Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | item_count |
|
|
393971 | 1r2l RC | 5979 | cing | 3-converted-DOCR | STAR | entry | full | 317 |
data_DOCR_restraints_with_modified_coordinates_PDB_code_1r2l
# This DOCR archive file contains, for PDB entry <1r2l>:
#
# - 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_1r2l
_Entry.Title "wwPDB remediated NMR restraints for PDB entry 1r2l"
_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 1r2l"
save_
save_assembly
_Assembly.Sf_category assembly
_Assembly.Sf_framecode assembly
_Assembly.Entry_ID rr_1r2l
_Assembly.ID 1
_Assembly.Name 1r2l
_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 7354.69634
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 P DNR P DNR P DAP DTP DAP DAP DTP DTP DTP DAP DNR P DNR 3" 1 $DNA__5__D_P__DNR_P__DNR_P_DAP_DTP_DAP_DAP_DTP_DTP_DTP_DAP__DNR_P__DNR___3__ A . no . . . . . . rr_1r2l 1
2 "5 D P CP CP TP AP TP GP AP AP AP TP CP C 3" 2 $5__D_P_CP_CP_TP_AP_TP_GP_AP_AP_AP_TP_CP_C__3_ B . no . . . . . . rr_1r2l 1
stop_
save_
save_DNA__5__D_P__DNR_P__DNR_P_DAP_DTP_DAP_DAP_DTP_DTP_DTP_DAP__DNR_P__DNR___3__
_Entity.Sf_category entity
_Entity.Sf_framecode DNA__5__D_P__DNR_P__DNR_P_DAP_DTP_DAP_DAP_DTP_DTP_DTP_DAP__DNR_P__DNR___3__
_Entity.Entry_ID rr_1r2l
_Entity.ID 1
_Entity.Name DNA__5__D_P__DNR_P__DNR_P_DAP_DTP_DAP_DAP_DTP_DTP_DTP_DAP__DNR_P__DNR___3__
_Entity.Type non-polymer
_Entity.Ambiguous_conformational_states no
_Entity.Ambiguous_chem_comp_sites no
_Entity.Nstd_chirality yes
_Entity.Nstd_linkage yes
_Entity.Nonpolymer_comp_ID DNR
_Entity.Nonpolymer_comp_label $chem_comp_DNR
_Entity.Number_of_monomers 12
_Entity.Paramagnetic no
_Entity.Thiol_state "not present"
_Entity.Parent_entity_ID 1
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 . DNR . rr_1r2l 1
2 . DNR . rr_1r2l 1
3 . DA . rr_1r2l 1
4 . DT . rr_1r2l 1
5 . DA . rr_1r2l 1
6 . DA . rr_1r2l 1
7 . DT . rr_1r2l 1
8 . DT . rr_1r2l 1
9 . DT . rr_1r2l 1
10 . DA . rr_1r2l 1
11 . DNR . rr_1r2l 1
12 . DNR . rr_1r2l 1
stop_
save_
save_5__D_P_CP_CP_TP_AP_TP_GP_AP_AP_AP_TP_CP_C__3_
_Entity.Sf_category entity
_Entity.Sf_framecode 5__D_P_CP_CP_TP_AP_TP_GP_AP_AP_AP_TP_CP_C__3_
_Entity.Entry_ID rr_1r2l
_Entity.ID 2
_Entity.Name 5__D_P_CP_CP_TP_AP_TP_GP_AP_AP_AP_TP_CP_C__3_
_Entity.Type polymer
_Entity.Polymer_type polydeoxyribonucleotide
_Entity.Polymer_strand_ID B
_Entity.Polymer_seq_one_letter_code CCTATGAAATCC
_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 12
_Entity.Paramagnetic no
_Entity.Thiol_state "not present"
_Entity.Parent_entity_ID 2
_Entity.Formula_weight 3660.31202
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_1r2l 2
2 . DC . rr_1r2l 2
3 . DT . rr_1r2l 2
4 . DA . rr_1r2l 2
5 . DT . rr_1r2l 2
6 . DG . rr_1r2l 2
7 . DA . rr_1r2l 2
8 . DA . rr_1r2l 2
9 . DA . rr_1r2l 2
10 . DT . rr_1r2l 2
11 . DC . rr_1r2l 2
12 . DC . rr_1r2l 2
stop_
loop_
_Entity_poly_seq.Hetero
_Entity_poly_seq.Mon_ID
_Entity_poly_seq.Num
_Entity_poly_seq.Comp_index_ID
_Entity_poly_seq.Entry_ID
_Entity_poly_seq.Entity_ID
. DC 1 1 rr_1r2l 2
. DC 2 2 rr_1r2l 2
. DT 3 3 rr_1r2l 2
. DA 4 4 rr_1r2l 2
. DT 5 5 rr_1r2l 2
. DG 6 6 rr_1r2l 2
. DA 7 7 rr_1r2l 2
. DA 8 8 rr_1r2l 2
. DA 9 9 rr_1r2l 2
. DT 10 10 rr_1r2l 2
. DC 11 11 rr_1r2l 2
. DC 12 12 rr_1r2l 2
stop_
save_
save_chem_comp_DNR
_Chem_comp.Sf_category chem_comp
_Chem_comp.Sf_framecode chem_comp_DNR
_Chem_comp.Entry_ID rr_1r2l
_Chem_comp.ID DNR
_Chem_comp.Name "2'-DEOXY-N3-PROTONATED CYTIDINE-5'-MONOPHOSPHATE"
_Chem_comp.Type non-polymer
_Chem_comp.PDB_code DNR
_Chem_comp.Formal_charge 1
_Chem_comp.Paramagnetic no
_Chem_comp.Aromatic no
_Chem_comp.Formula "C9 H15 N3 O7 P"
_Chem_comp.Formula_weight 308.20716
save_
save_conformer_statistics
_Conformer_stat_list.Sf_category conformer_statistics
_Conformer_stat_list.Sf_framecode conformer_statistics
_Conformer_stat_list.Entry_ID rr_1r2l
_Conformer_stat_list.ID 1
_Conformer_stat_list.Conf_family_coord_set_ID 1
_Conformer_stat_list.Conf_family_coord_set_label $Original_constraints_and_structures
_Conformer_stat_list.Conformer_submitted_total_num 1
save_
save_ensemble_of_conformers
_Conformer_family_coord_set.Sf_category conformer_family_coord_set
_Conformer_family_coord_set.Sf_framecode ensemble_of_conformers
_Conformer_family_coord_set.Entry_ID rr_1r2l
_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_1r2l 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_1r2l 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 DNR C1' C -5.448 -4.088 -1.098 . . . 1.0 . . . . . . . . . . . . A . 1 DNR C1' . . . . . . . . . rr_1r2l 1
. 1 . 2 . 1 1 1 DNR C2 C -4.166 -2.534 0.337 . . . 1.0 . . . . . . . . . . . . A . 1 DNR C2 . . . . . . . . . rr_1r2l 1
. 1 . 3 . 1 1 1 DNR C2' C -6.541 -4.959 -0.508 . . . 1.0 . . . . . . . . . . . . A . 1 DNR C2' . . . . . . . . . rr_1r2l 1
. 1 . 4 . 1 1 1 DNR C3' C -6.943 -5.852 -1.686 . . . 1.0 . . . . . . . . . . . . A . 1 DNR C3' . . . . . . . . . rr_1r2l 1
. 1 . 5 . 1 1 1 DNR C4 C -4.900 -0.304 0.626 . . . 1.0 . . . . . . . . . . . . A . 1 DNR C4 . . . . . . . . . rr_1r2l 1
. 1 . 6 . 1 1 1 DNR C4' C -6.676 -4.935 -2.901 . . . 1.0 . . . . . . . . . . . . A . 1 DNR C4' . . . . . . . . . rr_1r2l 1
. 1 . 7 . 1 1 1 DNR C5 C -6.062 -0.543 -0.033 . . . 1.0 . . . . . . . . . . . . A . 1 DNR C5 . . . . . . . . . rr_1r2l 1
. 1 . 8 . 1 1 1 DNR C5' C -7.875 -4.429 -3.740 . . . 1.0 . . . . . . . . . . . . A . 1 DNR C5' . . . . . . . . . rr_1r2l 1
. 1 . 9 . 1 1 1 DNR C6 C -6.298 -1.784 -0.535 . . . 1.0 . . . . . . . . . . . . A . 1 DNR C6 . . . . . . . . . rr_1r2l 1
. 1 . 10 . 1 1 1 DNR H1' H -4.517 -4.680 -1.120 . . . 1.0 . . . . . . . . . . . . A . 1 DNR H1' . . . . . . . . . rr_1r2l 1
. 1 . 11 . 1 1 1 DNR H2' H -7.398 -4.339 -0.214 . . . 1.0 . . . . . . . . . . . . A . 1 DNR H2' . . . . . . . . . rr_1r2l 1
. 1 . 12 . 1 1 1 DNR H2'' H -6.189 -5.541 0.351 . . . 1.0 . . . . . . . . . . . . A . 1 DNR H2'' . . . . . . . . . rr_1r2l 1
. 1 . 13 . 1 1 1 DNR H3' H -8.009 -6.130 -1.629 . . . 1.0 . . . . . . . . . . . . A . 1 DNR H3' . . . . . . . . . rr_1r2l 1
. 1 . 14 . 1 1 1 DNR H4' H -6.045 -5.509 -3.591 . . . 1.0 . . . . . . . . . . . . A . 1 DNR H4' . . . . . . . . . rr_1r2l 1
. 1 . 15 . 1 1 1 DNR H41 H -5.071 1.182 2.020 . . . 1.0 . . . . . . . . . . . . A . 1 DNR H41 . . . . . . . . . rr_1r2l 1
. 1 . 16 . 1 1 1 DNR H42 H -3.595 1.198 1.132 . . . 1.0 . . . . . . . . . . . . A . 1 DNR H42 . . . . . . . . . rr_1r2l 1
. 1 . 17 . 1 1 1 DNR H5 H -6.792 0.243 -0.161 . . . 1.0 . . . . . . . . . . . . A . 1 DNR H5 . . . . . . . . . rr_1r2l 1
. 1 . 18 . 1 1 1 DNR H5' H -7.466 -3.792 -4.526 . . . 1.0 . . . . . . . . . . . . A . 1 DNR H5' . . . . . . . . . rr_1r2l 1
. 1 . 19 . 1 1 1 DNR H5'' H -8.348 -5.300 -4.195 . . . 1.0 . . . . . . . . . . . . A . 1 DNR H5'' . . . . . . . . . rr_1r2l 1
. 1 . 20 . 1 1 1 DNR H6 H -7.225 -2.002 -1.051 . . . 1.0 . . . . . . . . . . . . A . 1 DNR H6 . . . . . . . . . rr_1r2l 1
. 1 . 21 . 1 1 1 DNR HN3 H -3.118 -1.092 1.313 . . . 1.0 . . . . . . . . . . . . A . 1 DNR HN3 . . . . . . . . . rr_1r2l 1
. 1 . 22 . 1 1 1 DNR N1 N -5.268 -2.831 -0.384 . . . 1.0 . . . . . . . . . . . . A . 1 DNR N1 . . . . . . . . . rr_1r2l 1
. 1 . 23 . 1 1 1 DNR N3 N -3.979 -1.300 0.824 . . . 1.0 . . . . . . . . . . . . A . 1 DNR N3 . . . . . . . . . rr_1r2l 1
. 1 . 24 . 1 1 1 DNR N4 N -4.600 0.990 1.147 . . . 1.0 . . . . . . . . . . . . A . 1 DNR N4 . . . . . . . . . rr_1r2l 1
. 1 . 25 . 1 1 1 DNR O2 O -3.278 -3.363 0.509 . . . 1.0 . . . . . . . . . . . . A . 1 DNR O2 . . . . . . . . . rr_1r2l 1
. 1 . 26 . 1 1 1 DNR O3' O -6.091 -7.005 -1.847 . . . 1.0 . . . . . . . . . . . . A . 1 DNR O3' . . . . . . . . . rr_1r2l 1
. 1 . 27 . 1 1 1 DNR O4' O -5.846 -3.855 -2.447 . . . 1.0 . . . . . . . . . . . . A . 1 DNR O4' . . . . . . . . . rr_1r2l 1
. 1 . 28 . 1 1 1 DNR O5' O -8.854 -3.697 -3.021 . . . 1.0 . . . . . . . . . . . . A . 1 DNR O5' . . . . . . . . . rr_1r2l 1
. 1 . 29 . 1 1 1 DNR OP1 O -10.918 -4.190 -4.342 . . . 1.0 . . . . . . . . . . . . A . 1 DNR OP1 . . . . . . . . . rr_1r2l 1
. 1 . 30 . 1 1 1 DNR OP2 O -9.622 -2.056 -4.745 . . . 1.0 . . . . . . . . . . . . A . 1 DNR OP2 . . . . . . . . . rr_1r2l 1
. 1 . 31 . 1 1 1 DNR P P -10.128 -3.065 -3.784 . . . 1.0 . . . . . . . . . . . . A . 1 DNR P . . . . . . . . . rr_1r2l 1
. 1 . 32 . 1 1 2 DNR C1' C -2.591 -6.047 2.738 . . . 1.0 . . . . . . . . . . . . A . 2 DNR C1' . . . . . . . . . rr_1r2l 1
. 1 . 33 . 1 1 2 DNR C2 C -3.066 -3.910 3.898 . . . 1.0 . . . . . . . . . . . . A . 2 DNR C2 . . . . . . . . . rr_1r2l 1
. 1 . 34 . 1 1 2 DNR C2' C -2.872 -7.387 3.406 . . . 1.0 . . . . . . . . . . . . A . 2 DNR C2' . . . . . . . . . rr_1r2l 1
. 1 . 35 . 1 1 2 DNR C3' C -2.575 -8.435 2.321 . . . 1.0 . . . . . . . . . . . . A . 2 DNR C3' . . . . . . . . . rr_1r2l 1
. 1 . 36 . 1 1 2 DNR C4 C -5.215 -2.934 3.760 . . . 1.0 . . . . . . . . . . . . A . 2 DNR C4 . . . . . . . . . rr_1r2l 1
. 1 . 37 . 1 1 2 DNR C4' C -2.680 -7.635 1.005 . . . 1.0 . . . . . . . . . . . . A . 2 DNR C4' . . . . . . . . . rr_1r2l 1
