not linked" rr_1b5k 1
17 2 17 1 "Not handling restraint 17, item 1, resonance(s) 'EDC1.7.H6' (nmrStar names) not linked" rr_1b5k 1
18 2 18 1 "Not handling restraint 18, item 1, resonance(s) 'EDC1.8.H8' (nmrStar names) not linked" rr_1b5k 1
19 2 19 1 "Not handling restraint 19, item 1, resonance(s) 'EDC2.4.H6' (nmrStar names) not linked" rr_1b5k 1
20 2 20 1 "Not handling restraint 20, item 1, resonance(s) 'EDC2.8.H6' (nmrStar names) not linked" rr_1b5k 1
21 2 21 1 "Not handling restraint 21, item 1, resonance(s) 'EDC2.9.H8' (nmrStar names) not linked" rr_1b5k 1
22 2 22 1 "Not handling restraint 22, item 1, resonance(s) 'EDC2.10.H6' (nmrStar names) not linked" rr_1b5k 1
23 2 23 1 "Not handling restraint 23, item 1, resonance(s) 'EDC1.5.H5' (nmrStar names) not linked" rr_1b5k 1
24 2 24 1 "Not handling restraint 24, item 1, resonance(s) 'EDC2.5.H8' (nmrStar names) not linked" rr_1b5k 1
25 2 25 1 "Not handling restraint 25, item 1, resonance(s) 'EDC1.6.H8' (nmrStar names),'EDC1.7.H5' (nmrStar names) not linked" rr_1b5k 1
26 2 26 1 "Not handling restraint 26, item 1, resonance(s) 'EDC1.6.H5' (nmrStar names) not linked" rr_1b5k 1
27 2 27 1 "Not handling restraint 27, item 1, resonance(s) 'EDC2.7.H8' (nmrStar names) not linked" rr_1b5k 1
28 2 28 1 "Not handling restraint 28, item 1, resonance(s) 'EDC2.11.H8' (nmrStar names) not linked" rr_1b5k 1
29 2 30 1 "Not handling restraint 30, item 1, resonance(s) 'EDC2.4.H6' (nmrStar names),'EDC2.5.H8' (nmrStar names) not linked" rr_1b5k 1
30 2 31 1 "Not handling restraint 31, item 1, resonance(s) 'EDC1.8.H8' (nmrStar names),'EDC1.9.H6' (nmrStar names) not linked" rr_1b5k 1
31 2 32 1 "Not handling restraint 32, item 1, resonance(s) 'EDC1.3.H6' (nmrStar names),'EDC1.2.H8' (nmrStar names) not linked" rr_1b5k 1
32 2 33 1 "Not handling restraint 33, item 1, resonance(s) 'EDC1.8.H8' (nmrStar names) not linked" rr_1b5k 1
33 2 34 1 "Not handling restraint 34, item 1, resonance(s) 'EDC2.4.H6' (nmrStar names) not linked" rr_1b5k 1
34 2 35 1 "Not handling restraint 35, item 1, resonance(s) 'EDC1.9.H6' (nmrStar names) not linked" rr_1b5k 1
35 2 36 1 "Not handling restraint 36, item 1, resonance(s) 'EDC1.11.H6' (nmrStar names) not linked" rr_1b5k 1
36 2 37 1 "Not handling restraint 37, item 1, resonance(s) 'EDC1.3.H6' (nmrStar names) not linked" rr_1b5k 1
37 2 38 1 "Not handling restraint 38, item 1, resonance(s) 'EDC2.5.H8' (nmrStar names) not linked" rr_1b5k 1
38 2 39 1 "Not handling restraint 39, item 1, resonance(s) 'EDC2.11.H8' (nmrStar names) not linked" rr_1b5k 1
39 2 40 1 "Not handling restraint 40, item 1, resonance(s) 'EDC1.10.H8' (nmrStar names) not linked" rr_1b5k 1
40 2 41 1 "Not handling restraint 41, item 1, resonance(s) 'EDC1.6.H5' (nmrStar names) not linked" rr_1b5k 1
41 2 42 1 "Not handling restraint 42, item 1, resonance(s) 'EDC1.5.H6' (nmrStar names),'EDC1.5.H5' (nmrStar names) not linked" rr_1b5k 1
42 2 43 1 "Not handling restraint 43, item 1, resonance(s) 'EDC1.7.H5' (nmrStar names),'EDC1.7.H6' (nmrStar names) not linked" rr_1b5k 1
43 2 44 1 "Not handling restraint 44, item 1, resonance(s) 'EDC1.6.H7' (nmrStar names),'EDC1.6.H8' (nmrStar names) not linked" rr_1b5k 1
44 2 45 1 "Not handling restraint 45, item 1, resonance(s) 'EDC1.6.H5' (nmrStar names) not linked" rr_1b5k 1
45 2 47 1 "Not handling restraint 47, item 1, resonance(s) 'EDC1.5.H6' (nmrStar names) not linked" rr_1b5k 1
46 2 49 1 "Not handling restraint 49, item 1, resonance(s) 'EDC2.5.H8' (nmrStar names) not linked" rr_1b5k 1
47 2 50 1 "Not handling restraint 50, item 1, resonance(s) 'EDC1.5.H5' (nmrStar names) not linked" rr_1b5k 1
48 2 51 1 "Not handling restraint 51, item 1, resonance(s) 'EDC1.7.H5' (nmrStar names) not linked" rr_1b5k 1
49 2 52 1 "Not handling restraint 52, item 1, resonance(s) 'EDC2.6.H2*' (nmrStar names) not linked" rr_1b5k 1
50 2 53 1 "Not handling restraint 53, item 1, resonance(s) 'EDC2.5.H8' (nmrStar names) not linked" rr_1b5k 1
51 2 54 1 "Not handling restraint 54, item 1, resonance(s) 'EDC2.6.H2**' (nmrStar names) not linked" rr_1b5k 1
52 2 55 1 "Not handling restraint 55, item 1, resonance(s) 'EDC2.5.H8' (nmrStar names) not linked" rr_1b5k 1
53 2 56 1 "Not handling restraint 56, item 1, resonance(s) 'EDC2.7.H8' (nmrStar names) not linked" rr_1b5k 1
54 2 57 1 "Not handling restraint 57, item 1, resonance(s) 'EDC1.7.H5' (nmrStar names) not linked" rr_1b5k 1
55 2 59 1 "Not handling restraint 59, item 1, resonance(s) 'EDC2.5.H8' (nmrStar names) not linked" rr_1b5k 1
56 2 60 1 "Not handling restraint 60, item 1, resonance(s) 'EDC2.7.H8' (nmrStar names) not linked" rr_1b5k 1
57 2 67 1 "Not handling restraint 67, item 1, resonance(s) 'EDC1.7.H6' (nmrStar names) not linked" rr_1b5k 1
58 2 68 1 "Not handling restraint 68, item 1, resonance(s) 'EDC1.7.H5' (nmrStar names) not linked" rr_1b5k 1
59 2 69 1 "Not handling restraint 69, item 1, resonance(s) 'EDC1.6.H8' (nmrStar names),'EDC1.5.H5' (nmrStar names) not linked" rr_1b5k 1
60 2 70 1 "Not handling restraint 70, item 1, resonance(s) 'EDC1.6.H7' (nmrStar names),'EDC1.5.H5' (nmrStar names) not linked" rr_1b5k 1
61 2 71 1 "Not handling restraint 71, item 1, resonance(s) 'EDC1.7.H6' (nmrStar names) not linked" rr_1b5k 1
62 2 74 1 "Not handling restraint 74, item 1, resonance(s) 'EDC2.7.H8' (nmrStar names),'EDC2.6.H2*' (nmrStar names) not linked" rr_1b5k 1
63 2 75 1 "Not handling restraint 75, item 1, resonance(s) 'EDC1.6.H8' (nmrStar names) not linked" rr_1b5k 1
64 2 77 1 "Not handling restraint 77, item 1, resonance(s) 'EDC1.6.H8' (nmrStar names) not linked" rr_1b5k 1
65 2 80 1 "Not handling restraint 80, item 1, resonance(s) 'EDC1.11.H6' (nmrStar names),'EDC1.11.H5' (nmrStar names) not linked" rr_1b5k 1
66 2 81 1 "Not handling restraint 81, item 1, resonance(s) 'EDC2.10.H6' (nmrStar names),'EDC2.10.H5' (nmrStar names) not linked" rr_1b5k 1
67 2 82 1 "Not handling restraint 82, item 1, resonance(s) 'EDC2.4.H6' (nmrStar names) not linked" rr_1b5k 1