. 1 . 38 . 1 1 2 DNR C5 C -5.717 -3.998 3.087 . . . 1.0 . . . . . . . . . . . . A . 2 DNR C5 . . . . . . . . . rr_1r2l 1
. 1 . 39 . 1 1 2 DNR C5' C -3.742 -8.038 -0.046 . . . 1.0 . . . . . . . . . . . . A . 2 DNR C5' . . . . . . . . . rr_1r2l 1
. 1 . 40 . 1 1 2 DNR C6 C -4.897 -5.038 2.788 . . . 1.0 . . . . . . . . . . . . A . 2 DNR C6 . . . . . . . . . rr_1r2l 1
. 1 . 41 . 1 1 2 DNR H1' H -1.531 -5.793 2.907 . . . 1.0 . . . . . . . . . . . . A . 2 DNR H1' . . . . . . . . . rr_1r2l 1
. 1 . 42 . 1 1 2 DNR H2' H -3.931 -7.459 3.689 . . . 1.0 . . . . . . . . . . . . A . 2 DNR H2' . . . . . . . . . rr_1r2l 1
. 1 . 43 . 1 1 2 DNR H2'' H -2.259 -7.519 4.310 . . . 1.0 . . . . . . . . . . . . A . 2 DNR H2'' . . . . . . . . . rr_1r2l 1
. 1 . 44 . 1 1 2 DNR H3' H -3.328 -9.240 2.340 . . . 1.0 . . . . . . . . . . . . A . 2 DNR H3' . . . . . . . . . rr_1r2l 1
. 1 . 45 . 1 1 2 DNR H4' H -1.713 -7.729 0.492 . . . 1.0 . . . . . . . . . . . . A . 2 DNR H4' . . . . . . . . . rr_1r2l 1
. 1 . 46 . 1 1 2 DNR H41 H -6.470 -1.935 5.025 . . . 1.0 . . . . . . . . . . . . A . 2 DNR H41 . . . . . . . . . rr_1r2l 1
. 1 . 47 . 1 1 2 DNR H42 H -5.531 -0.953 4.027 . . . 1.0 . . . . . . . . . . . . A . 2 DNR H42 . . . . . . . . . rr_1r2l 1
. 1 . 48 . 1 1 2 DNR H5 H -6.757 -4.021 2.789 . . . 1.0 . . . . . . . . . . . . A . 2 DNR H5 . . . . . . . . . rr_1r2l 1
. 1 . 49 . 1 1 2 DNR H5' H -3.541 -7.429 -0.929 . . . 1.0 . . . . . . . . . . . . A . 2 DNR H5' . . . . . . . . . rr_1r2l 1
. 1 . 50 . 1 1 2 DNR H5'' H -3.569 -9.086 -0.298 . . . 1.0 . . . . . . . . . . . . A . 2 DNR H5'' . . . . . . . . . rr_1r2l 1
. 1 . 51 . 1 1 2 DNR H6 H -5.283 -5.898 2.256 . . . 1.0 . . . . . . . . . . . . A . 2 DNR H6 . . . . . . . . . rr_1r2l 1
. 1 . 52 . 1 1 2 DNR HN3 H -3.551 -2.085 4.650 . . . 1.0 . . . . . . . . . . . . A . 2 DNR HN3 . . . . . . . . . rr_1r2l 1
. 1 . 53 . 1 1 2 DNR N1 N -3.478 -4.982 3.189 . . . 1.0 . . . . . . . . . . . . A . 2 DNR N1 . . . . . . . . . rr_1r2l 1
. 1 . 54 . 1 1 2 DNR N3 N -3.902 -2.895 4.156 . . . 1.0 . . . . . . . . . . . . A . 2 DNR N3 . . . . . . . . . rr_1r2l 1
. 1 . 55 . 1 1 2 DNR N4 N -6.042 -1.826 4.106 . . . 1.0 . . . . . . . . . . . . A . 2 DNR N4 . . . . . . . . . rr_1r2l 1
. 1 . 56 . 1 1 2 DNR O2 O -1.913 -3.830 4.316 . . . 1.0 . . . . . . . . . . . . A . 2 DNR O2 . . . . . . . . . rr_1r2l 1
. 1 . 57 . 1 1 2 DNR O3' O -1.232 -8.956 2.363 . . . 1.0 . . . . . . . . . . . . A . 2 DNR O3' . . . . . . . . . rr_1r2l 1
. 1 . 58 . 1 1 2 DNR O4' O -2.766 -6.251 1.339 . . . 1.0 . . . . . . . . . . . . A . 2 DNR O4' . . . . . . . . . rr_1r2l 1
. 1 . 59 . 1 1 2 DNR O5' O -5.099 -7.856 0.337 . . . 1.0 . . . . . . . . . . . . A . 2 DNR O5' . . . . . . . . . rr_1r2l 1
. 1 . 60 . 1 1 2 DNR OP1 O -5.924 -9.434 -1.409 . . . 1.0 . . . . . . . . . . . . A . 2 DNR OP1 . . . . . . . . . rr_1r2l 1
. 1 . 61 . 1 1 2 DNR OP2 O -7.596 -8.022 -0.096 . . . 1.0 . . . . . . . . . . . . A . 2 DNR OP2 . . . . . . . . . rr_1r2l 1
. 1 . 62 . 1 1 2 DNR P P -6.272 -8.163 -0.729 . . . 1.0 . . . . . . . . . . . . A . 2 DNR P . . . . . . . . . rr_1r2l 1
. 1 . 63 . 1 1 3 DA C1' C 0.866 -5.919 6.870 . . . 1.0 . . . . . . . . . . . . A . 3 DA C1' . . . . . . . . . rr_1r2l 1
. 1 . 64 . 1 1 3 DA C2 C -1.169 -2.152 7.331 . . . 1.0 . . . . . . . . . . . . A . 3 DA C2 . . . . . . . . . rr_1r2l 1
. 1 . 65 . 1 1 3 DA C2' C 1.563 -7.086 7.564 . . . 1.0 . . . . . . . . . . . . A . 3 DA C2' . . . . . . . . . rr_1r2l 1
. 1 . 66 . 1 1 3 DA C3' C 2.408 -7.696 6.451 . . . 1.0 . . . . . . . . . . . . A . 3 DA C3' . . . . . . . . . rr_1r2l 1
. 1 . 67 . 1 1 3 DA C4 C -0.986 -4.367 7.507 . . . 1.0 . . . . . . . . . . . . A . 3 DA C4 . . . . . . . . . rr_1r2l 1
. 1 . 68 . 1 1 3 DA C4' C 1.628 -7.259 5.189 . . . 1.0 . . . . . . . . . . . . A . 3 DA C4' . . . . . . . . . rr_1r2l 1
. 1 . 69 . 1 1 3 DA C5 C -2.333 -4.570 7.546 . . . 1.0 . . . . . . . . . . . . A . 3 DA C5 . . . . . . . . . rr_1r2l 1
. 1 . 70 . 1 1 3 DA C5' C 1.127 -8.374 4.250 . . . 1.0 . . . . . . . . . . . . A . 3 DA C5' . . . . . . . . . rr_1r2l 1
. 1 . 71 . 1 1 3 DA C6 C -3.066 -3.392 7.335 . . . 1.0 . . . . . . . . . . . . A . 3 DA C6 . . . . . . . . . rr_1r2l 1
. 1 . 72 . 1 1 3 DA C8 C -1.472 -6.485 7.705 . . . 1.0 . . . . . . . . . . . . A . 3 DA C8 . . . . . . . . . rr_1r2l 1
. 1 . 73 . 1 1 3 DA H1' H 1.520 -5.048 6.726 . . . 1.0 . . . . . . . . . . . . A . 3 DA H1' . . . . . . . . . rr_1r2l 1
. 1 . 74 . 1 1 3 DA H2 H -0.715 -1.175 7.260 . . . 1.0 . . . . . . . . . . . . A . 3 DA H2 . . . . . . . . . rr_1r2l 1
. 1 . 75 . 1 1 3 DA H2' H 0.850 -7.846 7.877 . . . 1.0 . . . . . . . . . . . . A . 3 DA H2' . . . . . . . . . rr_1r2l 1
. 1 . 76 . 1 1 3 DA H2'' H 2.123 -6.770 8.437 . . . 1.0 . . . . . . . . . . . . A . 3 DA H2'' . . . . . . . . . rr_1r2l 1
. 1 . 77 . 1 1 3 DA H3' H 2.455 -8.783 6.546 . . . 1.0 . . . . . . . . . . . . A . 3 DA H3' . . . . . . . . . rr_1r2l 1
. 1 . 78 . 1 1 3 DA H4' H 2.293 -6.631 4.592 . . . 1.0 . . . . . . . . . . . . A . 3 DA H4' . . . . . . . . . rr_1r2l 1
. 1 . 79 . 1 1 3 DA H5' H 0.980 -7.893 3.280 . . . 1.0 . . . . . . . . . . . . A . 3 DA H5' . . . . . . . . . rr_1r2l 1
. 1 . 80 . 1 1 3 DA H5'' H 1.910 -9.127 4.142 . . . 1.0 . . . . . . . . . . . . A . 3 DA H5'' . . . . . . . . . rr_1r2l 1
. 1 . 81 . 1 1 3 DA H61 H -4.779 -2.481 6.887 . . . 1.0 . . . . . . . . . . . . A . 3 DA H61 . . . . . . . . . rr_1r2l 1
. 1 . 82 . 1 1 3 DA H62 H -4.870 -4.219 7.207 . . . 1.0 . . . . . . . . . . . . A . 3 DA H62 . . . . . . . . . rr_1r2l 1
. 1 . 83 . 1 1 3 DA H8 H -1.367 -7.559 7.774 . . . 1.0 . . . . . . . . . . . . A . 3 DA H8 . . . . . . . . . rr_1r2l 1
. 1 . 84 . 1 1 3 DA N1 N -2.487 -2.204 7.227 . . . 1.0 . . . . . . . . . . . . A . 3 DA N1 . . . . . . . . . rr_1r2l 1
. 1 . 85 . 1 1 3 DA N3 N -0.333 -3.178 7.398 . . . 1.0 . . . . . . . . . . . . A . 3 DA N3 . . . . . . . . . rr_1r2l 1
. 1 . 86 . 1 1 3 DA N6 N -4.355 -3.363 7.098 . . . 1.0 . . . . . . . . . . . . A . 3 DA N6 . . . . . . . . . rr_1r2l 1
. 1 . 87 . 1 1 3 DA N7 N -2.648 -5.926 7.705 . . . 1.0 . . . . . . . . . . . . A . 3 DA N7 . . . . . . . . . rr_1r2l 1
. 1 . 88 . 1 1 3 DA N9 N -0.429 -5.613 7.488 . . . 1.0 . . . . . . . . . . . . A . 3 DA N9 . . . . . . . . . rr_1r2l 1
. 1 . 89 . 1 1 3 DA O3' O 3.705 -7.135 6.377 . . . 1.0 . . . . . . . . . . . . A . 3 DA O3' . . . . . . . . . rr_1r2l 1
. 1 . 90 . 1 1 3 DA O4' O 0.563 -6.415 5.587 . . . 1.0 . . . . . . . . . . . . A . 3 DA O4' . . . . . . . . . rr_1r2l 1
. 1 . 91 . 1 1 3 DA O5' O -0.098 -8.991 4.636 . . . 1.0 . . . . . . . . . . . . A . 3 DA O5' . . . . . . . . . rr_1r2l 1
. 1 . 92 . 1 1 3 DA OP1 O 0.077 -10.940 3.078 . . . 1.0 . . . . . . . . . . . . A . 3 DA OP1 . . . . . . . . . rr_1r2l 1
. 1 . 93 . 1 1 3 DA OP2 O -2.147 -10.425 4.209 . . . 1.0 . . . . . . . . . . . . A . 3 DA OP2 . . . . . . . . . rr_1r2l 1
. 1 . 94 . 1 1 3 DA P P -0.889 -9.944 3.604 . . . 1.0 . . . . . . . . . . . . A . 3 DA P . . . . . . . . . rr_1r2l 1
. 1 . 95 . 1 1 4 DT C1' C 2.396 -3.164 10.290 . . . 1.0 . . . . . . . . . . . . A . 4 DT C1' . . . . . . . . . rr_1r2l 1
. 1 . 96 . 1 1 4 DT C2 C -0.112 -2.982 10.515 . . . 1.0 . . . . . . . . . . . . A . 4 DT C2 . . . . . . . . . rr_1r2l 1
. 1 . 97 . 1 1 4 DT C2' C 3.616 -3.776 11.042 . . . 1.0 . . . . . . . . . . . . A . 4 DT C2' . . . . . . . . . rr_1r2l 1
. 1 . 98 . 1 1 4 DT C3' C 4.781 -3.424 10.127 . . . 1.0 . . . . . . . . . . . . A . 4 DT C3' . . . . . . . . . rr_1r2l 1
. 1 . 99 . 1 1 4 DT C4 C -1.339 -4.960 11.148 . . . 1.0 . . . . . . . . . . . . A . 4 DT C4 . . . . . . . . . rr_1r2l 1
. 1 . 100 . 1 1 4 DT C4' C 4.130 -3.399 8.741 . . . 1.0 . . . . . . . . . . . . A . 4 DT C4' . . . . . . . . . rr_1r2l 1
. 1 . 101 . 1 1 4 DT C5 C -0.095 -5.714 10.992 . . . 1.0 . . . . . . . . . . . . A . 4 DT C5 . . . . . . . . . rr_1r2l 1
. 1 . 102 . 1 1 4 DT C5' C 4.532 -4.603 7.855 . . . 1.0 . . . . . . . . . . . . A . 4 DT C5' . . . . . . . . . rr_1r2l 1
. 1 . 103 . 1 1 4 DT C6 C 0.992 -5.121 10.462 . . . 1.0 . . . . . . . . . . . . A . 4 DT C6 . . . . . . . . . rr_1r2l 1
. 1 . 104 . 1 1 4 DT C7 C 0.381 -6.624 12.101 . . . 1.0 . . . . . . . . . . . . A . 4 DT C7 . . . . . . . . . rr_1r2l 1
. 1 . 105 . 1 1 4 DT H1' H 2.264 -2.230 10.770 . . . 1.0 . . . . . . . . . . . . A . 4 DT H1' . . . . . . . . . rr_1r2l 1
. 1 . 106 . 1 1 4 DT H2' H 3.594 -4.857 11.081 . . . 1.0 . . . . . . . . . . . . A . 4 DT H2' . . . . . . . . . rr_1r2l 1
. 1 . 107 . 1 1 4 DT H2'' H 3.866 -3.452 12.061 . . . 1.0 . . . . . . . . . . . . A . 4 DT H2'' . . . . . . . . . rr_1r2l 1
. 1 . 108 . 1 1 4 DT H3 H -2.119 -3.137 10.940 . . . 1.0 . . . . . . . . . . . . A . 4 DT H3 . . . . . . . . . rr_1r2l 1
. 1 . 109 . 1 1 4 DT H3' H 5.509 -4.210 10.198 . . . 1.0 . . . . . . . . . . . . A . 4 DT H3' . . . . . . . . . rr_1r2l 1
. 1 . 110 . 1 1 4 DT H4' H 4.479 -2.521 8.194 . . . 1.0 . . . . . . . . . . . . A . 4 DT H4' . . . . . . . . . rr_1r2l 1
. 1 . 111 . 1 1 4 DT H5' H 3.953 -4.540 6.932 . . . 1.0 . . . . . . . . . . . . A . 4 DT H5' . . . . . . . . . rr_1r2l 1
. 1 . 112 . 1 1 4 DT H5'' H 5.586 -4.467 7.602 . . . 1.0 . . . . . . . . . . . . A . 4 DT H5'' . . . . . . . . . rr_1r2l 1
. 1 . 113 . 1 1 4 DT H6 H 1.896 -5.713 10.431 . . . 1.0 . . . . . . . . . . . . A . 4 DT H6 . . . . . . . . . rr_1r2l 1
. 1 . 114 . 1 1 4 DT H71 H 1.078 -5.920 12.630 . . . 1.0 . . . . . . . . . . . . A . 4 DT H71 . . . . . . . . . rr_1r2l 1
. 1 . 115 . 1 1 4 DT H72 H -0.442 -6.951 12.741 . . . 1.0 . . . . . . . . . . . . A . 4 DT H72 . . . . . . . . . rr_1r2l 1
. 1 . 116 . 1 1 4 DT H73 H 0.899 -7.496 11.690 . . . 1.0 . . . . . . . . . . . . A . 4 DT H73 . . . . . . . . . rr_1r2l 1
. 1 . 117 . 1 1 4 DT N1 N 1.047 -3.769 10.343 . . . 1.0 . . . . . . . . . . . . A . 4 DT N1 . . . . . . . . . rr_1r2l 1
. 1 . 118 . 1 1 4 DT N3 N -1.255 -3.644 10.835 . . . 1.0 . . . . . . . . . . . . A . 4 DT N3 . . . . . . . . . rr_1r2l 1
. 1 . 119 . 1 1 4 DT O2 O -0.228 -1.769 10.411 . . . 1.0 . . . . . . . . . . . . A . 4 DT O2 . . . . . . . . . rr_1r2l 1
. 1 . 120 . 1 1 4 DT O3' O 5.377 -2.161 10.324 . . . 1.0 . . . . . . . . . . . . A . 4 DT O3' . . . . . . . . . rr_1r2l 1
. 1 . 121 . 1 1 4 DT O4 O -2.409 -5.396 11.533 . . . 1.0 . . . . . . . . . . . . A . 4 DT O4 . . . . . . . . . rr_1r2l 1
. 1 . 122 . 1 1 4 DT O4' O 2.728 -3.199 8.910 . . . 1.0 . . . . . . . . . . . . A . 4 DT O4' . . . . . . . . . rr_1r2l 1
. 1 . 123 . 1 1 4 DT O5' O 4.392 -5.897 8.434 . . . 1.0 . . . . . . . . . . . . A . 4 DT O5' . . . . . . . . . rr_1r2l 1
. 1 . 124 . 1 1 4 DT OP1 O 6.100 -7.063 6.976 . . . 1.0 . . . . . . . . . . . . A . 4 DT OP1 . . . . . . . . . rr_1r2l 1
. 1 . 125 . 1 1 4 DT OP2 O 4.454 -8.438 8.358 . . . 1.0 . . . . . . . . . . . . A . 4 DT OP2 . . . . . . . . . rr_1r2l 1
. 1 . 126 . 1 1 4 DT P P 4.756 -7.220 7.578 . . . 1.0 . . . . . . . . . . . . A . 4 DT P . . . . . . . . . rr_1r2l 1
. 1 . 127 . 1 1 5 DA C1' C 2.171 0.528 13.614 . . . 1.0 . . . . . . . . . . . . A . 5 DA C1' . . . . . . . . . rr_1r2l 1
. 1 . 128 . 1 1 5 DA C2 C -2.184 -0.065 13.319 . . . 1.0 . . . . . . . . . . . . A . 5 DA C2 . . . . . . . . . rr_1r2l 1
. 1 . 129 . 1 1 5 DA C2' C 3.274 0.843 14.635 . . . 1.0 . . . . . . . . . . . . A . 5 DA C2' . . . . . . . . . rr_1r2l 1
. 1 . 130 . 1 1 5 DA C3' C 4.372 1.557 13.847 . . . 1.0 . . . . . . . . . . . . A . 5 DA C3' . . . . . . . . . rr_1r2l 1
. 1 . 131 . 1 1 5 DA C4 C -0.082 -0.685 13.772 . . . 1.0 . . . . . . . . . . . . A . 5 DA C4 . . . . . . . . . rr_1r2l 1
. 1 . 132 . 1 1 5 DA C4' C 4.055 1.057 12.423 . . . 1.0 . . . . . . . . . . . . A . 5 DA C4' . . . . . . . . . rr_1r2l 1
. 1 . 133 . 1 1 5 DA C5 C -0.438 -1.993 13.991 . . . 1.0 . . . . . . . . . . . . A . 5 DA C5 . . . . . . . . . rr_1r2l 1
. 1 . 134 . 1 1 5 DA C5' C 5.258 0.424 11.704 . . . 1.0 . . . . . . . . . . . . A . 5 DA C5' . . . . . . . . . rr_1r2l 1
. 1 . 135 . 1 1 5 DA C6 C -1.819 -2.251 13.778 . . . 1.0 . . . . . . . . . . . . A . 5 DA C6 . . . . . . . . . rr_1r2l 1
. 1 . 136 . 1 1 5 DA C8 C 1.640 -1.856 14.416 . . . 1.0 . . . . . . . . . . . . A . 5 DA C8 . . . . . . . . . rr_1r2l 1
. 1 . 137 . 1 1 5 DA H1' H 1.596 1.421 13.356 . . . 1.0 . . . . . . . . . . . . A . 5 DA H1' . . . . . . . . . rr_1r2l 1
. 1 . 138 . 1 1 5 DA H2 H -2.895 0.690 13.028 . . . 1.0 . . . . . . . . . . . . A . 5 DA H2 . . . . . . . . . rr_1r2l 1
. 1 . 139 . 1 1 5 DA H2' H 3.710 -0.072 15.031 . . . 1.0 . . . . . . . . . . . . A . 5 DA H2' . . . . . . . . . rr_1r2l 1
. 1 . 140 . 1 1 5 DA H2'' H 2.931 1.454 15.455 . . . 1.0 . . . . . . . . . . . . A . 5 DA H2'' . . . . . . . . . rr_1r2l 1
. 1 . 141 . 1 1 5 DA H3' H 5.367 1.231 14.163 . . . 1.0 . . . . . . . . . . . . A . 5 DA H3' . . . . . . . . . rr_1r2l 1
. 1 . 142 . 1 1 5 DA H4' H 3.741 1.912 11.821 . . . 1.0 . . . . . . . . . . . . A . 5 DA H4' . . . . . . . . . rr_1r2l 1
. 1 . 143 . 1 1 5 DA H5' H 4.937 0.268 10.671 . . . 1.0 . . . . . . . . . . . . A . 5 DA H5' . . . . . . . . . rr_1r2l 1
. 1 . 144 . 1 1 5 DA H5'' H 6.090 1.131 11.691 . . . 1.0 . . . . . . . . . . . . A . 5 DA H5'' . . . . . . . . . rr_1r2l 1
. 1 . 145 . 1 1 5 DA H61 H -3.380 -3.504 13.590 . . . 1.0 . . . . . . . . . . . . A . 5 DA H61 . . . . . . . . . rr_1r2l 1
. 1 . 146 . 1 1 5 DA H62 H -1.874 -4.229 14.117 . . . 1.0 . . . . . . . . . . . . A . 5 DA H62 . . . . . . . . . rr_1r2l 1
. 1 . 147 . 1 1 5 DA H8 H 2.642 -2.105 14.732 . . . 1.0 . . . . . . . . . . . . A . 5 DA H8 . . . . . . . . . rr_1r2l 1
. 1 . 148 . 1 1 5 DA N1 N -2.668 -1.289 13.448 . . . 1.0 . . . . . . . . . . . . A . 5 DA N1 . . . . . . . . . rr_1r2l 1
. 1 . 149 . 1 1 5 DA N3 N -0.919 0.331 13.431 . . . 1.0 . . . . . . . . . . . . A . 5 DA N3 . . . . . . . . . rr_1r2l 1
. 1 . 150 . 1 1 5 DA N6 N -2.416 -3.423 13.869 . . . 1.0 . . . . . . . . . . . . A . 5 DA N6 . . . . . . . . . rr_1r2l 1
. 1 . 151 . 1 1 5 DA N7 N 0.674 -2.739 14.419 . . . 1.0 . . . . . . . . . . . . A . 5 DA N7 . . . . . . . . . rr_1r2l 1
. 1 . 152 . 1 1 5 DA N9 N 1.280 -0.606 13.978 . . . 1.0 . . . . . . . . . . . . A . 5 DA N9 . . . . . . . . . rr_1r2l 1
. 1 . 153 . 1 1 5 DA O3' O 4.244 2.971 13.894 . . . 1.0 . . . . . . . . . . . . A . 5 DA O3' . . . . . . . . . rr_1r2l 1
. 1 . 154 . 1 1 5 DA O4' O 2.938 0.167 12.486 . . . 1.0 . . . . . . . . . . . . A . 5 DA O4' . . . . . . . . . rr_1r2l 1
. 1 . 155 . 1 1 5 DA O5' O 5.689 -0.793 12.302 . . . 1.0 . . . . . . . . . . . . A . 5 DA O5' . . . . . . . . . rr_1r2l 1
. 1 . 156 . 1 1 5 DA OP1 O 7.630 -1.188 10.766 . . . 1.0 . . . . . . . . . . . . A . 5 DA OP1 . . . . . . . . . rr_1r2l 1
. 1 . 157 . 1 1 5 DA OP2 O 6.741 -3.088 12.225 . . . 1.0 . . . . . . . . . . . . A . 5 DA OP2 . . . . . . . . . rr_1r2l 1
. 1 . 158 . 1 1 5 DA P P 6.491 -1.868 11.431 . . . 1.0 . . . . . . . . . . . . A . 5 DA P . . . . . . . . . rr_1r2l 1
. 1 . 159 . 1 1 6 DA C1' C 0.088 4.683 16.515 . . . 1.0 . . . . . . . . . . . . A . 6 DA C1' . . . . . . . . . rr_1r2l 1
. 1 . 160 . 1 1 6 DA C2 C -2.824 1.462 16.542 . . . 1.0 . . . . . . . . . . . . A . 6 DA C2 . . . . . . . . . rr_1r2l 1
. 1 . 161 . 1 1 6 DA C2' C 0.750 5.729 17.423 . . . 1.0 . . . . . . . . . . . . A . 6 DA C2' . . . . . . . . . rr_1r2l 1
. 1 . 162 . 1 1 6 DA C3' C 1.176 6.806 16.434 . . . 1.0 . . . . . . . . . . . . A . 6 DA C3' . . . . . . . . . rr_1r2l 1
. 1 . 163 . 1 1 6 DA C4 C -0.795 2.360 16.906 . . . 1.0 . . . . . . . . . . . . A . 6 DA C4 . . . . . . . . . rr_1r2l 1
. 1 . 164 . 1 1 6 DA C4' C 1.417 5.985 15.146 . . . 1.0 . . . . . . . . . . . . A . 6 DA C4' . . . . . . . . . rr_1r2l 1
. 1 . 165 . 1 1 6 DA C5 C -0.213 1.149 17.129 . . . 1.0 . . . . . . . . . . . . A . 6 DA C5 . . . . . . . . . rr_1r2l 1
. 1 . 166 . 1 1 6 DA C5' C 2.876 5.631 14.776 . . . 1.0 . . . . . . . . . . . . A . 6 DA C5' . . . . . . . . . rr_1r2l 1
. 1 . 167 . 1 1 6 DA C6 C -1.102 0.075 16.995 . . . 1.0 . . . . . . . . . . . . A . 6 DA C6 . . . . . . . . . rr_1r2l 1
. 1 . 168 . 1 1 6 DA C8 C 1.374 2.535 17.157 . . . 1.0 . . . . . . . . . . . . A . 6 DA C8 . . . . . . . . . rr_1r2l 1
. 1 . 169 . 1 1 6 DA H1' H -0.962 4.957 16.399 . . . 1.0 . . . . . . . . . . . . A . 6 DA H1' . . . . . . . . . rr_1r2l 1
. 1 . 170 . 1 1 6 DA H2 H -3.871 1.581 16.311 . . . 1.0 . . . . . . . . . . . . A . 6 DA H2 . . . . . . . . . rr_1r2l 1
. 1 . 171 . 1 1 6 DA H2' H 1.649 5.422 17.941 . . . 1.0 . . . . . . . . . . . . A . 6 DA H2' . . . . . . . . . rr_1r2l 1
. 1 . 172 . 1 1 6 DA H2'' H 0.053 6.066 18.186 . . . 1.0 . . . . . . . . . . . . A . 6 DA H2'' . . . . . . . . . rr_1r2l 1
. 1 . 173 . 1 1 6 DA H3' H 2.091 7.314 16.749 . . . 1.0 . . . . . . . . . . . . A . 6 DA H3' . . . . . . . . . rr_1r2l 1
. 1 . 174 . 1 1 6 DA H4' H 1.031 6.559 14.302 . . . 1.0 . . . . . . . . . . . . A . 6 DA H4' . . . . . . . . . rr_1r2l 1
. 1 . 175 . 1 1 6 DA H5' H 2.836 5.245 13.753 . . . 1.0 . . . . . . . . . . . . A . 6 DA H5' . . . . . . . . . rr_1r2l 1
. 1 . 176 . 1 1 6 DA H5'' H 3.482 6.538 14.769 . . . 1.0 . . . . . . . . . . . . A . 6 DA H5'' . . . . . . . . . rr_1r2l 1
. 1 . 177 . 1 1 6 DA H61 H -1.360 -1.747 16.418 . . . 1.0 . . . . . . . . . . . . A . 6 DA H61 . . . . . . . . . rr_1r2l 1
. 1 . 178 . 1 1 6 DA H62 H 0.276 -1.339 16.967 . . . 1.0 . . . . . . . . . . . . A . 6 DA H62 . . . . . . . . . rr_1r2l 1
. 1 . 179 . 1 1 6 DA H8 H 2.403 2.875 17.141 . . . 1.0 . . . . . . . . . . . . A . 6 DA H8 . . . . . . . . . rr_1r2l 1
. 1 . 180 . 1 1 6 DA N1 N -2.380 0.222 16.686 . . . 1.0 . . . . . . . . . . . . A . 6 DA N1 . . . . . . . . . rr_1r2l 1
. 1 . 181 . 1 1 6 DA N3 N -2.111 2.583 16.632 . . . 1.0 . . . . . . . . . . . . A . 6 DA N3 . . . . . . . . . rr_1r2l 1
. 1 . 182 . 1 1 6 DA N6 N -0.713 -1.166 16.914 . . . 1.0 . . . . . . . . . . . . A . 6 DA N6 . . . . . . . . . rr_1r2l 1
. 1 . 183 . 1 1 6 DA N7 N 1.168 1.256 17.299 . . . 1.0 . . . . . . . . . . . . A . 6 DA N7 . . . . . . . . . rr_1r2l 1
. 1 . 184 . 1 1 6 DA N9 N 0.227 3.279 16.951 . . . 1.0 . . . . . . . . . . . . A . 6 DA N9 . . . . . . . . . rr_1r2l 1
. 1 . 185 . 1 1 6 DA O3' O 0.145 7.751 16.198 . . . 1.0 . . . . . . . . . . . . A . 6 DA O3' . . . . . . . . . rr_1r2l 1
. 1 . 186 . 1 1 6 DA O4' O 0.662 4.788 15.230 . . . 1.0 . . . . . . . . . . . . A . 6 DA O4' . . . . . . . . . rr_1r2l 1
. 1 . 187 . 1 1 6 DA O5' O 3.485 4.655 15.611 . . . 1.0 . . . . . . . . . . . . A . 6 DA O5' . . . . . . . . . rr_1r2l 1