68 2 83 1 "Not handling restraint 83, item 1, resonance(s) 'EDC1.9.H6' (nmrStar names) not linked" rr_1b5k 1
69 2 84 1 "Not handling restraint 84, item 1, resonance(s) 'EDC1.11.H6' (nmrStar names) not linked" rr_1b5k 1
70 2 85 1 "Not handling restraint 85, item 1, resonance(s) 'EDC2.2.H6' (nmrStar names) not linked" rr_1b5k 1
71 2 86 1 "Not handling restraint 86, item 1, resonance(s) 'EDC2.11.H8' (nmrStar names) not linked" rr_1b5k 1
72 2 87 1 "Not handling restraint 87, item 1, resonance(s) 'EDC1.2.H8' (nmrStar names) not linked" rr_1b5k 1
73 2 88 1 "Not handling restraint 88, item 1, resonance(s) 'EDC2.1.H8' (nmrStar names) not linked" rr_1b5k 1
74 2 89 1 "Not handling restraint 89, item 1, resonance(s) 'EDC1.8.H8' (nmrStar names) not linked" rr_1b5k 1
75 2 90 1 "Not handling restraint 90, item 1, resonance(s) 'EDC2.3.H8' (nmrStar names) not linked" rr_1b5k 1
76 2 91 1 "Not handling restraint 91, item 1, resonance(s) 'EDC2.10.H5' (nmrStar names) not linked" rr_1b5k 1
77 2 92 1 "Not handling restraint 92, item 1, resonance(s) 'EDC1.9.H6' (nmrStar names) not linked" rr_1b5k 1
78 2 93 1 "Not handling restraint 93, item 1, resonance(s) 'EDC2.4.H6' (nmrStar names) not linked" rr_1b5k 1
79 2 94 1 "Not handling restraint 94, item 1, resonance(s) 'EDC2.11.H8' (nmrStar names) not linked" rr_1b5k 1
80 2 95 1 "Not handling restraint 95, item 1, resonance(s) 'EDC2.1.H8' (nmrStar names) not linked" rr_1b5k 1
81 2 96 1 "Not handling restraint 96, item 1, resonance(s) 'EDC1.2.H8' (nmrStar names) not linked" rr_1b5k 1
82 2 97 1 "Not handling restraint 97, item 1, resonance(s) 'EDC2.3.H8' (nmrStar names) not linked" rr_1b5k 1
83 2 98 1 "Not handling restraint 98, item 1, resonance(s) 'EDC2.2.H5' (nmrStar names) not linked" rr_1b5k 1
84 2 99 1 "Not handling restraint 99, item 1, resonance(s) 'EDC1.9.H6' (nmrStar names) not linked" rr_1b5k 1
85 2 100 1 "Not handling restraint 100, item 1, resonance(s) 'EDC2.4.H6' (nmrStar names) not linked" rr_1b5k 1
86 2 101 1 "Not handling restraint 101, item 1, resonance(s) 'EDC2.1.H8' (nmrStar names) not linked" rr_1b5k 1
87 2 102 1 "Not handling restraint 102, item 1, resonance(s) 'EDC1.2.H8' (nmrStar names) not linked" rr_1b5k 1
88 2 103 1 "Not handling restraint 103, item 1, resonance(s) 'EDC1.8.H8' (nmrStar names) not linked" rr_1b5k 1
89 2 104 1 "Not handling restraint 104, item 1, resonance(s) 'EDC2.3.H8' (nmrStar names) not linked" rr_1b5k 1
90 2 105 1 "Not handling restraint 105, item 1, resonance(s) 'EDC1.11.H6' (nmrStar names) not linked" rr_1b5k 1
91 2 106 1 "Not handling restraint 106, item 1, resonance(s) 'EDC1.9.H6' (nmrStar names) not linked" rr_1b5k 1
92 2 107 1 "Not handling restraint 107, item 1, resonance(s) 'EDC2.2.H6' (nmrStar names) not linked" rr_1b5k 1
93 2 108 1 "Not handling restraint 108, item 1, resonance(s) 'EDC1.10.H8' (nmrStar names) not linked" rr_1b5k 1
94 2 109 1 "Not handling restraint 109, item 1, resonance(s) 'EDC1.2.H8' (nmrStar names) not linked" rr_1b5k 1
95 2 110 1 "Not handling restraint 110, item 1, resonance(s) 'EDC2.1.H8' (nmrStar names) not linked" rr_1b5k 1
96 2 111 1 "Not handling restraint 111, item 1, resonance(s) 'EDC2.11.H8' (nmrStar names) not linked" rr_1b5k 1
97 2 112 1 "Not handling restraint 112, item 1, resonance(s) 'EDC2.3.H8' (nmrStar names) not linked" rr_1b5k 1
98 2 121 1 "Not handling restraint 121, item 1, resonance(s) 'EDC2.4.H6' (nmrStar names),'EDC2.3.H8' (nmrStar names) not linked" rr_1b5k 1
99 2 122 1 "Not handling restraint 122, item 1, resonance(s) 'EDC2.2.H6' (nmrStar names),'EDC2.3.H8' (nmrStar names) not linked" rr_1b5k 1
100 2 123 1 "Not handling restraint 123, item 1, resonance(s) 'EDC2.2.H6' (nmrStar names),'EDC2.1.H8' (nmrStar names) not linked" rr_1b5k 1
101 2 124 1 "Not handling restraint 124, item 1, resonance(s) 'EDC1.4.H8' (nmrStar names),'EDC1.5.H5' (nmrStar names) not linked" rr_1b5k 1
102 2 125 1 "Not handling restraint 125, item 1, resonance(s) 'EDC2.9.H8' (nmrStar names),'EDC2.10.H5' (nmrStar names) not linked" rr_1b5k 1
103 2 126 1 "Not handling restraint 126, item 1, resonance(s) 'EDC2.1.H8' (nmrStar names),'EDC2.2.H5' (nmrStar names) not linked" rr_1b5k 1
104 2 127 1 "Not handling restraint 127, item 1, resonance(s) 'EDC1.10.H8' (nmrStar names),'EDC1.11.H5' (nmrStar names) not linked" rr_1b5k 1
105 2 128 1 "Not handling restraint 128, item 1, resonance(s) 'EDC1.2.H8' (nmrStar names) not linked" rr_1b5k 1
106 2 129 1 "Not handling restraint 129, item 1, resonance(s) 'EDC1.8.H8' (nmrStar names) not linked" rr_1b5k 1
107 2 130 1 "Not handling restraint 130, item 1, resonance(s) 'EDC2.11.H8' (nmrStar names) not linked" rr_1b5k 1
108 2 131 1 "Not handling restraint 131, item 1, resonance(s) 'EDC2.5.H8' (nmrStar names) not linked" rr_1b5k 1
109 2 132 1 "Not handling restraint 132, item 1, resonance(s) 'EDC2.2.H6' (nmrStar names) not linked" rr_1b5k 1
110 2 133 1 "Not handling restraint 133, item 1, resonance(s) 'EDC1.11.H6' (nmrStar names) not linked" rr_1b5k 1
111 2 134 1 "Not handling restraint 134, item 1, resonance(s) 'EDC1.9.H6' (nmrStar names) not linked" rr_1b5k 1
112 2 135 1 "Not handling restraint 135, item 1, resonance(s) 'EDC2.2.H5' (nmrStar names) not linked" rr_1b5k 1
113 2 136 1 "Not handling restraint 136, item 1, resonance(s) 'EDC2.3.H8' (nmrStar names) not linked" rr_1b5k 1
114 2 137 1 "Not handling restraint 137, item 1, resonance(s) 'EDC2.3.H8' (nmrStar names) not linked" rr_1b5k 1
115 2 138 1 "Not handling restraint 138, item 1, resonance(s) 'EDC1.2.H8' (nmrStar names) not linked" rr_1b5k 1
116 2 139 1 "Not handling restraint 139, item 1, resonance(s) 'EDC2.11.H8' (nmrStar names) not linked" rr_1b5k 1
117 2 140 1 "Not handling restraint 140, item 1, resonance(s) 'EDC1.10.H8' (nmrStar names) not linked" rr_1b5k 1
118 2 141 1 "Not handling restraint 141, item 1, resonance(s) 'EDC2.5.H8' (nmrStar names) not linked" rr_1b5k 1
119 2 142 1 "Not handling restraint 142, item 1, resonance(s) 'EDC2.2.H6' (nmrStar names) not linked" rr_1b5k 1