. 1 . 188 . 1 1 6 DA OP1 O 5.738 4.866 14.556 . . . 1.0 . . . . . . . . . . . . A . 6 DA OP1 . . . . . . . . . rr_1r2l 1
. 1 . 189 . 1 1 6 DA OP2 O 5.257 2.979 16.203 . . . 1.0 . . . . . . . . . . . . A . 6 DA OP2 . . . . . . . . . rr_1r2l 1
. 1 . 190 . 1 1 6 DA P P 4.798 3.862 15.114 . . . 1.0 . . . . . . . . . . . . A . 6 DA P . . . . . . . . . rr_1r2l 1
. 1 . 191 . 1 1 7 DT C1' C -3.886 4.492 19.096 . . . 1.0 . . . . . . . . . . . . A . 7 DT C1' . . . . . . . . . rr_1r2l 1
. 1 . 192 . 1 1 7 DT C2 C -3.331 2.106 19.719 . . . 1.0 . . . . . . . . . . . . A . 7 DT C2 . . . . . . . . . rr_1r2l 1
. 1 . 193 . 1 1 7 DT C2' C -4.182 5.672 20.036 . . . 1.0 . . . . . . . . . . . . A . 7 DT C2' . . . . . . . . . rr_1r2l 1
. 1 . 194 . 1 1 7 DT C3' C -4.447 6.880 19.124 . . . 1.0 . . . . . . . . . . . . A . 7 DT C3' . . . . . . . . . rr_1r2l 1
. 1 . 195 . 1 1 7 DT C4 C -1.076 1.520 20.408 . . . 1.0 . . . . . . . . . . . . A . 7 DT C4 . . . . . . . . . rr_1r2l 1
. 1 . 196 . 1 1 7 DT C4' C -3.757 6.428 17.821 . . . 1.0 . . . . . . . . . . . . A . 7 DT C4' . . . . . . . . . rr_1r2l 1
. 1 . 197 . 1 1 7 DT C5 C -0.773 2.956 20.460 . . . 1.0 . . . . . . . . . . . . A . 7 DT C5 . . . . . . . . . rr_1r2l 1
. 1 . 198 . 1 1 7 DT C5' C -2.776 7.448 17.184 . . . 1.0 . . . . . . . . . . . . A . 7 DT C5' . . . . . . . . . rr_1r2l 1
. 1 . 199 . 1 1 7 DT C6 C -1.710 3.852 20.083 . . . 1.0 . . . . . . . . . . . . A . 7 DT C6 . . . . . . . . . rr_1r2l 1
. 1 . 200 . 1 1 7 DT C7 C 0.557 3.520 20.963 . . . 1.0 . . . . . . . . . . . . A . 7 DT C7 . . . . . . . . . rr_1r2l 1
. 1 . 201 . 1 1 7 DT H1' H -4.820 4.077 18.709 . . . 1.0 . . . . . . . . . . . . A . 7 DT H1' . . . . . . . . . rr_1r2l 1
. 1 . 202 . 1 1 7 DT H2' H -3.307 5.923 20.631 . . . 1.0 . . . . . . . . . . . . A . 7 DT H2' . . . . . . . . . rr_1r2l 1
. 1 . 203 . 1 1 7 DT H2'' H -5.002 5.453 20.709 . . . 1.0 . . . . . . . . . . . . A . 7 DT H2'' . . . . . . . . . rr_1r2l 1
. 1 . 204 . 1 1 7 DT H3 H -2.594 0.233 20.056 . . . 1.0 . . . . . . . . . . . . A . 7 DT H3 . . . . . . . . . rr_1r2l 1
. 1 . 205 . 1 1 7 DT H3' H -3.967 7.782 19.513 . . . 1.0 . . . . . . . . . . . . A . 7 DT H3' . . . . . . . . . rr_1r2l 1
. 1 . 206 . 1 1 7 DT H4' H -4.533 6.256 17.072 . . . 1.0 . . . . . . . . . . . . A . 7 DT H4' . . . . . . . . . rr_1r2l 1
. 1 . 207 . 1 1 7 DT H5' H -2.426 7.005 16.249 . . . 1.0 . . . . . . . . . . . . A . 7 DT H5' . . . . . . . . . rr_1r2l 1
. 1 . 208 . 1 1 7 DT H5'' H -3.339 8.350 16.937 . . . 1.0 . . . . . . . . . . . . A . 7 DT H5'' . . . . . . . . . rr_1r2l 1
. 1 . 209 . 1 1 7 DT H6 H -1.396 4.884 20.057 . . . 1.0 . . . . . . . . . . . . A . 7 DT H6 . . . . . . . . . rr_1r2l 1
. 1 . 210 . 1 1 7 DT H71 H 1.344 3.059 20.393 . . . 1.0 . . . . . . . . . . . . A . 7 DT H71 . . . . . . . . . rr_1r2l 1
. 1 . 211 . 1 1 7 DT H72 H 0.650 4.601 20.824 . . . 1.0 . . . . . . . . . . . . A . 7 DT H72 . . . . . . . . . rr_1r2l 1
. 1 . 212 . 1 1 7 DT H73 H 0.690 3.286 22.020 . . . 1.0 . . . . . . . . . . . . A . 7 DT H73 . . . . . . . . . rr_1r2l 1
. 1 . 213 . 1 1 7 DT N1 N -2.974 3.466 19.688 . . . 1.0 . . . . . . . . . . . . A . 7 DT N1 . . . . . . . . . rr_1r2l 1
. 1 . 214 . 1 1 7 DT N3 N -2.354 1.208 20.043 . . . 1.0 . . . . . . . . . . . . A . 7 DT N3 . . . . . . . . . rr_1r2l 1
. 1 . 215 . 1 1 7 DT O2 O -4.441 1.631 19.525 . . . 1.0 . . . . . . . . . . . . A . 7 DT O2 . . . . . . . . . rr_1r2l 1
. 1 . 216 . 1 1 7 DT O3' O -5.826 7.110 18.874 . . . 1.0 . . . . . . . . . . . . A . 7 DT O3' . . . . . . . . . rr_1r2l 1
. 1 . 217 . 1 1 7 DT O4 O -0.309 0.597 20.628 . . . 1.0 . . . . . . . . . . . . A . 7 DT O4 . . . . . . . . . rr_1r2l 1
. 1 . 218 . 1 1 7 DT O4' O -3.174 5.148 18.059 . . . 1.0 . . . . . . . . . . . . A . 7 DT O4' . . . . . . . . . rr_1r2l 1
. 1 . 219 . 1 1 7 DT O5' O -1.653 7.823 17.981 . . . 1.0 . . . . . . . . . . . . A . 7 DT O5' . . . . . . . . . rr_1r2l 1
. 1 . 220 . 1 1 7 DT OP1 O -1.011 9.897 16.690 . . . 1.0 . . . . . . . . . . . . A . 7 DT OP1 . . . . . . . . . rr_1r2l 1
. 1 . 221 . 1 1 7 DT OP2 O 0.614 8.892 18.369 . . . 1.0 . . . . . . . . . . . . A . 7 DT OP2 . . . . . . . . . rr_1r2l 1
. 1 . 222 . 1 1 7 DT P P -0.444 8.698 17.352 . . . 1.0 . . . . . . . . . . . . A . 7 DT P . . . . . . . . . rr_1r2l 1
. 1 . 223 . 1 1 8 DT C1' C -6.445 2.874 22.563 . . . 1.0 . . . . . . . . . . . . A . 8 DT C1' . . . . . . . . . rr_1r2l 1
. 1 . 224 . 1 1 8 DT C2 C -4.505 1.383 22.899 . . . 1.0 . . . . . . . . . . . . A . 8 DT C2 . . . . . . . . . rr_1r2l 1
. 1 . 225 . 1 1 8 DT C2' C -7.182 3.829 23.505 . . . 1.0 . . . . . . . . . . . . A . 8 DT C2' . . . . . . . . . rr_1r2l 1
. 1 . 226 . 1 1 8 DT C3' C -8.375 4.299 22.669 . . . 1.0 . . . . . . . . . . . . A . 8 DT C3' . . . . . . . . . rr_1r2l 1
. 1 . 227 . 1 1 8 DT C4 C -2.277 2.231 23.336 . . . 1.0 . . . . . . . . . . . . A . 8 DT C4 . . . . . . . . . rr_1r2l 1
. 1 . 228 . 1 1 8 DT C4' C -7.855 4.080 21.230 . . . 1.0 . . . . . . . . . . . . A . 8 DT C4' . . . . . . . . . rr_1r2l 1
. 1 . 229 . 1 1 8 DT C5 C -2.832 3.591 23.296 . . . 1.0 . . . . . . . . . . . . A . 8 DT C5 . . . . . . . . . rr_1r2l 1
. 1 . 230 . 1 1 8 DT C5' C -7.884 5.331 20.323 . . . 1.0 . . . . . . . . . . . . A . 8 DT C5' . . . . . . . . . rr_1r2l 1
. 1 . 231 . 1 1 8 DT C6 C -4.160 3.765 23.065 . . . 1.0 . . . . . . . . . . . . A . 8 DT C6 . . . . . . . . . rr_1r2l 1
. 1 . 232 . 1 1 8 DT C7 C -1.972 4.837 23.559 . . . 1.0 . . . . . . . . . . . . A . 8 DT C7 . . . . . . . . . rr_1r2l 1
. 1 . 233 . 1 1 8 DT H1' H -7.007 1.939 22.513 . . . 1.0 . . . . . . . . . . . . A . 8 DT H1' . . . . . . . . . rr_1r2l 1
. 1 . 234 . 1 1 8 DT H2' H -6.600 4.719 23.730 . . . 1.0 . . . . . . . . . . . . A . 8 DT H2' . . . . . . . . . rr_1r2l 1
. 1 . 235 . 1 1 8 DT H2'' H -7.467 3.340 24.433 . . . 1.0 . . . . . . . . . . . . A . 8 DT H2'' . . . . . . . . . rr_1r2l 1
. 1 . 236 . 1 1 8 DT H3 H -2.802 0.292 23.024 . . . 1.0 . . . . . . . . . . . . A . 8 DT H3 . . . . . . . . . rr_1r2l 1
. 1 . 237 . 1 1 8 DT H3' H -8.588 5.358 22.837 . . . 1.0 . . . . . . . . . . . . A . 8 DT H3' . . . . . . . . . rr_1r2l 1
. 1 . 238 . 1 1 8 DT H4' H -8.473 3.320 20.746 . . . 1.0 . . . . . . . . . . . . A . 8 DT H4' . . . . . . . . . rr_1r2l 1
. 1 . 239 . 1 1 8 DT H5' H -7.434 5.045 19.369 . . . 1.0 . . . . . . . . . . . . A . 8 DT H5' . . . . . . . . . rr_1r2l 1
. 1 . 240 . 1 1 8 DT H5'' H -8.923 5.608 20.137 . . . 1.0 . . . . . . . . . . . . A . 8 DT H5'' . . . . . . . . . rr_1r2l 1
. 1 . 241 . 1 1 8 DT H6 H -4.541 4.776 22.993 . . . 1.0 . . . . . . . . . . . . A . 8 DT H6 . . . . . . . . . rr_1r2l 1
. 1 . 242 . 1 1 8 DT H71 H -2.096 5.146 24.599 . . . 1.0 . . . . . . . . . . . . A . 8 DT H71 . . . . . . . . . rr_1r2l 1
. 1 . 243 . 1 1 8 DT H72 H -0.916 4.618 23.390 . . . 1.0 . . . . . . . . . . . . A . 8 DT H72 . . . . . . . . . rr_1r2l 1
. 1 . 244 . 1 1 8 DT H73 H -2.260 5.663 22.905 . . . 1.0 . . . . . . . . . . . . A . 8 DT H73 . . . . . . . . . rr_1r2l 1
. 1 . 245 . 1 1 8 DT N1 N -5.005 2.685 22.888 . . . 1.0 . . . . . . . . . . . . A . 8 DT N1 . . . . . . . . . rr_1r2l 1
. 1 . 246 . 1 1 8 DT N3 N -3.167 1.228 23.082 . . . 1.0 . . . . . . . . . . . . A . 8 DT N3 . . . . . . . . . rr_1r2l 1
. 1 . 247 . 1 1 8 DT O2 O -5.171 0.366 22.795 . . . 1.0 . . . . . . . . . . . . A . 8 DT O2 . . . . . . . . . rr_1r2l 1
. 1 . 248 . 1 1 8 DT O3' O -9.525 3.509 22.923 . . . 1.0 . . . . . . . . . . . . A . 8 DT O3' . . . . . . . . . rr_1r2l 1
. 1 . 249 . 1 1 8 DT O4 O -1.114 1.924 23.544 . . . 1.0 . . . . . . . . . . . . A . 8 DT O4 . . . . . . . . . rr_1r2l 1
. 1 . 250 . 1 1 8 DT O4' O -6.541 3.533 21.324 . . . 1.0 . . . . . . . . . . . . A . 8 DT O4' . . . . . . . . . rr_1r2l 1
. 1 . 251 . 1 1 8 DT O5' O -7.198 6.446 20.881 . . . 1.0 . . . . . . . . . . . . A . 8 DT O5' . . . . . . . . . rr_1r2l 1
. 1 . 252 . 1 1 8 DT OP1 O -8.053 8.170 19.281 . . . 1.0 . . . . . . . . . . . . A . 8 DT OP1 . . . . . . . . . rr_1r2l 1
. 1 . 253 . 1 1 8 DT OP2 O -6.082 8.698 20.804 . . . 1.0 . . . . . . . . . . . . A . 8 DT OP2 . . . . . . . . . rr_1r2l 1
. 1 . 254 . 1 1 8 DT P P -6.823 7.719 19.976 . . . 1.0 . . . . . . . . . . . . A . 8 DT P . . . . . . . . . rr_1r2l 1
. 1 . 255 . 1 1 9 DT C1' C -7.443 -0.363 26.845 . . . 1.0 . . . . . . . . . . . . A . 9 DT C1' . . . . . . . . . rr_1r2l 1
. 1 . 256 . 1 1 9 DT C2 C -5.086 -0.117 26.259 . . . 1.0 . . . . . . . . . . . . A . 9 DT C2 . . . . . . . . . rr_1r2l 1
. 1 . 257 . 1 1 9 DT C2' C -8.463 -0.202 27.980 . . . 1.0 . . . . . . . . . . . . A . 9 DT C2' . . . . . . . . . rr_1r2l 1
. 1 . 258 . 1 1 9 DT C3' C -9.749 0.330 27.379 . . . 1.0 . . . . . . . . . . . . A . 9 DT C3' . . . . . . . . . rr_1r2l 1
. 1 . 259 . 1 1 9 DT C4 C -3.927 1.993 26.298 . . . 1.0 . . . . . . . . . . . . A . 9 DT C4 . . . . . . . . . rr_1r2l 1
. 1 . 260 . 1 1 9 DT C4' C -9.529 0.017 25.884 . . . 1.0 . . . . . . . . . . . . A . 9 DT C4' . . . . . . . . . rr_1r2l 1
. 1 . 261 . 1 1 9 DT C5 C -5.205 2.640 26.626 . . . 1.0 . . . . . . . . . . . . A . 9 DT C5 . . . . . . . . . rr_1r2l 1
. 1 . 262 . 1 1 9 DT C5' C -10.173 1.041 24.919 . . . 1.0 . . . . . . . . . . . . A . 9 DT C5' . . . . . . . . . rr_1r2l 1
. 1 . 263 . 1 1 9 DT C6 C -6.308 1.872 26.859 . . . 1.0 . . . . . . . . . . . . A . 9 DT C6 . . . . . . . . . rr_1r2l 1
. 1 . 264 . 1 1 9 DT C7 C -5.330 4.170 26.691 . . . 1.0 . . . . . . . . . . . . A . 9 DT C7 . . . . . . . . . rr_1r2l 1
. 1 . 265 . 1 1 9 DT H1' H -7.120 -1.390 26.983 . . . 1.0 . . . . . . . . . . . . A . 9 DT H1' . . . . . . . . . rr_1r2l 1
. 1 . 266 . 1 1 9 DT H2' H -8.140 0.417 28.821 . . . 1.0 . . . . . . . . . . . . A . 9 DT H2' . . . . . . . . . rr_1r2l 1
. 1 . 267 . 1 1 9 DT H2'' H -8.758 -1.214 28.281 . . . 1.0 . . . . . . . . . . . . A . 9 DT H2'' . . . . . . . . . rr_1r2l 1
. 1 . 268 . 1 1 9 DT H3 H -3.150 0.183 25.747 . . . 1.0 . . . . . . . . . . . . A . 9 DT H3 . . . . . . . . . rr_1r2l 1
. 1 . 269 . 1 1 9 DT H3' H -9.784 1.403 27.537 . . . 1.0 . . . . . . . . . . . . A . 9 DT H3' . . . . . . . . . rr_1r2l 1
. 1 . 270 . 1 1 9 DT H4' H -9.947 -0.969 25.681 . . . 1.0 . . . . . . . . . . . . A . 9 DT H4' . . . . . . . . . rr_1r2l 1
. 1 . 271 . 1 1 9 DT H5' H -9.896 0.776 23.896 . . . 1.0 . . . . . . . . . . . . A . 9 DT H5' . . . . . . . . . rr_1r2l 1
. 1 . 272 . 1 1 9 DT H5'' H -11.256 0.953 25.016 . . . 1.0 . . . . . . . . . . . . A . 9 DT H5'' . . . . . . . . . rr_1r2l 1
. 1 . 273 . 1 1 9 DT H6 H -7.267 2.334 27.073 . . . 1.0 . . . . . . . . . . . . A . 9 DT H6 . . . . . . . . . rr_1r2l 1
. 1 . 274 . 1 1 9 DT H71 H -4.513 4.641 26.136 . . . 1.0 . . . . . . . . . . . . A . 9 DT H71 . . . . . . . . . rr_1r2l 1
. 1 . 275 . 1 1 9 DT H72 H -6.269 4.504 26.242 . . . 1.0 . . . . . . . . . . . . A . 9 DT H72 . . . . . . . . . rr_1r2l 1
. 1 . 276 . 1 1 9 DT H73 H -5.288 4.509 27.725 . . . 1.0 . . . . . . . . . . . . A . 9 DT H73 . . . . . . . . . rr_1r2l 1
. 1 . 277 . 1 1 9 DT N1 N -6.234 0.496 26.773 . . . 1.0 . . . . . . . . . . . . A . 9 DT N1 . . . . . . . . . rr_1r2l 1
. 1 . 278 . 1 1 9 DT N3 N -3.992 0.657 26.044 . . . 1.0 . . . . . . . . . . . . A . 9 DT N3 . . . . . . . . . rr_1r2l 1
. 1 . 279 . 1 1 9 DT O2 O -4.981 -1.311 26.026 . . . 1.0 . . . . . . . . . . . . A . 9 DT O2 . . . . . . . . . rr_1r2l 1
. 1 . 280 . 1 1 9 DT O3' O -10.882 -0.362 27.914 . . . 1.0 . . . . . . . . . . . . A . 9 DT O3' . . . . . . . . . rr_1r2l 1
. 1 . 281 . 1 1 9 DT O4 O -2.835 2.536 26.243 . . . 1.0 . . . . . . . . . . . . A . 9 DT O4 . . . . . . . . . rr_1r2l 1
. 1 . 282 . 1 1 9 DT O4' O -8.134 -0.131 25.639 . . . 1.0 . . . . . . . . . . . . A . 9 DT O4' . . . . . . . . . rr_1r2l 1
. 1 . 283 . 1 1 9 DT O5' O -9.785 2.385 25.189 . . . 1.0 . . . . . . . . . . . . A . 9 DT O5' . . . . . . . . . rr_1r2l 1
. 1 . 284 . 1 1 9 DT OP1 O -11.771 3.362 24.008 . . . 1.0 . . . . . . . . . . . . A . 9 DT OP1 . . . . . . . . . rr_1r2l 1
. 1 . 285 . 1 1 9 DT OP2 O -9.970 4.873 24.984 . . . 1.0 . . . . . . . . . . . . A . 9 DT OP2 . . . . . . . . . rr_1r2l 1
. 1 . 286 . 1 1 9 DT P P -10.341 3.613 24.302 . . . 1.0 . . . . . . . . . . . . A . 9 DT P . . . . . . . . . rr_1r2l 1
. 1 . 287 . 1 1 10 DA C1' C -7.570 -2.853 31.576 . . . 1.0 . . . . . . . . . . . . A . 10 DA C1' . . . . . . . . . rr_1r2l 1
. 1 . 288 . 1 1 10 DA C2 C -4.121 -2.267 29.097 . . . 1.0 . . . . . . . . . . . . A . 10 DA C2 . . . . . . . . . rr_1r2l 1
. 1 . 289 . 1 1 10 DA C2' C -8.626 -2.661 32.670 . . . 1.0 . . . . . . . . . . . . A . 10 DA C2' . . . . . . . . . rr_1r2l 1
. 1 . 290 . 1 1 10 DA C3' C -9.634 -3.760 32.373 . . . 1.0 . . . . . . . . . . . . A . 10 DA C3' . . . . . . . . . rr_1r2l 1
. 1 . 291 . 1 1 10 DA C4 C -5.815 -1.551 30.344 . . . 1.0 . . . . . . . . . . . . A . 10 DA C4 . . . . . . . . . rr_1r2l 1
. 1 . 292 . 1 1 10 DA C4' C -9.530 -3.799 30.827 . . . 1.0 . . . . . . . . . . . . A . 10 DA C4' . . . . . . . . . rr_1r2l 1
. 1 . 293 . 1 1 10 DA C5 C -5.455 -0.232 30.267 . . . 1.0 . . . . . . . . . . . . A . 10 DA C5 . . . . . . . . . rr_1r2l 1
. 1 . 294 . 1 1 10 DA C5' C -10.513 -2.895 30.036 . . . 1.0 . . . . . . . . . . . . A . 10 DA C5' . . . . . . . . . rr_1r2l 1
. 1 . 295 . 1 1 10 DA C6 C -4.299 -0.033 29.481 . . . 1.0 . . . . . . . . . . . . A . 10 DA C6 . . . . . . . . . rr_1r2l 1
. 1 . 296 . 1 1 10 DA C8 C -7.256 -0.290 31.348 . . . 1.0 . . . . . . . . . . . . A . 10 DA C8 . . . . . . . . . rr_1r2l 1
. 1 . 297 . 1 1 10 DA H1' H -6.814 -3.551 31.944 . . . 1.0 . . . . . . . . . . . . A . 10 DA H1' . . . . . . . . . rr_1r2l 1
. 1 . 298 . 1 1 10 DA H2 H -3.572 -3.076 28.649 . . . 1.0 . . . . . . . . . . . . A . 10 DA H2 . . . . . . . . . rr_1r2l 1
. 1 . 299 . 1 1 10 DA H2' H -9.166 -1.724 32.566 . . . 1.0 . . . . . . . . . . . . A . 10 DA H2' . . . . . . . . . rr_1r2l 1
. 1 . 300 . 1 1 10 DA H2'' H -8.209 -2.746 33.670 . . . 1.0 . . . . . . . . . . . . A . 10 DA H2'' . . . . . . . . . rr_1r2l 1
. 1 . 301 . 1 1 10 DA H3' H -10.644 -3.486 32.685 . . . 1.0 . . . . . . . . . . . . A . 10 DA H3' . . . . . . . . . rr_1r2l 1
. 1 . 302 . 1 1 10 DA H4' H -9.701 -4.824 30.495 . . . 1.0 . . . . . . . . . . . . A . 10 DA H4' . . . . . . . . . rr_1r2l 1
. 1 . 303 . 1 1 10 DA H5' H -10.380 -3.120 28.974 . . . 1.0 . . . . . . . . . . . . A . 10 DA H5' . . . . . . . . . rr_1r2l 1
. 1 . 304 . 1 1 10 DA H5'' H -11.528 -3.178 30.317 . . . 1.0 . . . . . . . . . . . . A . 10 DA H5'' . . . . . . . . . rr_1r2l 1
. 1 . 305 . 1 1 10 DA H61 H -2.854 1.061 28.732 . . . 1.0 . . . . . . . . . . . . A . 10 DA H61 . . . . . . . . . rr_1r2l 1
. 1 . 306 . 1 1 10 DA H62 H -4.084 1.964 29.643 . . . 1.0 . . . . . . . . . . . . A . 10 DA H62 . . . . . . . . . rr_1r2l 1
. 1 . 307 . 1 1 10 DA H8 H -8.128 0.029 31.874 . . . 1.0 . . . . . . . . . . . . A . 10 DA H8 . . . . . . . . . rr_1r2l 1
. 1 . 308 . 1 1 10 DA N1 N -3.661 -1.041 28.908 . . . 1.0 . . . . . . . . . . . . A . 10 DA N1 . . . . . . . . . rr_1r2l 1
. 1 . 309 . 1 1 10 DA N3 N -5.177 -2.616 29.808 . . . 1.0 . . . . . . . . . . . . A . 10 DA N3 . . . . . . . . . rr_1r2l 1
. 1 . 310 . 1 1 10 DA N6 N -3.731 1.121 29.234 . . . 1.0 . . . . . . . . . . . . A . 10 DA N6 . . . . . . . . . rr_1r2l 1
. 1 . 311 . 1 1 10 DA N7 N -6.363 0.586 30.967 . . . 1.0 . . . . . . . . . . . . A . 10 DA N7 . . . . . . . . . rr_1r2l 1
. 1 . 312 . 1 1 10 DA N9 N -6.924 -1.601 31.132 . . . 1.0 . . . . . . . . . . . . A . 10 DA N9 . . . . . . . . . rr_1r2l 1
. 1 . 313 . 1 1 10 DA O3' O -9.270 -5.010 32.955 . . . 1.0 . . . . . . . . . . . . A . 10 DA O3' . . . . . . . . . rr_1r2l 1
. 1 . 314 . 1 1 10 DA O4' O -8.204 -3.445 30.466 . . . 1.0 . . . . . . . . . . . . A . 10 DA O4' . . . . . . . . . rr_1r2l 1
. 1 . 315 . 1 1 10 DA O5' O -10.320 -1.494 30.225 . . . 1.0 . . . . . . . . . . . . A . 10 DA O5' . . . . . . . . . rr_1r2l 1
. 1 . 316 . 1 1 10 DA OP1 O -12.651 -0.874 29.613 . . . 1.0 . . . . . . . . . . . . A . 10 DA OP1 . . . . . . . . . rr_1r2l 1
. 1 . 317 . 1 1 10 DA OP2 O -10.908 0.917 30.090 . . . 1.0 . . . . . . . . . . . . A . 10 DA OP2 . . . . . . . . . rr_1r2l 1
. 1 . 318 . 1 1 10 DA P P -11.255 -0.390 29.490 . . . 1.0 . . . . . . . . . . . . A . 10 DA P . . . . . . . . . rr_1r2l 1
. 1 . 319 . 1 1 11 DNR C1' C -4.396 -4.170 34.613 . . . 1.0 . . . . . . . . . . . . A . 11 DNR C1' . . . . . . . . . rr_1r2l 1
. 1 . 320 . 1 1 11 DNR C2 C -4.310 -2.055 33.424 . . . 1.0 . . . . . . . . . . . . A . 11 DNR C2 . . . . . . . . . rr_1r2l 1
. 1 . 321 . 1 1 11 DNR C2' C -4.584 -4.724 36.017 . . . 1.0 . . . . . . . . . . . . A . 11 DNR C2' . . . . . . . . . rr_1r2l 1
. 1 . 322 . 1 1 11 DNR C3' C -4.683 -6.230 35.785 . . . 1.0 . . . . . . . . . . . . A . 11 DNR C3' . . . . . . . . . rr_1r2l 1
. 1 . 323 . 1 1 11 DNR C4 C -5.619 -0.182 34.050 . . . 1.0 . . . . . . . . . . . . A . 11 DNR C4 . . . . . . . . . rr_1r2l 1
. 1 . 324 . 1 1 11 DNR C4' C -5.391 -6.271 34.402 . . . 1.0 . . . . . . . . . . . . A . 11 DNR C4' . . . . . . . . . rr_1r2l 1
. 1 . 325 . 1 1 11 DNR C5 C -6.295 -0.895 34.992 . . . 1.0 . . . . . . . . . . . . A . 11 DNR C5 . . . . . . . . . rr_1r2l 1
. 1 . 326 . 1 1 11 DNR C5' C -6.922 -6.490 34.350 . . . 1.0 . . . . . . . . . . . . A . 11 DNR C5' . . . . . . . . . rr_1r2l 1
. 1 . 327 . 1 1 11 DNR C6 C -5.982 -2.207 35.168 . . . 1.0 . . . . . . . . . . . . A . 11 DNR C6 . . . . . . . . . rr_1r2l 1
. 1 . 328 . 1 1 11 DNR H1' H -3.328 -4.265 34.353 . . . 1.0 . . . . . . . . . . . . A . 11 DNR H1' . . . . . . . . . rr_1r2l 1
. 1 . 329 . 1 1 11 DNR H2' H -5.539 -4.411 36.447 . . . 1.0 . . . . . . . . . . . . A . 11 DNR H2' . . . . . . . . . rr_1r2l 1
. 1 . 330 . 1 1 11 DNR H2'' H -3.759 -4.449 36.684 . . . 1.0 . . . . . . . . . . . . A . 11 DNR H2'' . . . . . . . . . rr_1r2l 1
. 1 . 331 . 1 1 11 DNR H3' H -5.311 -6.702 36.554 . . . 1.0 . . . . . . . . . . . . A . 11 DNR H3' . . . . . . . . . rr_1r2l 1
. 1 . 332 . 1 1 11 DNR H4' H -4.922 -7.065 33.804 . . . 1.0 . . . . . . . . . . . . A . 11 DNR H4' . . . . . . . . . rr_1r2l 1
. 1 . 333 . 1 1 11 DNR H41 H -6.882 1.310 33.562 . . . 1.0 . . . . . . . . . . . . A . 11 DNR H41 . . . . . . . . . rr_1r2l 1
. 1 . 334 . 1 1 11 DNR H42 H -5.384 1.447 32.903 . . . 1.0 . . . . . . . . . . . . A . 11 DNR H42 . . . . . . . . . rr_1r2l 1