120 2 143 1 "Not handling restraint 143, item 1, resonance(s) 'EDC1.11.H6' (nmrStar names) not linked" rr_1b5k 1
121 2 144 1 "Not handling restraint 144, item 1, resonance(s) 'EDC1.9.H6' (nmrStar names) not linked" rr_1b5k 1
122 2 145 1 "Not handling restraint 145, item 1, resonance(s) 'EDC2.4.H6' (nmrStar names) not linked" rr_1b5k 1
123 2 146 1 "Not handling restraint 146, item 1, resonance(s) 'EDC2.8.H6' (nmrStar names) not linked" rr_1b5k 1
124 2 147 1 "Not handling restraint 147, item 1, resonance(s) 'EDC2.2.H5' (nmrStar names) not linked" rr_1b5k 1
125 2 148 1 "Not handling restraint 148, item 1, resonance(s) 'EDC1.11.H5' (nmrStar names) not linked" rr_1b5k 1
126 2 149 1 "Not handling restraint 149, item 1, resonance(s) 'EDC1.11.H5' (nmrStar names) not linked" rr_1b5k 1
127 2 150 1 "Not handling restraint 150, item 1, resonance(s) 'EDC2.2.H5' (nmrStar names) not linked" rr_1b5k 1
128 2 151 1 "Not handling restraint 151, item 1, resonance(s) 'EDC2.10.H5' (nmrStar names) not linked" rr_1b5k 1
129 2 152 1 "Not handling restraint 152, item 1, resonance(s) 'EDC1.5.H5' (nmrStar names) not linked" rr_1b5k 1
130 2 153 1 "Not handling restraint 153, item 1, resonance(s) 'EDC1.11.H6' (nmrStar names) not linked" rr_1b5k 1
131 2 154 1 "Not handling restraint 154, item 1, resonance(s) 'EDC2.2.H6' (nmrStar names) not linked" rr_1b5k 1
132 2 155 1 "Not handling restraint 155, item 1, resonance(s) 'EDC1.9.H6' (nmrStar names) not linked" rr_1b5k 1
133 2 156 1 "Not handling restraint 156, item 1, resonance(s) 'EDC2.4.H6' (nmrStar names) not linked" rr_1b5k 1
134 2 157 1 "Not handling restraint 157, item 1, resonance(s) 'EDC2.5.H8' (nmrStar names) not linked" rr_1b5k 1
135 2 158 1 "Not handling restraint 158, item 1, resonance(s) 'EDC1.2.H8' (nmrStar names) not linked" rr_1b5k 1
136 2 159 1 "Not handling restraint 159, item 1, resonance(s) 'EDC2.11.H8' (nmrStar names) not linked" rr_1b5k 1
137 2 160 1 "Not handling restraint 160, item 1, resonance(s) 'EDC2.3.H8' (nmrStar names) not linked" rr_1b5k 1
138 2 161 1 "Not handling restraint 161, item 1, resonance(s) 'EDC1.2.H8' (nmrStar names) not linked" rr_1b5k 1
139 2 162 1 "Not handling restraint 162, item 1, resonance(s) 'EDC2.3.H8' (nmrStar names) not linked" rr_1b5k 1
140 2 163 1 "Not handling restraint 163, item 1, resonance(s) 'EDC1.8.H8' (nmrStar names) not linked" rr_1b5k 1
141 2 164 1 "Not handling restraint 164, item 1, resonance(s) 'EDC2.7.H1' (nmrStar names),'EDC1.6.H5' (nmrStar names) not linked" rr_1b5k 1
142 2 165 1 "Not handling restraint 165, item 1, resonance(s) 'EDC2.7.H1' (nmrStar names) not linked" rr_1b5k 1
143 2 166 1 "Not handling restraint 166, item 1, resonance(s) 'EDC1.6.H7' (nmrStar names),'EDC1.5.H6' (nmrStar names) not linked" rr_1b5k 1
144 2 167 1 "Not handling restraint 167, item 1, resonance(s) 'EDC1.6.H8' (nmrStar names),'EDC1.5.H6' (nmrStar names) not linked" rr_1b5k 1
145 2 168 1 "Not handling restraint 168, item 1, resonance(s) 'EDC1.6.H7' (nmrStar names),'EDC1.7.H5' (nmrStar names) not linked" rr_1b5k 1
146 2 169 1 "Not handling restraint 169, item 1, resonance(s) 'EDC1.6.H8' (nmrStar names),'EDC1.7.H5' (nmrStar names) not linked" rr_1b5k 1
147 2 170 1 "Not handling restraint 170, item 1, resonance(s) 'EDC1.6.H7' (nmrStar names),'EDC1.7.H6' (nmrStar names) not linked" rr_1b5k 1
148 2 171 1 "Not handling restraint 171, item 1, resonance(s) 'EDC1.6.H8' (nmrStar names),'EDC1.7.H6' (nmrStar names) not linked" rr_1b5k 1
149 2 172 1 "Not handling restraint 172, item 1, resonance(s) 'EDC1.5.H5' (nmrStar names) not linked" rr_1b5k 1
150 2 173 1 "Not handling restraint 173, item 1, resonance(s) 'EDC2.5.H8' (nmrStar names) not linked" rr_1b5k 1
151 2 174 1 "Not handling restraint 174, item 1, resonance(s) 'EDC1.6.H8' (nmrStar names),'EDC1.7.H5' (nmrStar names) not linked" rr_1b5k 1
152 2 175 1 "Not handling restraint 175, item 1, resonance(s) 'EDC1.6.H5' (nmrStar names) not linked" rr_1b5k 1
153 2 176 1 "Not handling restraint 176, item 1, resonance(s) 'EDC2.7.H8' (nmrStar names) not linked" rr_1b5k 1
154 2 177 1 "Not handling restraint 177, item 1, resonance(s) 'EDC2.4.H6' (nmrStar names),'EDC2.5.H8' (nmrStar names) not linked" rr_1b5k 1
155 2 178 1 "Not handling restraint 178, item 1, resonance(s) 'EDC1.8.H8' (nmrStar names),'EDC1.9.H6' (nmrStar names) not linked" rr_1b5k 1
156 2 179 1 "Not handling restraint 179, item 1, resonance(s) 'EDC1.3.H6' (nmrStar names),'EDC1.2.H8' (nmrStar names) not linked" rr_1b5k 1
157 2 180 1 "Not handling restraint 180, item 1, resonance(s) 'EDC2.4.H6' (nmrStar names) not linked" rr_1b5k 1
158 2 181 1 "Not handling restraint 181, item 1, resonance(s) 'EDC1.9.H6' (nmrStar names) not linked" rr_1b5k 1
159 2 182 1 "Not handling restraint 182, item 1, resonance(s) 'EDC1.11.H6' (nmrStar names) not linked" rr_1b5k 1
160 2 183 1 "Not handling restraint 183, item 1, resonance(s) 'EDC1.3.H6' (nmrStar names) not linked" rr_1b5k 1
161 2 184 1 "Not handling restraint 184, item 1, resonance(s) 'EDC2.5.H8' (nmrStar names) not linked" rr_1b5k 1
162 2 185 1 "Not handling restraint 185, item 1, resonance(s) 'EDC2.11.H8' (nmrStar names) not linked" rr_1b5k 1
163 2 186 1 "Not handling restraint 186, item 1, resonance(s) 'EDC1.10.H8' (nmrStar names) not linked" rr_1b5k 1
164 2 188 1 "Not handling restraint 188, item 1, resonance(s) 'EDC1.6.H8' (nmrStar names) not linked" rr_1b5k 1
165 2 189 1 "Not handling restraint 189, item 1, resonance(s) 'EDC1.6.H8' (nmrStar names) not linked" rr_1b5k 1
166 2 190 1 "Not handling restraint 190, item 1, resonance(s) 'EDC1.6.N4' (nmrStar names) not linked" rr_1b5k 1
stop_
save_
save_CNS/XPLOR_distance_constraints_4_1
_Distance_constraint_list.Sf_category distance_constraints
_Distance_constraint_list.Sf_framecode CNS/XPLOR_distance_constraints_4_1
_Distance_constraint_list.Entry_ID rr_1b5k
_Distance_constraint_list.ID 2
_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 4
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_1b5k 2