. 1 . 335 . 1 1 11 DNR H5 H -7.080 -0.441 35.576 . . . 1.0 . . . . . . . . . . . . A . 11 DNR H5 . . . . . . . . . rr_1r2l 1
. 1 . 336 . 1 1 11 DNR H5' H -7.164 -6.618 33.291 . . . 1.0 . . . . . . . . . . . . A . 11 DNR H5' . . . . . . . . . rr_1r2l 1
. 1 . 337 . 1 1 11 DNR H5'' H -7.165 -7.415 34.871 . . . 1.0 . . . . . . . . . . . . A . 11 DNR H5'' . . . . . . . . . rr_1r2l 1
. 1 . 338 . 1 1 11 DNR H6 H -6.574 -2.805 35.849 . . . 1.0 . . . . . . . . . . . . A . 11 DNR H6 . . . . . . . . . rr_1r2l 1
. 1 . 339 . 1 1 11 DNR HN3 H -4.165 -0.233 32.589 . . . 1.0 . . . . . . . . . . . . A . 11 DNR HN3 . . . . . . . . . rr_1r2l 1
. 1 . 340 . 1 1 11 DNR N1 N -4.870 -2.810 34.390 . . . 1.0 . . . . . . . . . . . . A . 11 DNR N1 . . . . . . . . . rr_1r2l 1
. 1 . 341 . 1 1 11 DNR N3 N -4.661 -0.774 33.290 . . . 1.0 . . . . . . . . . . . . A . 11 DNR N3 . . . . . . . . . rr_1r2l 1
. 1 . 342 . 1 1 11 DNR N4 N -5.901 1.187 33.761 . . . 1.0 . . . . . . . . . . . . A . 11 DNR N4 . . . . . . . . . rr_1r2l 1
. 1 . 343 . 1 1 11 DNR O2 O -3.442 -2.485 32.680 . . . 1.0 . . . . . . . . . . . . A . 11 DNR O2 . . . . . . . . . rr_1r2l 1
. 1 . 344 . 1 1 11 DNR O3' O -3.400 -6.890 35.682 . . . 1.0 . . . . . . . . . . . . A . 11 DNR O3' . . . . . . . . . rr_1r2l 1
. 1 . 345 . 1 1 11 DNR O4' O -5.081 -5.043 33.742 . . . 1.0 . . . . . . . . . . . . A . 11 DNR O4' . . . . . . . . . rr_1r2l 1
. 1 . 346 . 1 1 11 DNR O5' O -7.686 -5.409 34.882 . . . 1.0 . . . . . . . . . . . . A . 11 DNR O5' . . . . . . . . . rr_1r2l 1
. 1 . 347 . 1 1 11 DNR OP1 O -9.845 -6.633 34.795 . . . 1.0 . . . . . . . . . . . . A . 11 DNR OP1 . . . . . . . . . rr_1r2l 1
. 1 . 348 . 1 1 11 DNR OP2 O -9.807 -4.130 35.279 . . . 1.0 . . . . . . . . . . . . A . 11 DNR OP2 . . . . . . . . . rr_1r2l 1
. 1 . 349 . 1 1 11 DNR P P -9.259 -5.294 34.548 . . . 1.0 . . . . . . . . . . . . A . 11 DNR P . . . . . . . . . rr_1r2l 1
. 1 . 350 . 1 1 12 DNR C1' C 0.640 -2.648 35.946 . . . 1.0 . . . . . . . . . . . . A . 12 DNR C1' . . . . . . . . . rr_1r2l 1
. 1 . 351 . 1 1 12 DNR C2 C -0.067 -0.301 36.186 . . . 1.0 . . . . . . . . . . . . A . 12 DNR C2 . . . . . . . . . rr_1r2l 1
. 1 . 352 . 1 1 12 DNR C2' C 0.874 -3.408 37.238 . . . 1.0 . . . . . . . . . . . . A . 12 DNR C2' . . . . . . . . . rr_1r2l 1
. 1 . 353 . 1 1 12 DNR C3' C 1.369 -4.761 36.737 . . . 1.0 . . . . . . . . . . . . A . 12 DNR C3' . . . . . . . . . rr_1r2l 1
. 1 . 354 . 1 1 12 DNR C4 C -2.364 0.256 36.285 . . . 1.0 . . . . . . . . . . . . A . 12 DNR C4 . . . . . . . . . rr_1r2l 1
. 1 . 355 . 1 1 12 DNR C4' C 0.639 -4.930 35.395 . . . 1.0 . . . . . . . . . . . . A . 12 DNR C4' . . . . . . . . . rr_1r2l 1
. 1 . 356 . 1 1 12 DNR C5 C -2.735 -1.046 36.277 . . . 1.0 . . . . . . . . . . . . A . 12 DNR C5 . . . . . . . . . rr_1r2l 1
. 1 . 357 . 1 1 12 DNR C5' C -0.561 -5.904 35.449 . . . 1.0 . . . . . . . . . . . . A . 12 DNR C5' . . . . . . . . . rr_1r2l 1
. 1 . 358 . 1 1 12 DNR C6 C -1.781 -2.008 36.191 . . . 1.0 . . . . . . . . . . . . A . 12 DNR C6 . . . . . . . . . rr_1r2l 1
. 1 . 359 . 1 1 12 DNR H1' H 1.597 -2.238 35.581 . . . 1.0 . . . . . . . . . . . . A . 12 DNR H1' . . . . . . . . . rr_1r2l 1
. 1 . 360 . 1 1 12 DNR H2' H -0.085 -3.548 37.758 . . . 1.0 . . . . . . . . . . . . A . 12 DNR H2' . . . . . . . . . rr_1r2l 1
. 1 . 361 . 1 1 12 DNR H2'' H 1.600 -2.895 37.883 . . . 1.0 . . . . . . . . . . . . A . 12 DNR H2'' . . . . . . . . . rr_1r2l 1
. 1 . 362 . 1 1 12 DNR H3' H 1.085 -5.565 37.431 . . . 1.0 . . . . . . . . . . . . A . 12 DNR H3' . . . . . . . . . rr_1r2l 1
. 1 . 363 . 1 1 12 DNR H4' H 1.340 -5.284 34.625 . . . 1.0 . . . . . . . . . . . . A . 12 DNR H4' . . . . . . . . . rr_1r2l 1
. 1 . 364 . 1 1 12 DNR H41 H -3.907 1.346 35.502 . . . 1.0 . . . . . . . . . . . . A . 12 DNR H41 . . . . . . . . . rr_1r2l 1
. 1 . 365 . 1 1 12 DNR H42 H -2.986 2.136 36.791 . . . 1.0 . . . . . . . . . . . . A . 12 DNR H42 . . . . . . . . . rr_1r2l 1
. 1 . 366 . 1 1 12 DNR H5 H -3.775 -1.317 36.344 . . . 1.0 . . . . . . . . . . . . A . 12 DNR H5 . . . . . . . . . rr_1r2l 1
. 1 . 367 . 1 1 12 DNR H5' H -1.160 -5.755 34.547 . . . 1.0 . . . . . . . . . . . . A . 12 DNR H5' . . . . . . . . . rr_1r2l 1
. 1 . 368 . 1 1 12 DNR H5'' H -0.140 -6.911 35.418 . . . 1.0 . . . . . . . . . . . . A . 12 DNR H5'' . . . . . . . . . rr_1r2l 1
. 1 . 369 . 1 1 12 DNR H6 H -2.056 -3.054 36.174 . . . 1.0 . . . . . . . . . . . . A . 12 DNR H6 . . . . . . . . . rr_1r2l 1
. 1 . 370 . 1 1 12 DNR HN3 H -0.784 1.582 36.267 . . . 1.0 . . . . . . . . . . . . A . 12 DNR HN3 . . . . . . . . . rr_1r2l 1
. 1 . 371 . 1 1 12 DNR N1 N -0.362 -1.612 36.112 . . . 1.0 . . . . . . . . . . . . A . 12 DNR N1 . . . . . . . . . rr_1r2l 1
. 1 . 372 . 1 1 12 DNR N3 N -1.044 0.611 36.236 . . . 1.0 . . . . . . . . . . . . A . 12 DNR N3 . . . . . . . . . rr_1r2l 1
. 1 . 373 . 1 1 12 DNR N4 N -3.336 1.298 36.340 . . . 1.0 . . . . . . . . . . . . A . 12 DNR N4 . . . . . . . . . rr_1r2l 1
. 1 . 374 . 1 1 12 DNR O2 O 1.098 0.096 36.231 . . . 1.0 . . . . . . . . . . . . A . 12 DNR O2 . . . . . . . . . rr_1r2l 1
. 1 . 375 . 1 1 12 DNR O3' O 2.783 -4.734 36.546 . . . 1.0 . . . . . . . . . . . . A . 12 DNR O3' . . . . . . . . . rr_1r2l 1
. 1 . 376 . 1 1 12 DNR O4' O 0.226 -3.618 34.999 . . . 1.0 . . . . . . . . . . . . A . 12 DNR O4' . . . . . . . . . rr_1r2l 1
. 1 . 377 . 1 1 12 DNR O5' O -1.360 -5.743 36.622 . . . 1.0 . . . . . . . . . . . . A . 12 DNR O5' . . . . . . . . . rr_1r2l 1
. 1 . 378 . 1 1 12 DNR OP1 O -1.745 -8.133 37.133 . . . 1.0 . . . . . . . . . . . . A . 12 DNR OP1 . . . . . . . . . rr_1r2l 1
. 1 . 379 . 1 1 12 DNR OP2 O -3.225 -6.351 38.183 . . . 1.0 . . . . . . . . . . . . A . 12 DNR OP2 . . . . . . . . . rr_1r2l 1
. 1 . 380 . 1 1 12 DNR P P -2.467 -6.846 37.011 . . . 1.0 . . . . . . . . . . . . A . 12 DNR P . . . . . . . . . rr_1r2l 1
. 1 . 381 . 2 2 1 DC C1' C 0.728 1.463 0.331 . . . 1.0 . . . . . . . . . . . . B . 1 DC C1' . . . . . . . . . rr_1r2l 1
. 1 . 382 . 2 2 1 DC C2 C -0.824 -0.268 1.103 . . . 1.0 . . . . . . . . . . . . B . 1 DC C2 . . . . . . . . . rr_1r2l 1
. 1 . 383 . 2 2 1 DC C2' C 1.583 2.330 1.247 . . . 1.0 . . . . . . . . . . . . B . 1 DC C2' . . . . . . . . . rr_1r2l 1
. 1 . 384 . 2 2 1 DC C3' C 2.095 3.370 0.261 . . . 1.0 . . . . . . . . . . . . B . 1 DC C3' . . . . . . . . . rr_1r2l 1
. 1 . 385 . 2 2 1 DC C4 C -0.173 -2.413 1.530 . . . 1.0 . . . . . . . . . . . . B . 1 DC C4 . . . . . . . . . rr_1r2l 1
. 1 . 386 . 2 2 1 DC C4' C 2.254 2.522 -1.019 . . . 1.0 . . . . . . . . . . . . B . 1 DC C4' . . . . . . . . . rr_1r2l 1
. 1 . 387 . 2 2 1 DC C5 C 1.189 -2.119 1.269 . . . 1.0 . . . . . . . . . . . . B . 1 DC C5 . . . . . . . . . rr_1r2l 1
. 1 . 388 . 2 2 1 DC C5' C 3.704 2.132 -1.366 . . . 1.0 . . . . . . . . . . . . B . 1 DC C5' . . . . . . . . . rr_1r2l 1
. 1 . 389 . 2 2 1 DC C6 C 1.484 -0.843 0.929 . . . 1.0 . . . . . . . . . . . . B . 1 DC C6 . . . . . . . . . rr_1r2l 1
. 1 . 390 . 2 2 1 DC H1' H -0.186 2.016 0.102 . . . 1.0 . . . . . . . . . . . . B . 1 DC H1' . . . . . . . . . rr_1r2l 1
. 1 . 391 . 2 2 1 DC H2' H 2.436 1.804 1.669 . . . 1.0 . . . . . . . . . . . . B . 1 DC H2' . . . . . . . . . rr_1r2l 1
. 1 . 392 . 2 2 1 DC H2'' H 1.008 2.771 2.056 . . . 1.0 . . . . . . . . . . . . B . 1 DC H2'' . . . . . . . . . rr_1r2l 1
. 1 . 393 . 2 2 1 DC H3' H 3.046 3.809 0.572 . . . 1.0 . . . . . . . . . . . . B . 1 DC H3' . . . . . . . . . rr_1r2l 1
. 1 . 394 . 2 2 1 DC H4' H 1.873 3.092 -1.868 . . . 1.0 . . . . . . . . . . . . B . 1 DC H4' . . . . . . . . . rr_1r2l 1
. 1 . 395 . 2 2 1 DC H41 H -1.577 -3.717 1.440 . . . 1.0 . . . . . . . . . . . . B . 1 DC H41 . . . . . . . . . rr_1r2l 1
. 1 . 396 . 2 2 1 DC H42 H 0.052 -4.401 1.674 . . . 1.0 . . . . . . . . . . . . B . 1 DC H42 . . . . . . . . . rr_1r2l 1
. 1 . 397 . 2 2 1 DC H5 H 1.956 -2.871 1.323 . . . 1.0 . . . . . . . . . . . . B . 1 DC H5 . . . . . . . . . rr_1r2l 1
. 1 . 398 . 2 2 1 DC H5' H 3.678 1.551 -2.291 . . . 1.0 . . . . . . . . . . . . B . 1 DC H5' . . . . . . . . . rr_1r2l 1
. 1 . 399 . 2 2 1 DC H5'' H 4.275 3.045 -1.544 . . . 1.0 . . . . . . . . . . . . B . 1 DC H5'' . . . . . . . . . rr_1r2l 1
. 1 . 400 . 2 2 1 DC H6 H 2.505 -0.603 0.655 . . . 1.0 . . . . . . . . . . . . B . 1 DC H6 . . . . . . . . . rr_1r2l 1
. 1 . 401 . 2 2 1 DC N1 N 0.490 0.104 0.861 . . . 1.0 . . . . . . . . . . . . B . 1 DC N1 . . . . . . . . . rr_1r2l 1
. 1 . 402 . 2 2 1 DC N3 N -1.136 -1.544 1.378 . . . 1.0 . . . . . . . . . . . . B . 1 DC N3 . . . . . . . . . rr_1r2l 1
. 1 . 403 . 2 2 1 DC N4 N -0.573 -3.639 1.527 . . . 1.0 . . . . . . . . . . . . B . 1 DC N4 . . . . . . . . . rr_1r2l 1
. 1 . 404 . 2 2 1 DC O2 O -1.752 0.531 1.045 . . . 1.0 . . . . . . . . . . . . B . 1 DC O2 . . . . . . . . . rr_1r2l 1
. 1 . 405 . 2 2 1 DC O3' O 1.114 4.360 0.015 . . . 1.0 . . . . . . . . . . . . B . 1 DC O3' . . . . . . . . . rr_1r2l 1
. 1 . 406 . 2 2 1 DC O4' O 1.451 1.355 -0.880 . . . 1.0 . . . . . . . . . . . . B . 1 DC O4' . . . . . . . . . rr_1r2l 1
. 1 . 407 . 2 2 1 DC O5' O 4.336 1.375 -0.350 . . . 1.0 . . . . . . . . . . . . B . 1 DC O5' . . . . . . . . . rr_1r2l 1
. 1 . 408 . 2 2 1 DC OP1 O 6.729 1.855 -0.874 . . . 1.0 . . . . . . . . . . . . B . 1 DC OP1 . . . . . . . . . rr_1r2l 1
. 1 . 409 . 2 2 1 DC OP2 O 5.668 -0.332 -1.587 . . . 1.0 . . . . . . . . . . . . B . 1 DC OP2 . . . . . . . . . rr_1r2l 1
. 1 . 410 . 2 2 1 DC P P 5.797 0.741 -0.572 . . . 1.0 . . . . . . . . . . . . B . 1 DC P . . . . . . . . . rr_1r2l 1
. 1 . 411 . 2 2 2 DC C1' C -3.197 2.766 3.403 . . . 1.0 . . . . . . . . . . . . B . 2 DC C1' . . . . . . . . . rr_1r2l 1
. 1 . 412 . 2 2 2 DC C2 C -2.886 0.464 4.162 . . . 1.0 . . . . . . . . . . . . B . 2 DC C2 . . . . . . . . . rr_1r2l 1
. 1 . 413 . 2 2 2 DC C2' C -3.165 4.121 4.093 . . . 1.0 . . . . . . . . . . . . B . 2 DC C2' . . . . . . . . . rr_1r2l 1
. 1 . 414 . 2 2 2 DC C3' C -3.629 5.024 2.954 . . . 1.0 . . . . . . . . . . . . B . 2 DC C3' . . . . . . . . . rr_1r2l 1
. 1 . 415 . 2 2 2 DC C4 C -0.825 -0.450 4.491 . . . 1.0 . . . . . . . . . . . . B . 2 DC C4 . . . . . . . . . rr_1r2l 1
. 1 . 416 . 2 2 2 DC C4' C -3.032 4.318 1.718 . . . 1.0 . . . . . . . . . . . . B . 2 DC C4' . . . . . . . . . rr_1r2l 1
. 1 . 417 . 2 2 2 DC C5 C -0.169 0.773 4.220 . . . 1.0 . . . . . . . . . . . . B . 2 DC C5 . . . . . . . . . rr_1r2l 1
. 1 . 418 . 2 2 2 DC C5' C -1.817 4.997 1.050 . . . 1.0 . . . . . . . . . . . . B . 2 DC C5' . . . . . . . . . rr_1r2l 1
. 1 . 419 . 2 2 2 DC C6 C -0.955 1.847 3.977 . . . 1.0 . . . . . . . . . . . . B . 2 DC C6 . . . . . . . . . rr_1r2l 1
. 1 . 420 . 2 2 2 DC H1' H -4.253 2.492 3.372 . . . 1.0 . . . . . . . . . . . . B . 2 DC H1' . . . . . . . . . rr_1r2l 1
. 1 . 421 . 2 2 2 DC H2' H -2.173 4.434 4.402 . . . 1.0 . . . . . . . . . . . . B . 2 DC H2' . . . . . . . . . rr_1r2l 1
. 1 . 422 . 2 2 2 DC H2'' H -3.833 4.147 4.955 . . . 1.0 . . . . . . . . . . . . B . 2 DC H2'' . . . . . . . . . rr_1r2l 1
. 1 . 423 . 2 2 2 DC H3' H -3.269 6.050 3.059 . . . 1.0 . . . . . . . . . . . . B . 2 DC H3' . . . . . . . . . rr_1r2l 1
. 1 . 424 . 2 2 2 DC H4' H -3.794 4.298 0.935 . . . 1.0 . . . . . . . . . . . . B . 2 DC H4' . . . . . . . . . rr_1r2l 1
. 1 . 425 . 2 2 2 DC H41 H -0.742 -2.346 4.686 . . . 1.0 . . . . . . . . . . . . B . 2 DC H41 . . . . . . . . . rr_1r2l 1
. 1 . 426 . 2 2 2 DC H42 H 0.817 -1.518 4.824 . . . 1.0 . . . . . . . . . . . . B . 2 DC H42 . . . . . . . . . rr_1r2l 1
. 1 . 427 . 2 2 2 DC H5 H 0.904 0.862 4.211 . . . 1.0 . . . . . . . . . . . . B . 2 DC H5 . . . . . . . . . rr_1r2l 1
. 1 . 428 . 2 2 2 DC H5' H -1.670 4.499 0.089 . . . 1.0 . . . . . . . . . . . . B . 2 DC H5' . . . . . . . . . rr_1r2l 1
. 1 . 429 . 2 2 2 DC H5'' H -2.084 6.038 0.856 . . . 1.0 . . . . . . . . . . . . B . 2 DC H5'' . . . . . . . . . rr_1r2l 1
. 1 . 430 . 2 2 2 DC H6 H -0.482 2.785 3.716 . . . 1.0 . . . . . . . . . . . . B . 2 DC H6 . . . . . . . . . rr_1r2l 1
. 1 . 431 . 2 2 2 DC N1 N -2.323 1.720 3.978 . . . 1.0 . . . . . . . . . . . . B . 2 DC N1 . . . . . . . . . rr_1r2l 1
. 1 . 432 . 2 2 2 DC N3 N -2.120 -0.613 4.403 . . . 1.0 . . . . . . . . . . . . B . 2 DC N3 . . . . . . . . . rr_1r2l 1
. 1 . 433 . 2 2 2 DC N4 N -0.144 -1.544 4.548 . . . 1.0 . . . . . . . . . . . . B . 2 DC N4 . . . . . . . . . rr_1r2l 1
. 1 . 434 . 2 2 2 DC O2 O -4.096 0.286 4.042 . . . 1.0 . . . . . . . . . . . . B . 2 DC O2 . . . . . . . . . rr_1r2l 1
. 1 . 435 . 2 2 2 DC O3' O -5.032 4.966 2.788 . . . 1.0 . . . . . . . . . . . . B . 2 DC O3' . . . . . . . . . rr_1r2l 1
. 1 . 436 . 2 2 2 DC O4' O -2.776 2.964 2.068 . . . 1.0 . . . . . . . . . . . . B . 2 DC O4' . . . . . . . . . rr_1r2l 1
. 1 . 437 . 2 2 2 DC O5' O -0.596 4.952 1.774 . . . 1.0 . . . . . . . . . . . . B . 2 DC O5' . . . . . . . . . rr_1r2l 1
. 1 . 438 . 2 2 2 DC OP1 O 0.453 6.717 0.314 . . . 1.0 . . . . . . . . . . . . B . 2 DC OP1 . . . . . . . . . rr_1r2l 1
. 1 . 439 . 2 2 2 DC OP2 O 1.851 5.522 2.085 . . . 1.0 . . . . . . . . . . . . B . 2 DC OP2 . . . . . . . . . rr_1r2l 1
. 1 . 440 . 2 2 2 DC P P 0.763 5.494 1.091 . . . 1.0 . . . . . . . . . . . . B . 2 DC P . . . . . . . . . rr_1r2l 1
. 1 . 441 . 2 2 3 DT C1' C -7.447 1.269 6.188 . . . 1.0 . . . . . . . . . . . . B . 3 DT C1' . . . . . . . . . rr_1r2l 1
. 1 . 442 . 2 2 3 DT C2 C -5.700 -0.114 7.165 . . . 1.0 . . . . . . . . . . . . B . 3 DT C2 . . . . . . . . . rr_1r2l 1
. 1 . 443 . 2 2 3 DT C2' C -8.443 2.329 6.625 . . . 1.0 . . . . . . . . . . . . B . 3 DT C2' . . . . . . . . . rr_1r2l 1
. 1 . 444 . 2 2 3 DT C3' C -9.187 2.559 5.324 . . . 1.0 . . . . . . . . . . . . B . 3 DT C3' . . . . . . . . . rr_1r2l 1
. 1 . 445 . 2 2 3 DT C4 C -3.679 0.822 8.102 . . . 1.0 . . . . . . . . . . . . B . 3 DT C4 . . . . . . . . . rr_1r2l 1
. 1 . 446 . 2 2 3 DT C4' C -8.077 2.304 4.283 . . . 1.0 . . . . . . . . . . . . B . 3 DT C4' . . . . . . . . . rr_1r2l 1
. 1 . 447 . 2 2 3 DT C5 C -4.260 2.150 7.929 . . . 1.0 . . . . . . . . . . . . B . 3 DT C5 . . . . . . . . . rr_1r2l 1
. 1 . 448 . 2 2 3 DT C5' C -7.587 3.570 3.557 . . . 1.0 . . . . . . . . . . . . B . 3 DT C5' . . . . . . . . . rr_1r2l 1
. 1 . 449 . 2 2 3 DT C6 C -5.509 2.272 7.406 . . . 1.0 . . . . . . . . . . . . B . 3 DT C6 . . . . . . . . . rr_1r2l 1
. 1 . 450 . 2 2 3 DT C7 C -3.482 3.415 8.306 . . . 1.0 . . . . . . . . . . . . B . 3 DT C7 . . . . . . . . . rr_1r2l 1
. 1 . 451 . 2 2 3 DT H1' H -8.036 0.367 6.037 . . . 1.0 . . . . . . . . . . . . B . 3 DT H1' . . . . . . . . . rr_1r2l 1
. 1 . 452 . 2 2 3 DT H2' H -7.974 3.265 6.912 . . . 1.0 . . . . . . . . . . . . B . 3 DT H2' . . . . . . . . . rr_1r2l 1
. 1 . 453 . 2 2 3 DT H2'' H -9.101 1.997 7.421 . . . 1.0 . . . . . . . . . . . . B . 3 DT H2'' . . . . . . . . . rr_1r2l 1
. 1 . 454 . 2 2 3 DT H3 H -3.999 -1.102 7.811 . . . 1.0 . . . . . . . . . . . . B . 3 DT H3 . . . . . . . . . rr_1r2l 1
. 1 . 455 . 2 2 3 DT H3' H -9.555 3.575 5.283 . . . 1.0 . . . . . . . . . . . . B . 3 DT H3' . . . . . . . . . rr_1r2l 1
. 1 . 456 . 2 2 3 DT H4' H -8.461 1.592 3.554 . . . 1.0 . . . . . . . . . . . . B . 3 DT H4' . . . . . . . . . rr_1r2l 1
. 1 . 457 . 2 2 3 DT H5' H -6.973 3.231 2.720 . . . 1.0 . . . . . . . . . . . . B . 3 DT H5' . . . . . . . . . rr_1r2l 1
. 1 . 458 . 2 2 3 DT H5'' H -8.451 4.104 3.157 . . . 1.0 . . . . . . . . . . . . B . 3 DT H5'' . . . . . . . . . rr_1r2l 1
. 1 . 459 . 2 2 3 DT H6 H -5.883 3.270 7.222 . . . 1.0 . . . . . . . . . . . . B . 3 DT H6 . . . . . . . . . rr_1r2l 1
. 1 . 460 . 2 2 3 DT H71 H -3.485 4.133 7.484 . . . 1.0 . . . . . . . . . . . . B . 3 DT H71 . . . . . . . . . rr_1r2l 1
. 1 . 461 . 2 2 3 DT H72 H -3.934 3.872 9.188 . . . 1.0 . . . . . . . . . . . . B . 3 DT H72 . . . . . . . . . rr_1r2l 1
. 1 . 462 . 2 2 3 DT H73 H -2.444 3.171 8.550 . . . 1.0 . . . . . . . . . . . . B . 3 DT H73 . . . . . . . . . rr_1r2l 1
. 1 . 463 . 2 2 3 DT N1 N -6.243 1.155 7.040 . . . 1.0 . . . . . . . . . . . . B . 3 DT N1 . . . . . . . . . rr_1r2l 1
. 1 . 464 . 2 2 3 DT N3 N -4.484 -0.219 7.757 . . . 1.0 . . . . . . . . . . . . B . 3 DT N3 . . . . . . . . . rr_1r2l 1
. 1 . 465 . 2 2 3 DT O2 O -6.189 -1.129 6.682 . . . 1.0 . . . . . . . . . . . . B . 3 DT O2 . . . . . . . . . rr_1r2l 1
. 1 . 466 . 2 2 3 DT O3' O -10.236 1.636 5.098 . . . 1.0 . . . . . . . . . . . . B . 3 DT O3' . . . . . . . . . rr_1r2l 1
. 1 . 467 . 2 2 3 DT O4 O -2.538 0.571 8.447 . . . 1.0 . . . . . . . . . . . . B . 3 DT O4 . . . . . . . . . rr_1r2l 1
. 1 . 468 . 2 2 3 DT O4' O -6.991 1.644 4.912 . . . 1.0 . . . . . . . . . . . . B . 3 DT O4' . . . . . . . . . rr_1r2l 1
. 1 . 469 . 2 2 3 DT O5' O -6.825 4.434 4.391 . . . 1.0 . . . . . . . . . . . . B . 3 DT O5' . . . . . . . . . rr_1r2l 1
. 1 . 470 . 2 2 3 DT OP1 O -6.999 6.459 2.913 . . . 1.0 . . . . . . . . . . . . B . 3 DT OP1 . . . . . . . . . rr_1r2l 1
. 1 . 471 . 2 2 3 DT OP2 O -5.291 6.395 4.817 . . . 1.0 . . . . . . . . . . . . B . 3 DT OP2 . . . . . . . . . rr_1r2l 1
. 1 . 472 . 2 2 3 DT P P -6.058 5.699 3.768 . . . 1.0 . . . . . . . . . . . . B . 3 DT P . . . . . . . . . rr_1r2l 1
. 1 . 473 . 2 2 4 DA C1' C -9.057 -2.419 9.250 . . . 1.0 . . . . . . . . . . . . B . 4 DA C1' . . . . . . . . . rr_1r2l 1
. 1 . 474 . 2 2 4 DA C2 C -4.996 -3.945 9.997 . . . 1.0 . . . . . . . . . . . . B . 4 DA C2 . . . . . . . . . rr_1r2l 1
. 1 . 475 . 2 2 4 DA C2' C -10.414 -2.071 9.868 . . . 1.0 . . . . . . . . . . . . B . 4 DA C2' . . . . . . . . . rr_1r2l 1
. 1 . 476 . 2 2 4 DA C3' C -11.412 -2.235 8.712 . . . 1.0 . . . . . . . . . . . . B . 4 DA C3' . . . . . . . . . rr_1r2l 1
. 1 . 477 . 2 2 4 DA C4 C -6.620 -2.413 10.022 . . . 1.0 . . . . . . . . . . . . B . 4 DA C4 . . . . . . . . . rr_1r2l 1
. 1 . 478 . 2 2 4 DA C4' C -10.482 -2.025 7.498 . . . 1.0 . . . . . . . . . . . . B . 4 DA C4' . . . . . . . . . rr_1r2l 1
. 1 . 479 . 2 2 4 DA C5 C -5.765 -1.406 10.394 . . . 1.0 . . . . . . . . . . . . B . 4 DA C5 . . . . . . . . . rr_1r2l 1
. 1 . 480 . 2 2 4 DA C5' C -10.976 -0.974 6.480 . . . 1.0 . . . . . . . . . . . . B . 4 DA C5' . . . . . . . . . rr_1r2l 1
. 1 . 481 . 2 2 4 DA C6 C -4.401 -1.809 10.438 . . . 1.0 . . . . . . . . . . . . B . 4 DA C6 . . . . . . . . . rr_1r2l 1