stop_
loop_
_Dist_constraint_parse_err.ID
_Dist_constraint_parse_err.Content
_Dist_constraint_parse_err.Begin_line
_Dist_constraint_parse_err.Begin_column
_Dist_constraint_parse_err.End_line
_Dist_constraint_parse_err.End_column
_Dist_constraint_parse_err.Entry_ID
_Dist_constraint_parse_err.Distance_constraint_list_ID
1 "assign (( resid 11 and name H5 and segid EDC1 ) or ( resid 11 and name H5 and segid EDC1 )) ( resid 11 and name H2* and segid EDC1 ) 1.430 0.200" 1 1 4 19 rr_1b5k 2
2 "assign (( resid 6 and name H6 and segid EDC1 ) or ( resid 6 and name H6 and segid EDC1 )) (( resid 5 and name H2** and segid EDC1 ) or ( resid 6 and name H2** and segid EDC1 )) 58.900 0.200" 5 1 8 20 rr_1b5k 2
3 "assign (( resid 3 and name H6 and segid EDC1 ) or ( resid 10 and name H6 and segid EDC2 )) (( resid 2 and name H2** and segid EDC1 ) or ( resid 9 and name H2** and segid EDC2 )) 107.000 0.200" 9 1 12 21 rr_1b5k 2
4 "assign ( resid 8 and name H6 and segid EDC2 ) ( resid 7 and name H2** and segid EDC2 ) 92.200 0.200" 13 1 16 20 rr_1b5k 2
5 "assign (( resid 3 and name H6 and segid EDC1 ) or ( resid 10 and name H6 and segid EDC2 )) (( resid 2 and name H2* and segid EDC1 ) or ( resid 9 and name H2* and segid EDC2 )) 85.200 0.200" 17 1 20 20 rr_1b5k 2
6 "assign ( resid 5 and name H6 and segid EDC1 ) ( resid 5 and name H2** and segid EDC1 ) 15.600 0.200" 21 1 24 20 rr_1b5k 2
7 "assign (( resid 8 and name H6 and segid EDC2 ) or ( resid 3 and name H6 and segid EDC1 )) (( resid 8 and name H2** and segid EDC2 ) or ( resid 3 and name H2** and segid EDC1 )) 79.100 0.200" 25 1 28 20 rr_1b5k 2
8 "assign (( resid 8 and name H6 and segid EDC2 ) or ( resid 3 and name H6 and segid EDC1 ) or ( resid 5 and name H6 and segid EDC1 )) (( resid 8 and name H2* and segid EDC2 ) or ( resid 3 and name H2* and segid EDC1 ) or ( resid 5 and name H2* and segid EDC1 )) 457.000 0.200" 29 1 34 21 rr_1b5k 2
9 "assign (( resid 11 and name H6 and segid EDC1 ) or ( resid 11 and name H6 and segid EDC1 )) (( resid 1 and name H2** and segid EDC1 ) or ( resid 11 and name H2* and segid EDC1 )) 156.000 0.200" 35 1 38 21 rr_1b5k 2
10 "assign (( resid 2 and name H6 and segid EDC2 ) or ( resid 7 and name H6 and segid EDC1 )) (( resid 2 and name H2** and segid EDC2 ) or ( resid 6 and name H2** and segid EDC1 )) 106.000 0.200" 39 1 42 21 rr_1b5k 2
11 "assign (( resid 7 and name H6 and segid EDC1 ) or ( resid 7 and name H6 and segid EDC1 )) (( resid 6 and name H2* and segid EDC1 ) or ( resid 7 and name H2** and segid EDC1 )) 63.100 0.200" 43 1 46 20 rr_1b5k 2
12 "assign (( resid 2 and name H6 and segid EDC2 ) or ( resid 7 and name H6 and segid EDC1 )) (( resid 2 and name H2* and segid EDC2 ) or ( resid 7 and name H2* and segid EDC1 )) 360.000 0.200" 47 1 50 21 rr_1b5k 2
13 "assign (( resid 7 and name H8 and segid EDC2 ) or ( resid 10 and name H8 and segid EDC1 ) or ( resid 10 and name H8 and segid EDC1 )) (( resid 7 and name H2* and segid EDC2 ) or ( resid 10 and name H2** and segid EDC1 ) or ( resid 10 and name H2* and segid EDC1 )) 304.000 0.200" 51 1 56 21 rr_1b5k 2
14 "assign (( resid 7 and name H8 and segid EDC2 ) or ( resid 10 and name H8 and segid EDC1 )) (( resid 6 and name H2** and segid EDC2 ) or ( resid 9 and name H2** and segid EDC1 )) 61.000 0.200" 57 1 60 20 rr_1b5k 2
15 "assign (( resid 4 and name H8 and segid EDC1 ) or ( resid 9 and name H8 and segid EDC2 )) (( resid 4 and name H2** and segid EDC1 ) or ( resid 9 and name H2** and segid EDC2 )) 89.300 0.200" 61 1 64 20 rr_1b5k 2
16 "assign (( resid 4 and name H8 and segid EDC1 ) or ( resid 9 and name h8 and segid EDC2 ) or ( resid 8 and name H8 and segid EDC1 )) (( resid 4 and name H3* and segid EDC1 ) or ( resid 9 and name H2* and segid EDC2 ) or ( resid 8 and name H2* and segid EDC1 )) 434.000 0.200" 65 1 70 21 rr_1b5k 2
17 "assign (( resid 9 and name H8 and segid EDC2 ) or ( resid 8 and name H8 and segid EDC1 )) (( resid 8 and name H2* and segid EDC2 ) or ( resid 7 and name H2* and segid EDC1 )) 25.400 0.200" 71 1 74 20 rr_1b5k 2
18 "assign (( resid 6 and name H6 and segid EDC1 ) or ( resid 4 and name H6 and segid EDC2 )) (( resid 6 and name H3* and segid EDC1 ) or ( resid 4 and name H3* and segid EDC2 )) 27.600 0.200" 75 1 78 20 rr_1b5k 2
19 "assign (( resid 8 and name H6 and segid EDC2 ) or ( resid 8 and name H6 and segid EDC2 ) or ( resid 3 and name H6 and segid EDC1 )) (( resid 7 and name H3* and segid EDC2 ) or ( resid 8 and name H3* and segid EDC2 ) or ( resid 3 and name H3* and segid EDC1 )) 32.500 0.200" 79 1 84 20 rr_1b5k 2
20 "assign (( resid 2 and name H6 and segid EDC2 ) or ( resid 7 and name H6 and segid EDC1 ) or ( resid 7 and name H6 and segid EDC1 )) (( resid 1 and name H3* and segid EDC2 ) or ( resid 6 and name H3* and segid EDC1 ) or ( resid 7 and name H3* and segid EDC1 )) 18.900 0.200" 85 1 90 20 rr_1b5k 2
21 "assign (( resid 4 and name H8 and segid EDC1 ) or ( resid 9 and name H8 and segid EDC2 ) or ( resid 8 and name H8 and segid EDC1 )) (( resid 4 and name H3* and segid EDC1 ) or ( resid 9 and name H3* and segid EDC2 ) or ( resid 8 and name H3* and segid EDC1 )) 22.800 0.200" 91 1 96 20 rr_1b5k 2
22 "assign (( resid 8 and name H6 and segid EDC2 ) or ( resid 3 and name H6 and segid EDC1 )) (( resid 7 and name H1* and segid EDC2 ) or ( resid 2 and name H1* and segid EDC1 )) 16.900 0.200" 97 1 100 20 rr_1b5k 2
23 "assign (( resid 8 and name H6 and segid EDC2 ) or ( resid 3 and name H6 and segid EDC1 )) (( resid 8 and name H1* and segid EDC2 ) or ( resid 3 and name H1* and segid EDC1 )) 10.200 0.200" 101 1 104 20 rr_1b5k 2
24 "assign (( resid 5 and name H6 and segid EDC1 ) or ( resid 10 and name H6 and segid EDC2 )) (( resid 4 and name H1* and segid EDC1 ) or ( resid 9 and name H1* and segid EDC2 )) 5.680 0.200" 105 1 108 19 rr_1b5k 2
25 "assign (( resid 2 and name H6 and segid EDC2 ) or ( resid 7 and name H6 and segid EDC1 )) (( resid 2 and name H5 and segid EDC2 ) or ( resid 7 and name H1* and segid EDC1 )) 92.700 0.200" 109 1 112 20 rr_1b5k 2
26 "assign (( resid 7 and name H8 and segid EDC2 ) or ( resid 10 and name H8 and segid EDC1 )) (( resid 7 and name H1* and segid EDC2 ) or ( resid 10 and name H1* and segid EDC1 )) 4.550 0.200" 113 1 116 19 rr_1b5k 2
27 "assign (( resid 7 and name H8 and segid EDC2 ) or ( resid 10 and name H8 and segid EDC1 )) (( resid 6 and name H1* and segid EDC2 ) or ( resid 9 and name H1* and segid EDC1 )) 2.450 0.200" 117 1 120 19 rr_1b5k 2
28 "assign ( resid 11 and name H1* and segid EDC2 ) ( resid 11 and name H2* and segid EDC2 ) 29.000 0.200" 121 1 124 20 rr_1b5k 2
29 "assign ( resid 5 and name H5 and segid EDC1 ) ( resid 4 and name H2** and segid EDC1 ) 8.800 0.200" 125 1 128 19 rr_1b5k 2
30 "assign ( resid 5 and name H5 and segid EDC1 ) ( resid 5 and name H2* and segid EDC1 ) 3.750 0.200" 129 1 132 19 rr_1b5k 2
31 "assign ( resid 11 and name H5 and segid EDC1 ) ( resid 10 and name H2** and segid EDC1 ) 6.150 0.200" 133 1 136 19 rr_1b5k 2
32 "assign ( resid 11 and name H5 and segid EDC1 ) ( resid 10 and name H2* and segid EDC1 ) 5.830 0.200" 137 1 140 19 rr_1b5k 2
33 "assign ( resid 10 and name H5 and segid EDC2 ) ( resid 9 and name H2** and segid EDC2 ) 3.680 0.200" 141 1 144 19 rr_1b5k 2
34 "assign ( resid 10 and name H5 and segid EDC2 ) ( resid 9 and name H2* and segid EDC2 ) 1.750 0.200" 145 1 148 19 rr_1b5k 2
35 "assign ( resid 10 and name H5 and segid EDC2 ) ( resid 10 and name H2* and segid EDC2 ) 3.800 0.200" 149 1 152 19 rr_1b5k 2
36 "assign ( resid 2 and name H5 and segid EDC2 ) ( resid 1 and name H2* and segid EDC2 ) 6.950 0.200" 153 1 156 19 rr_1b5k 2
37 "assign ( resid 2 and name H5 and segid EDC2 ) ( resid 1 and name H2* and segid EDC2 ) 2.170 0.200" 157 1 160 19 rr_1b5k 2
38 "assign ( resid 7 and name H1* and segid EDC1 ) ( resid 7 and name H2** and segid EDC1 ) 80.200 0.200" 161 1 164 20 rr_1b5k 2
39 "assign (( resid 2 and name H5 and segid EDC2 ) or ( resid 7 and name H1* and segid EDC1 )) (( resid 2 and name H2* and segid EDC2 ) or ( resid 7 and name H2* and segid EDC1 )) 25.900 0.200" 165 1 168 20 rr_1b5k 2
40 "assign ( resid 7 and name H5 and segid EDC1 ) ( resid 7 and name H2* and segid EDC1 ) 6.980 0.200" 169 1 172 19 rr_1b5k 2
41 "assign ( resid 10 and name H1* and segid EDC2 ) ( resid 10 and name H2** and segid EDC2 ) 122.000 0.200" 173 1 176 21 rr_1b5k 2
42 "assign ( resid 2 and name H1* and segid EDC2 ) ( resid 2 and name H2** and segid EDC2 ) 111.000 0.200" 177 1 180 21 rr_1b5k 2
43 "assign ( resid 2 and name H1* and segid EDC2 ) ( resid 2 and name H2* and segid EDC2 ) 39.300 0.200" 181 1 184 20 rr_1b5k 2
44 "assign ( resid 10 and name H1* and segid EDC2 ) ( resid 10 and name H2* and segid EDC2 ) 16.400 0.200" 185 1 188 20 rr_1b5k 2
45 "assign ( resid 9 and name H1* and segid EDC1 ) ( resid 9 and name H2* and segid EDC1 ) 13.000 0.200" 189 1 192 20 rr_1b5k 2
46 "assign ( resid 1 and name H1* and segid EDC1 ) ( resid 1 and name H2** and segid EDC1 ) 121.000 0.200" 193 1 196 21 rr_1b5k 2
47 "assign ( resid 1 and name H1* and segid EDC1 ) ( resid 1 and name H2* and segid EDC1 ) 27.700 0.200" 197 1 200 20 rr_1b5k 2
48 "assign ( resid 5 and name H1* and segid EDC1 ) ( resid 5 and name H2** and segid EDC1 ) 114.000 0.200" 201 1 204 21 rr_1b5k 2
49 "assign ( resid 5 and name H1* and segid EDC1 ) ( resid 5 and name H2* and segid EDC1 ) 30.100 0.200" 205 1 208 20 rr_1b5k 2
50 "assign ( resid 6 and name H1* and segid EDC1 ) ( resid 6 and name H2* and segid EDC1 ) 55.700 0.200" 209 1 212 20 rr_1b5k 2
51 "assign ( resid 6 and name H1* and segid EDC1 ) ( resid 6 and name H2** and segid EDC1 ) 118.000 0.200" 213 1 216 21 rr_1b5k 2
52 "assign ( resid 11 and name H1* and segid EDC2 ) ( resid 11 and name H2** and segid EDC2 ) 136.000 0.200" 217 1 220 21 rr_1b5k 2
53 "assign ( resid 7 and name H5 and segid EDC1 ) ( resid 7 and name H3* and segid EDC1 ) 0.072 0.200" 221 1 224 19 rr_1b5k 2
54 "assign ( resid 8 and name H6 and segid EDC2 ) ( resid 7 and name H2* and segid EDC2 ) 19.600 0.200" 225 1 228 20 rr_1b5k 2
55 "assign ( resid 6 and name H6 and segid EDC1 ) ( resid 6 and name H2* and segid EDC1 ) 48.300 0.200" 229 1 232 20 rr_1b5k 2
56 "assign ( resid 4 and name H6 and segid EDC2 ) ( resid 3 and name H2** and segid EDC2 ) 57.600 0.200" 233 1 236 20 rr_1b5k 2
57 "assign ( resid 9 and name H6 and segid EDC1 ) ( resid 8 and name H2** and segid EDC1 ) 56.300 0.200" 237 1 240 20 rr_1b5k 2
58 "assign ( resid 6 and name H8 and segid EDC1 ) ( resid 5 and name H2** and segid EDC1 ) 1.440 0.200" 241 1 244 19 rr_1b5k 2
59 "assign ( resid 6 and name H6 and segid EDC2 ) ( resid 5 and name H2* and segid EDC2 ) 19.500 0.200" 245 1 248 20 rr_1b5k 2
60 "assign ( resid 4 and name H6 and segid EDC2 ) ( resid 3 and name H2* and segid EDC2 ) 23.400 0.200" 249 1 252 20 rr_1b5k 2
61 "assign ( resid 9 and name H6 and segid EDC1 ) ( resid 8 and name H2* and segid EDC1 ) 31.500 0.200" 253 1 256 20 rr_1b5k 2
62 "assign ( resid 6 and name H6 and segid EDC2 ) ( resid 5 and name H2** and segid EDC2 ) 48.100 0.200" 257 1 260 20 rr_1b5k 2
63 "assign ( resid 11 and name H6 and segid EDC1 ) ( resid 10 and name H2* and segid EDC1 ) 28.300 0.200" 261 1 264 20 rr_1b5k 2
64 "assign ( resid 11 and name H6 and segid EDC1 ) ( resid 10 and name H2** and segid EDC1 ) 58.800 0.200" 265 1 268 20 rr_1b5k 2
65 "assign ( resid 2 and name H6 and segid EDC2 ) ( resid 1 and name H2** and segid EDC2 ) 46.400 0.200" 269 1 272 20 rr_1b5k 2
66
;assign ( resid 2 and name H6 and segid EDC2 ) ( resid 1 and name H2* and segid EDC2 ) 24.200 0.200 !assign ( resid 6 and name H8 and segid EDC1 )
! ( resid 6 and name HM# and segid EDC2 )
! 3.660 0.200
;
273 1 280 20 rr_1b5k 2
67 "assign ( resid 6 and name H7 and segid EDC1 ) ( resid 5 and name H2* and segid EDC1 ) 0.272 0.200" 281 1 284 19 rr_1b5k 2
68 "assign ( resid 6 and name H6 and segid EDC2 ) ( resid 6 and name H2** and segid EDC2 ) 28.800 0.200" 285 1 288 20 rr_1b5k 2
69 "assign ( resid 9 and name H6 and segid EDC1 ) ( resid 9 and name H2** and segid EDC1 ) 38.700 0.200" 289 1 292 20 rr_1b5k 2
70 "assign ( resid 4 and name H6 and segid EDC2 ) ( resid 4 and name H2** and segid EDC2 ) 27.300 0.200" 293 1 296 20 rr_1b5k 2
71 "assign ( resid 6 and name H6 and segid EDC1 ) ( resid 5 and name H2* and segid EDC1 ) 6.880 0.200" 297 1 300 19 rr_1b5k 2
72 "assign ( resid 4 and name H6 and segid EDC2 ) ( resid 4 and name H2* and segid EDC2 ) 116.000 0.200" 301 1 304 21 rr_1b5k 2
73 "assign ( resid 9 and name H6 and segid EDC1 ) ( resid 9 and name H2* and segid EDC1 ) 135.000 0.200" 305 1 308 21 rr_1b5k 2
74 "assign ( resid 6 and name H6 and segid EDC2 ) ( resid 6 and name H2* and segid EDC2 ) 97.900 0.200" 309 1 312 20 rr_1b5k 2
75 "assign ( resid 10 and name H6 and segid EDC2 ) ( resid 10 and name H2** and segid EDC2 ) 22.100 0.200" 313 1 316 20 rr_1b5k 2
76
;assign ( resid 10 and name H6 and segid EDC2 ) ( resid 10 and name H2* and segid EDC2 ) 126.000 0.200 !assign ( resid 4 and name H6 and segid EDC2 )
! ( resid 4 and name HM# and segid EDC2 )
! 87.500 0.200 !assign ( resid 9 and name H6 and segid EDC1 )
! ( resid 9 and name HM# and segid EDC1 )
! 79.600 0.200 !assign ( resid 6 and name H6 and segid EDC2 )
! ( resid 6 and name HM# and segid EDC2 )
! 87.200 0.200 !assign ( resid 3 and name H6 and segid EDC1 )
! ( resid 3 and name HM# and segid EDC1 )
! 77.700 0.200 !assign ( resid 8 and name H6 and segid EDC2 )
! ( resid 8 and name HM# and segid EDC2 )
! 66.200 0.200 !assign ( resid 6 and name H7 and segid EDC1 )
! ( resid 6 and name HM# and segid EDC2 )
! 1.550 0.200 !assign ( resid 6 and name H8 and segid EDC1 )
! ( resid 6 and name HM# and segid EDC2 )
! 2.400 0.200
;
317 1 348 20 rr_1b5k 2
77 "assign ( resid 1 and name H6 and segid EDC1 ) ( resid 1 and name H2** and segid EDC1 ) 9.380 0.200" 349 1 352 19 rr_1b5k 2
78 "assign ( resid 1 and name H6 and segid EDC1 ) ( resid 1 and name H2* and segid EDC1 ) 89.400 0.200" 353 1 356 20 rr_1b5k 2
79 "assign ( resid 5 and name H8 and segid EDC2 ) ( resid 5 and name H2** and segid EDC2 ) 45.900 0.200" 357 1 360 20 rr_1b5k 2
80 "assign ( resid 5 and name H8 and segid EDC2 ) ( resid 5 and name H2* and segid EDC2 ) 131.000 0.200" 361 1 364 21 rr_1b5k 2
81 "assign ( resid 7 and name H8 and segid EDC2 ) ( resid 7 and name H2** and segid EDC2 ) 30.000 0.200" 365 1 368 20 rr_1b5k 2
82 "assign ( resid 11 and name H8 and segid EDC2 ) ( resid 11 and name H2** and segid EDC2 ) 118.000 0.200" 369 1 372 21 rr_1b5k 2
83 "assign ( resid 1 and name H8 and segid EDC2 ) ( resid 1 and name H2** and segid EDC2 ) 32.900 0.200" 373 1 376 20 rr_1b5k 2
84 "assign ( resid 1 and name H8 and segid EDC2 ) ( resid 1 and name H2* and segid EDC2 ) 113.000 0.200" 377 1 380 21 rr_1b5k 2
85 "assign ( resid 2 and name H8 and segid EDC1 ) ( resid 2 and name H2** and segid EDC1 ) 46.300 0.200" 381 1 384 20 rr_1b5k 2
86 "assign ( resid 2 and name H8 and segid EDC1 ) ( resid 2 and name H2* and segid EDC1 ) 112.000 0.200" 385 1 388 21 rr_1b5k 2
87 "assign ( resid 5 and name H8 and segid EDC2 ) ( resid 4 and name H2* and segid EDC2 ) 41.800 0.200" 389 1 392 20 rr_1b5k 2
88 "assign ( resid 11 and name H8 and segid EDC2 ) ( resid 10 and name H2** and segid EDC2 ) 17.400 0.200" 393 1 396 20 rr_1b5k 2
89 "assign ( resid 11 and name H8 and segid EDC2 ) ( resid 11 and name H2* and segid EDC2 ) 31.800 0.200" 397 1 400 20 rr_1b5k 2
90 "assign ( resid 2 and name H8 and segid EDC1 ) ( resid 1 and name H2** and segid EDC1 ) 26.900 0.200" 401 1 404 20 rr_1b5k 2
91 "assign ( resid 7 and name H8 and segid EDC2 ) ( resid 6 and name H2* and segid EDC2 ) 15.100 0.200" 405 1 408 20 rr_1b5k 2
92 "assign ( resid 10 and name H8 and segid EDC1 ) ( resid 9 and name H2* and segid EDC1 ) 6.560 0.200" 409 1 412 19 rr_1b5k 2
93 "assign ( resid 5 and name H8 and segid EDC2 ) ( resid 4 and name H2* and segid EDC2 ) 15.600 0.200" 413 1 416 20 rr_1b5k 2
94 "assign ( resid 11 and name H8 and segid EDC2 ) ( resid 10 and name H2* and segid EDC2 ) 14.800 0.200" 417 1 420 20 rr_1b5k 2
95
;assign ( resid 2 and name H8 and segid EDC1 ) ( resid 1 and name H2* and segid EDC1 ) 17.300 0.200 !assign ( resid 7 and name H8 and segid EDC2 )
! ( resid 8 and name HM# and segid EDC2 )
! 28.700 0.200 !assign ( resid 5 and name H8 and segid EDC2 )
! ( resid 6 and name HM# and segid EDC2 )
! 32.800 0.200 !assign ( resid 2 and name H8 and segid EDC1 )
! ( resid 3 and name HM# and segid EDC1 )
! 35.100 0.200
;
421 1 436 21 rr_1b5k 2
96 "assign ( resid 8 and name H8 and segid EDC1 ) ( resid 8 and name H2** and segid EDC1 ) 48.100 0.200" 437 1 440 20 rr_1b5k 2
97 "assign ( resid 3 and name H8 and segid EDC2 ) ( resid 3 and name H2** and segid EDC2 ) 37.400 0.200" 441 1 444 20 rr_1b5k 2
98 "assign ( resid 3 and name H8 and segid EDC2 ) ( resid 3 and name H2* and segid EDC2 ) 156.000 0.200" 445 1 448 21 rr_1b5k 2
99 "assign ( resid 4 and name H8 and segid EDC1 ) ( resid 3 and name H2** and segid EDC1 ) 45.600 0.200" 449 1 452 20 rr_1b5k 2
100 "assign ( resid 9 and name H8 and segid EDC2 ) ( resid 8 and name H2** and segid EDC2 ) 30.300 0.200" 453 1 456 20 rr_1b5k 2
101 "assign ( resid 8 and name H8 and segid EDC1 ) ( resid 7 and name H2** and segid EDC1 ) 17.300 0.200" 457 1 460 20 rr_1b5k 2
102 "assign ( resid 3 and name H8 and segid EDC2 ) ( resid 2 and name H2** and segid EDC2 ) 31.300 0.200" 461 1 464 20 rr_1b5k 2
103 "assign ( resid 4 and name H8 and segid EDC1 ) ( resid 3 and name H2* and segid EDC1 ) 20.800 0.200" 465 1 468 20 rr_1b5k 2
104
;assign ( resid 3 and name H8 and segid EDC2 ) ( resid 2 and name H2* and segid EDC2 ) 18.100 0.200 !assign ( resid 8 and name H8 and segid EDC1 )
! ( resid 9 and name HM# and segid EDC1 )
! 38.900 0.200 !assign ( resid 3 and name H8 and segid EDC2 )
! ( resid 4 and name HM# and segid EDC2 )
! 55.300 0.200
;
469 1 480 21 rr_1b5k 2
105
;assign ( resid 11 and name H6 and segid EDC1 ) ( resid 11 and name H3* and segid EDC1 ) 22.300 0.200 !assign ( resid 9 and name H6 and segid EDC1 )
! ( resid 8 and name H3* and segid EDC1 )
! 0.603 0.200
;
481 1 488 20 rr_1b5k 2
106 "assign ( resid 9 and name H6 and segid EDC1 ) ( resid 9 and name H3* and segid EDC1 ) 16.100 0.200" 489 1 492 20 rr_1b5k 2
107
;assign ( resid 6 and name H6 and segid EDC2 ) ( resid 6 and name H3* and segid EDC2 ) 8.560 0.200 !assign ( resid 11 and name H6 and segid EDC1 )
! ( resid 10 and name H3* and segid EDC1 )
! 1.880 0.200
;
493 1 500 20 rr_1b5k 2
108 "assign ( resid 2 and name H6 and segid EDC2 ) ( resid 2 and name H3* and segid EDC2 ) 2.020 0.200" 501 1 504 19 rr_1b5k 2
109 "assign ( resid 1 and name H6 and segid EDC1 ) ( resid 1 and name H3* and segid EDC1 ) 5.490 0.200" 505 1 508 19 rr_1b5k 2
110 "assign ( resid 5 and name H8 and segid EDC2 ) ( resid 5 and name H3* and segid EDC2 ) 8.690 0.200" 509 1 512 19 rr_1b5k 2
111 "assign ( resid 7 and name H8 and segid EDC2 ) ( resid 7 and name H3* and segid EDC2 ) 2.230 0.200" 513 1 516 19 rr_1b5k 2
112 "assign ( resid 10 and name H8 and segid EDC1 ) ( resid 10 and name H3* and segid EDC1 ) 4.500 0.200" 517 1 520 19 rr_1b5k 2
113 "assign ( resid 11 and name H8 and segid EDC2 ) ( resid 11 and name H3* and segid EDC2 ) 4.990 0.200" 521 1 524 19 rr_1b5k 2
114 "assign ( resid 1 and name H8 and segid EDC2 ) ( resid 1 and name H3* and segid EDC2 ) 2.680 0.200" 525 1 528 19 rr_1b5k 2
115 "assign ( resid 2 and name H8 and segid EDC1 ) ( resid 2 and name H3* and segid EDC1 ) 5.170 0.200" 529 1 532 19 rr_1b5k 2
116 "assign ( resid 2 and name H8 and segid EDC1 ) ( resid 1 and name H3* and segid EDC1 ) 3.290 0.200" 533 1 536 19 rr_1b5k 2
117 "assign ( resid 9 and name H8 and segid EDC2 ) ( resid 8 and name H3* and segid EDC2 ) 0.614 0.200" 537 1 540 19 rr_1b5k 2
118 "assign ( resid 8 and name H8 and segid EDC1 ) ( resid 7 and name H3* and segid EDC1 ) 1.960 0.200" 541 1 544 19 rr_1b5k 2
119 "assign ( resid 3 and name H8 and segid EDC2 ) ( resid 3 and name H3* and segid EDC2 ) 4.110 0.200" 545 1 548 19 rr_1b5k 2
120 "assign ( resid 3 and name H8 and segid EDC2 ) ( resid 2 and name H3* and segid EDC2 ) 3.920 0.200" 549 1 552 19 rr_1b5k 2
121 "assign ( resid 6 and name H8 and segid EDC1 ) ( resid 5 and name H1* and segid EDC1 ) 0.491 0.200" 553 1 556 19 rr_1b5k 2
122 "assign ( resid 6 and name H7 and segid EDC1 ) ( resid 5 and name H5 and segid EDC1 ) 0.295 0.200" 557 1 560 19 rr_1b5k 2
123 "assign ( resid 6 and name H8 and segid EDC1 ) ( resid 5 and name H5 and segid EDC1 ) 0.822 0.200" 561 1 564 19 rr_1b5k 2
124 "assign ( resid 6 and name H6 and segid EDC1 ) ( resid 5 and name H5 and segid EDC1 ) 61.600 0.200" 565 1 568 20 rr_1b5k 2
125 "assign ( resid 6 and name H6 and segid EDC1 ) ( resid 6 and name H1* and segid EDC1 ) 102.000 0.200" 569 1 572 21 rr_1b5k 2
126 "assign ( resid 6 and name H6 and segid EDC1 ) ( resid 5 and name H1* and segid EDC1 ) 0.202 0.200" 573 1 576 19 rr_1b5k 2
127 "assign ( resid 4 and name H6 and segid EDC2 ) ( resid 3 and name H1* and segid EDC2 ) 5.910 0.200" 577 1 580 19 rr_1b5k 2
128 "assign ( resid 4 and name H6 and segid EDC2 ) ( resid 4 and name H1* and segid EDC2 ) 4.650 0.200" 581 1 584 19 rr_1b5k 2
129 "assign ( resid 9 and name H6 and segid EDC1 ) ( resid 8 and name H1* and segid EDC1 ) 6.120 0.200" 585 1 588 19 rr_1b5k 2
130 "assign ( resid 9 and name H6 and segid EDC1 ) ( resid 9 and name H1* and segid EDC1 ) 7.810 0.200" 589 1 592 19 rr_1b5k 2
131 "assign ( resid 6 and name H6 and segid EDC2 ) ( resid 5 and name H1* and segid EDC2 ) 5.980 0.200" 593 1 596 19 rr_1b5k 2
132 "assign ( resid 6 and name H6 and segid EDC2 ) ( resid 6 and name H1* and segid EDC2 ) 12.500 0.200" 597 1 600 20 rr_1b5k 2
133 "assign ( resid 5 and name H6 and segid EDC1 ) ( resid 5 and name H5 and segid EDC1 ) 61.200 0.200" 601 1 604 20 rr_1b5k 2
134 "assign ( resid 10 and name H6 and segid EDC2 ) ( resid 10 and name H5 and segid EDC2 ) 66.300 0.200" 605 1 608 20 rr_1b5k 2
135 "assign ( resid 11 and name H6 and segid EDC1 ) ( resid 11 and name H5 and segid EDC1 ) 81.700 0.200" 609 1 612 20 rr_1b5k 2
136 "assign ( resid 11 and name H6 and segid EDC1 ) ( resid 11 and name H1* and segid EDC1 ) 1.480 0.200" 613 1 616 19 rr_1b5k 2
137 "assign ( resid 11 and name H6 and segid EDC1 ) ( resid 10 and name H1* and segid EDC1 ) 20.700 0.200" 617 1 620 20 rr_1b5k 2
138 "assign ( resid 2 and name H6 and segid EDC2 ) ( resid 1 and name H1* and segid EDC2 ) 15.800 0.200" 621 1 624 20 rr_1b5k 2
139 "assign ( resid 7 and name H6 and segid EDC1 ) ( resid 7 and name H5 and segid EDC1 ) 75.200 0.200" 625 1 628 20 rr_1b5k 2
140 "assign ( resid 1 and name H6 and segid EDC1 ) ( resid 1 and name H5 and segid EDC1 ) 82.600 0.200" 629 1 632 20 rr_1b5k 2
141 "assign ( resid 1 and name H6 and segid EDC1 ) ( resid 1 and name H1* and segid EDC1 ) 16.400 0.200" 633 1 636 20 rr_1b5k 2
142 "assign ( resid 5 and name H8 and segid EDC2 ) ( resid 5 and name H1* and segid EDC2 ) 6.470 0.200" 637 1 640 19 rr_1b5k 2
143 "assign ( resid 11 and name H8 and segid EDC2 ) ( resid 10 and name H1* and segid EDC2 ) 0.850 0.200" 641 1 644 19 rr_1b5k 2
144 "assign ( resid 1 and name H8 and segid EDC2 ) ( resid 2 and name H5 and segid EDC2 ) 0.017 0.200" 645 1 648 19 rr_1b5k 2
145 "assign ( resid 1 and name H8 and segid EDC2 ) ( resid 1 and name H1* and segid EDC2 ) 3.300 0.200" 649 1 652 19 rr_1b5k 2
146 "assign ( resid 2 and name H8 and segid EDC1 ) ( resid 2 and name H1* and segid EDC1 ) 3.590 0.200" 653 1 656 19 rr_1b5k 2
147 "assign ( resid 2 and name H8 and segid EDC1 ) ( resid 1 and name H1* and segid EDC1 ) 2.220 0.200" 657 1 660 19 rr_1b5k 2
148 "assign ( resid 4 and name H8 and segid EDC1 ) ( resid 4 and name H1* and segid EDC1 ) 1.320 0.200" 661 1 664 19 rr_1b5k 2
149 "assign ( resid 4 and name H8 and segid EDC1 ) ( resid 3 and name H1* and segid EDC1 ) 1.570 0.200" 665 1 668 19 rr_1b5k 2
150 "assign ( resid 8 and name H8 and segid EDC1 ) ( resid 8 and name H1* and segid EDC1 ) 1.550 0.200" 669 1 672 19 rr_1b5k 2
151 "assign ( resid 8 and name H8 and segid EDC1 ) ( resid 7 and name H1* and segid EDC1 ) 5.450 0.200" 673 1 676 19 rr_1b5k 2
152 "assign ( resid 3 and name H8 and segid EDC2 ) ( resid 3 and name H1* and segid EDC2 ) 4.610 0.200" 677 1 680 19 rr_1b5k 2
153 "assign ( resid 3 and name H8 and segid EDC2 ) ( resid 2 and name H1* and segid EDC2 ) 10.200 0.200" 681 1 684 20 rr_1b5k 2
154 "assign ( resid 6 and name H8 and segid EDC1 ) ( resid 6 and name H7 and segid EDC1 ) 44.200 0.200" 685 1 688 20 rr_1b5k 2
155
;assign ( resid 7 and name H6 and segid EDC1 ) ( resid 6 and name H6 and segid EDC1 ) 1.400 0.200 !assign ( resid 5 and name H8 and segid EDC2 )
! ( resid 4 and name H6 and segid EDC2 )
! 1.320 0.200
;
689 1 696 20 rr_1b5k 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_1b5k
_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 30-DEC-98 1B4Y *TITLE STRUCTURE AND MECHANISM OF FORMATION OF THE H-Y5 ISOMER OF *TITLE 2 AN INTRAMOLECULAR DNA TRIPLE HELIX. *COMPND MOL_ID: 1; *COMPND 2 MOLECULE: DNA (H-Y5 TRIPLE HELIX); *COMPND 3 CHAIN: A; *COMPND 4 SYNONYM: H-DNA; *COMPND 5 ENGINEERED: YES *SOURCE MOL_ID: 1; *SOURCE 2 SYNTHETIC: YES; *SOURCE 3 OTHER_DETAILS: THE DESIGNED DNA SEQUENCE WAS CHEMICALLY *SOURCE 4 SYNTHESIZED. *KEYWDS H-DNA, TRIPLE HELIX, DNA *EXPDTA NMR, 12 STRUCTURES *AUTHOR M.J.P.VAN DONGEN, J.F.DORELEIJERS, G.A.VAN DER MAREL, *AUTHOR 2 J.H.VAN BOOM, C.W.HILBERS, S.S.WIJMENGA *REVDAT 1 13-SEP-99 1B4Y 0 !&&&&&&&&&&&&&&&&&&&&&&&&&&&&&&&&&&&&&&&&&&&&&&&&&&&&&&&&&&&&&&&&&"
save_
save_MR_file_comment_5
_Org_constr_file_comment.Sf_framecode MR_file_comment_5
_Org_constr_file_comment.Sf_category org_constr_file_comment
_Org_constr_file_comment.Entry_ID rr_1b5k
_Org_constr_file_comment.ID 3
_Org_constr_file_comment.Constraint_file_ID 1
_Org_constr_file_comment.Block_ID 5
_Org_constr_file_comment.Details "Generated by Wattos"
_Org_constr_file_comment.Comment
;set echo=on end ! &&&&&&&&&&&&&&&&&&&&&&&&&&&&&&&&&&&&&&&&&&&&&&&&&&&&&&&&&&&&&&&&&&&&&&&&&&&
! &&&&&&&&&&&&&&&&&&&&&&&&&&&&&&&&&&&&&&&&&&&&&&&&&&&&&&&&&&&&&&&&&&&&&&&&&&& REMARKS NOE VOLUMES MEASURED AT 90 MS MIXING TIME. !remarks All methyl interactions commented out.
!remarks All interactions that are being handled by the *negative restraints* file commented out. set echo=off end
;
save_
save_MR_file_comment_3
_Org_constr_file_comment.Sf_framecode MR_file_comment_3
_Org_constr_file_comment.Sf_category org_constr_file_comment
_Org_constr_file_comment.Entry_ID rr_1b5k
_Org_constr_file_comment.ID 2
_Org_constr_file_comment.Constraint_file_ID 1
_Org_constr_file_comment.Block_ID 3
_Org_constr_file_comment.Details "Generated by Wattos"
_Org_constr_file_comment.Comment
;! End of NOE-distance file.
!&&&&&&&&&&&&&&&&&&&&&&&&&&&&&&&&&&&&&&&&&&&&&&&&&&&&&&&&&&&&&&&&&&&& !&&&&&&&&&&&&&&&&&&&&&&&&&&&&&&&&&&&&&&&&&&&&&&&&&&&&&&&&&&&&&&&&&&& REMARKS NOE VOLUMES MEASURED AT 50 MS MIXING TIME. !remarks All methyl interactions commented out.
!remarks All interactions that are being handled by the *negative restraints* file commented out. set echo=off end
;
save_
save_MR_file_comment_9
_Org_constr_file_comment.Sf_framecode MR_file_comment_9
_Org_constr_file_comment.Sf_category org_constr_file_comment
_Org_constr_file_comment.Entry_ID rr_1b5k
_Org_constr_file_comment.ID 5
_Org_constr_file_comment.Constraint_file_ID 1
_Org_constr_file_comment.Block_ID 9
_Org_constr_file_comment.Details "Generated by Wattos"
_Org_constr_file_comment.Comment
;set echo=on end !&&&&&&&&&&&&&&&&&&&&&&&&&&&&&&&&&&&&&&&&&&&&&&&&&&&&&&&&&&&&&&&&&&&&&&&
!&&&&&&&&&&&&&&&&&&&&&&&&&&&&&&&&&&&&&&&&&&&&&&&&&&&&&&&&&&&&&&&&&&&&&&& REMARKS NOE VOLUMES MEASURED AT 170 MS MIXING TIME. !remarks All methyl interactions commented out.
!remarks All interactions that are being handled by the *negative restraints* file commented out. set echo=off end
;
save_
save_MR_file_comment_7
_Org_constr_file_comment.Sf_framecode MR_file_comment_7
_Org_constr_file_comment.Sf_category org_constr_file_comment
_Org_constr_file_comment.Entry_ID rr_1b5k
_Org_constr_file_comment.ID 4
_Org_constr_file_comment.Constraint_file_ID 1
_Org_constr_file_comment.Block_ID 7
_Org_constr_file_comment.Details "Generated by Wattos"
_Org_constr_file_comment.Comment
;set echo=on end ! &&&&&&&&&&&&&&&&&&&&&&&&&&&&&&&&&&&&&&&&&&&&&&&&&&&&&&&&&&&&&&&&&&&&&
!&&&&&&&&&&&&&&&&&&&&&&&&&&&&&&&&&&&&&&&&&&&&&&&&&&&&&&&&&&&&&&&&&&&&&& REMARKS NOE VOLUMES MEASURED AT 130 MS MIXING TIME. !remarks All methyl interactions commented out.
!remarks All interactions that are being handled by the *negative restraints* file commented out. set echo=off end
;
save_
save_MR_file_comment_13
_Org_constr_file_comment.Sf_framecode MR_file_comment_13
_Org_constr_file_comment.Sf_category org_constr_file_comment
_Org_constr_file_comment.Entry_ID rr_1b5k
_Org_constr_file_comment.ID 7
_Org_constr_file_comment.Constraint_file_ID 1
_Org_constr_file_comment.Block_ID 13
_Org_constr_file_comment.Details "Generated by Wattos"
_Org_constr_file_comment.Comment "set echo=on end ! &&&&&&&&&&&&&&&&&&&&&&&&&&&&&&&&&&&&&&&&&&&&&&&&&&&&&&&&&&&&&&&&&&"
save_
save_MR_file_comment_11
_Org_constr_file_comment.Sf_framecode MR_file_comment_11
_Org_constr_file_comment.Sf_category org_constr_file_comment
_Org_constr_file_comment.Entry_ID rr_1b5k
_Org_constr_file_comment.ID 6
_Org_constr_file_comment.Constraint_file_ID 1
_Org_constr_file_comment.Block_ID 11
_Org_constr_file_comment.Details "Generated by Wattos"
_Org_constr_file_comment.Comment
;set echo=on end !&&&&&&&&&&&&&&&&&&&&&&&&&&&&&&&&&&&&&&&&&&&&&&&&&&&&&&&&&&&&&
!&&&&&&&&&&&&&&&&&&&&&&&&&&&&&&&&&&&&&&&&&&&&&&&&&&&&&&&&&&&&& REMARKS NOE VOLUMES MEASURED AT 210 MS MIXING TIME. !remarks All methyl interactions commented out.
!remarks All interactions that are being handled by the *negative restraints* file commented out. set echo=off end
;
save_
Contact the webmaster for help, if required. Thursday, May 9, 2024 12:45:15 AM GMT (wattos1)