. 1 . 482 . 2 2 4 DA C8 C -7.730 -0.606 10.502 . . . 1.0 . . . . . . . . . . . . B . 4 DA C8 . . . . . . . . . rr_1r2l 1
. 1 . 483 . 2 2 4 DA H1' H -8.973 -3.501 9.121 . . . 1.0 . . . . . . . . . . . . B . 4 DA H1' . . . . . . . . . rr_1r2l 1
. 1 . 484 . 2 2 4 DA H2 H -4.661 -4.954 9.905 . . . 1.0 . . . . . . . . . . . . B . 4 DA H2 . . . . . . . . . rr_1r2l 1
. 1 . 485 . 2 2 4 DA H2' H -10.445 -1.022 10.153 . . . 1.0 . . . . . . . . . . . . B . 4 DA H2' . . . . . . . . . rr_1r2l 1
. 1 . 486 . 2 2 4 DA H2'' H -10.636 -2.677 10.741 . . . 1.0 . . . . . . . . . . . . B . 4 DA H2'' . . . . . . . . . rr_1r2l 1
. 1 . 487 . 2 2 4 DA H3' H -12.188 -1.466 8.753 . . . 1.0 . . . . . . . . . . . . B . 4 DA H3' . . . . . . . . . rr_1r2l 1
. 1 . 488 . 2 2 4 DA H4' H -10.423 -2.966 6.946 . . . 1.0 . . . . . . . . . . . . B . 4 DA H4' . . . . . . . . . rr_1r2l 1
. 1 . 489 . 2 2 4 DA H5' H -10.251 -0.954 5.663 . . . 1.0 . . . . . . . . . . . . B . 4 DA H5' . . . . . . . . . rr_1r2l 1
. 1 . 490 . 2 2 4 DA H5'' H -11.930 -1.322 6.079 . . . 1.0 . . . . . . . . . . . . B . 4 DA H5'' . . . . . . . . . rr_1r2l 1
. 1 . 491 . 2 2 4 DA H61 H -2.422 -1.428 10.506 . . . 1.0 . . . . . . . . . . . . B . 4 DA H61 . . . . . . . . . rr_1r2l 1
. 1 . 492 . 2 2 4 DA H62 H -3.496 -0.095 10.905 . . . 1.0 . . . . . . . . . . . . B . 4 DA H62 . . . . . . . . . rr_1r2l 1
. 1 . 493 . 2 2 4 DA H8 H -8.562 0.031 10.765 . . . 1.0 . . . . . . . . . . . . B . 4 DA H8 . . . . . . . . . rr_1r2l 1
. 1 . 494 . 2 2 4 DA N1 N -4.045 -3.068 10.251 . . . 1.0 . . . . . . . . . . . . B . 4 DA N1 . . . . . . . . . rr_1r2l 1
. 1 . 495 . 2 2 4 DA N3 N -6.287 -3.711 9.792 . . . 1.0 . . . . . . . . . . . . B . 4 DA N3 . . . . . . . . . rr_1r2l 1
. 1 . 496 . 2 2 4 DA N6 N -3.347 -1.046 10.626 . . . 1.0 . . . . . . . . . . . . B . 4 DA N6 . . . . . . . . . rr_1r2l 1
. 1 . 497 . 2 2 4 DA N7 N -6.490 -0.242 10.697 . . . 1.0 . . . . . . . . . . . . B . 4 DA N7 . . . . . . . . . rr_1r2l 1
. 1 . 498 . 2 2 4 DA N9 N -7.878 -1.856 9.956 . . . 1.0 . . . . . . . . . . . . B . 4 DA N9 . . . . . . . . . rr_1r2l 1
. 1 . 499 . 2 2 4 DA O3' O -11.991 -3.524 8.613 . . . 1.0 . . . . . . . . . . . . B . 4 DA O3' . . . . . . . . . rr_1r2l 1
. 1 . 500 . 2 2 4 DA O4' O -9.158 -1.788 7.984 . . . 1.0 . . . . . . . . . . . . B . 4 DA O4' . . . . . . . . . rr_1r2l 1
. 1 . 501 . 2 2 4 DA O5' O -11.148 0.338 7.004 . . . 1.0 . . . . . . . . . . . . B . 4 DA O5' . . . . . . . . . rr_1r2l 1
. 1 . 502 . 2 2 4 DA OP1 O -12.666 1.147 5.160 . . . 1.0 . . . . . . . . . . . . B . 4 DA OP1 . . . . . . . . . rr_1r2l 1
. 1 . 503 . 2 2 4 DA OP2 O -11.642 2.817 6.794 . . . 1.0 . . . . . . . . . . . . B . 4 DA OP2 . . . . . . . . . rr_1r2l 1
. 1 . 504 . 2 2 4 DA P P -11.537 1.558 6.027 . . . 1.0 . . . . . . . . . . . . B . 4 DA P . . . . . . . . . rr_1r2l 1
. 1 . 505 . 2 2 5 DT C1' C -8.197 -4.815 12.730 . . . 1.0 . . . . . . . . . . . . B . 5 DT C1' . . . . . . . . . rr_1r2l 1
. 1 . 506 . 2 2 5 DT C2 C -6.103 -3.493 13.161 . . . 1.0 . . . . . . . . . . . . B . 5 DT C2 . . . . . . . . . rr_1r2l 1
. 1 . 507 . 2 2 5 DT C2' C -9.308 -4.988 13.788 . . . 1.0 . . . . . . . . . . . . B . 5 DT C2' . . . . . . . . . rr_1r2l 1
. 1 . 508 . 2 2 5 DT C3' C -10.350 -5.882 13.086 . . . 1.0 . . . . . . . . . . . . B . 5 DT C3' . . . . . . . . . rr_1r2l 1
. 1 . 509 . 2 2 5 DT C4 C -6.299 -1.157 13.793 . . . 1.0 . . . . . . . . . . . . B . 5 DT C4 . . . . . . . . . rr_1r2l 1
. 1 . 510 . 2 2 5 DT C4' C -9.940 -5.752 11.604 . . . 1.0 . . . . . . . . . . . . B . 5 DT C4' . . . . . . . . . rr_1r2l 1
. 1 . 511 . 2 2 5 DT C5 C -7.750 -1.285 13.592 . . . 1.0 . . . . . . . . . . . . B . 5 DT C5 . . . . . . . . . rr_1r2l 1
. 1 . 512 . 2 2 5 DT C5' C -11.094 -5.638 10.584 . . . 1.0 . . . . . . . . . . . . B . 5 DT C5' . . . . . . . . . rr_1r2l 1
. 1 . 513 . 2 2 5 DT C6 C -8.248 -2.426 13.076 . . . 1.0 . . . . . . . . . . . . B . 5 DT C6 . . . . . . . . . rr_1r2l 1
. 1 . 514 . 2 2 5 DT C7 C -8.808 -0.388 14.229 . . . 1.0 . . . . . . . . . . . . B . 5 DT C7 . . . . . . . . . rr_1r2l 1
. 1 . 515 . 2 2 5 DT H1' H -7.542 -5.689 12.708 . . . 1.0 . . . . . . . . . . . . B . 5 DT H1' . . . . . . . . . rr_1r2l 1
. 1 . 516 . 2 2 5 DT H2' H -9.775 -4.030 14.104 . . . 1.0 . . . . . . . . . . . . B . 5 DT H2' . . . . . . . . . rr_1r2l 1
. 1 . 517 . 2 2 5 DT H2'' H -8.902 -5.439 14.682 . . . 1.0 . . . . . . . . . . . . B . 5 DT H2'' . . . . . . . . . rr_1r2l 1
. 1 . 518 . 2 2 5 DT H3 H -4.577 -2.164 13.420 . . . 1.0 . . . . . . . . . . . . B . 5 DT H3 . . . . . . . . . rr_1r2l 1
. 1 . 519 . 2 2 5 DT H3' H -11.362 -5.505 13.253 . . . 1.0 . . . . . . . . . . . . B . 5 DT H3' . . . . . . . . . rr_1r2l 1
. 1 . 520 . 2 2 5 DT H4' H -9.400 -6.657 11.312 . . . 1.0 . . . . . . . . . . . . B . 5 DT H4' . . . . . . . . . rr_1r2l 1
. 1 . 521 . 2 2 5 DT H5' H -10.628 -5.497 9.606 . . . 1.0 . . . . . . . . . . . . B . 5 DT H5' . . . . . . . . . rr_1r2l 1
. 1 . 522 . 2 2 5 DT H5'' H -11.633 -6.588 10.563 . . . 1.0 . . . . . . . . . . . . B . 5 DT H5'' . . . . . . . . . rr_1r2l 1
. 1 . 523 . 2 2 5 DT H6 H -9.303 -2.494 12.841 . . . 1.0 . . . . . . . . . . . . B . 5 DT H6 . . . . . . . . . rr_1r2l 1
. 1 . 524 . 2 2 5 DT H71 H -9.583 -1.081 14.614 . . . 1.0 . . . . . . . . . . . . B . 5 DT H71 . . . . . . . . . rr_1r2l 1
. 1 . 525 . 2 2 5 DT H72 H -8.381 0.178 15.062 . . . 1.0 . . . . . . . . . . . . B . 5 DT H72 . . . . . . . . . rr_1r2l 1
. 1 . 526 . 2 2 5 DT H73 H -9.236 0.298 13.498 . . . 1.0 . . . . . . . . . . . . B . 5 DT H73 . . . . . . . . . rr_1r2l 1
. 1 . 527 . 2 2 5 DT N1 N -7.475 -3.537 12.905 . . . 1.0 . . . . . . . . . . . . B . 5 DT N1 . . . . . . . . . rr_1r2l 1
. 1 . 528 . 2 2 5 DT N3 N -5.575 -2.272 13.457 . . . 1.0 . . . . . . . . . . . . B . 5 DT N3 . . . . . . . . . rr_1r2l 1
. 1 . 529 . 2 2 5 DT O2 O -5.319 -4.426 13.093 . . . 1.0 . . . . . . . . . . . . B . 5 DT O2 . . . . . . . . . rr_1r2l 1
. 1 . 530 . 2 2 5 DT O3' O -10.261 -7.259 13.398 . . . 1.0 . . . . . . . . . . . . B . 5 DT O3' . . . . . . . . . rr_1r2l 1
. 1 . 531 . 2 2 5 DT O4 O -5.690 -0.158 14.138 . . . 1.0 . . . . . . . . . . . . B . 5 DT O4 . . . . . . . . . rr_1r2l 1
. 1 . 532 . 2 2 5 DT O4' O -8.952 -4.731 11.531 . . . 1.0 . . . . . . . . . . . . B . 5 DT O4' . . . . . . . . . rr_1r2l 1
. 1 . 533 . 2 2 5 DT O5' O -12.033 -4.604 10.847 . . . 1.0 . . . . . . . . . . . . B . 5 DT O5' . . . . . . . . . rr_1r2l 1
. 1 . 534 . 2 2 5 DT OP1 O -13.698 -5.275 9.088 . . . 1.0 . . . . . . . . . . . . B . 5 DT OP1 . . . . . . . . . rr_1r2l 1
. 1 . 535 . 2 2 5 DT OP2 O -13.861 -2.983 10.192 . . . 1.0 . . . . . . . . . . . . B . 5 DT OP2 . . . . . . . . . rr_1r2l 1
. 1 . 536 . 2 2 5 DT P P -13.028 -4.097 9.691 . . . 1.0 . . . . . . . . . . . . B . 5 DT P . . . . . . . . . rr_1r2l 1
. 1 . 537 . 2 2 6 DG C1' C -5.638 -7.134 16.683 . . . 1.0 . . . . . . . . . . . . B . 6 DG C1' . . . . . . . . . rr_1r2l 1
. 1 . 538 . 2 2 6 DG C2 C -2.991 -3.724 16.983 . . . 1.0 . . . . . . . . . . . . B . 6 DG C2 . . . . . . . . . rr_1r2l 1
. 1 . 539 . 2 2 6 DG C2' C -6.351 -8.037 17.676 . . . 1.0 . . . . . . . . . . . . B . 6 DG C2' . . . . . . . . . rr_1r2l 1
. 1 . 540 . 2 2 6 DG C3' C -6.662 -9.273 16.841 . . . 1.0 . . . . . . . . . . . . B . 6 DG C3' . . . . . . . . . rr_1r2l 1
. 1 . 541 . 2 2 6 DG C4 C -4.989 -4.704 16.922 . . . 1.0 . . . . . . . . . . . . B . 6 DG C4 . . . . . . . . . rr_1r2l 1
. 1 . 542 . 2 2 6 DG C4' C -6.668 -8.744 15.395 . . . 1.0 . . . . . . . . . . . . B . 6 DG C4' . . . . . . . . . rr_1r2l 1
. 1 . 543 . 2 2 6 DG C5 C -5.684 -3.519 16.946 . . . 1.0 . . . . . . . . . . . . B . 6 DG C5 . . . . . . . . . rr_1r2l 1
. 1 . 544 . 2 2 6 DG C5' C -8.056 -8.736 14.733 . . . 1.0 . . . . . . . . . . . . B . 6 DG C5' . . . . . . . . . rr_1r2l 1
. 1 . 545 . 2 2 6 DG C6 C -4.907 -2.311 17.018 . . . 1.0 . . . . . . . . . . . . B . 6 DG C6 . . . . . . . . . rr_1r2l 1
. 1 . 546 . 2 2 6 DG C8 C -7.135 -5.070 16.897 . . . 1.0 . . . . . . . . . . . . B . 6 DG C8 . . . . . . . . . rr_1r2l 1
. 1 . 547 . 2 2 6 DG H1 H -3.032 -1.649 17.154 . . . 1.0 . . . . . . . . . . . . B . 6 DG H1 . . . . . . . . . rr_1r2l 1
. 1 . 548 . 2 2 6 DG H1' H -4.589 -7.401 16.749 . . . 1.0 . . . . . . . . . . . . B . 6 DG H1' . . . . . . . . . rr_1r2l 1
. 1 . 549 . 2 2 6 DG H2' H -7.291 -7.592 17.999 . . . 1.0 . . . . . . . . . . . . B . 6 DG H2' . . . . . . . . . rr_1r2l 1
. 1 . 550 . 2 2 6 DG H2'' H -5.730 -8.242 18.545 . . . 1.0 . . . . . . . . . . . . B . 6 DG H2'' . . . . . . . . . rr_1r2l 1
. 1 . 551 . 2 2 6 DG H21 H -1.252 -3.099 17.679 . . . 1.0 . . . . . . . . . . . . B . 6 DG H21 . . . . . . . . . rr_1r2l 1
. 1 . 552 . 2 2 6 DG H22 H -1.469 -4.797 17.277 . . . 1.0 . . . . . . . . . . . . B . 6 DG H22 . . . . . . . . . rr_1r2l 1
. 1 . 553 . 2 2 6 DG H3' H -7.645 -9.616 17.112 . . . 1.0 . . . . . . . . . . . . B . 6 DG H3' . . . . . . . . . rr_1r2l 1
. 1 . 554 . 2 2 6 DG H4' H -6.037 -9.380 14.767 . . . 1.0 . . . . . . . . . . . . B . 6 DG H4' . . . . . . . . . rr_1r2l 1
. 1 . 555 . 2 2 6 DG H5' H -7.925 -8.342 13.722 . . . 1.0 . . . . . . . . . . . . B . 6 DG H5' . . . . . . . . . rr_1r2l 1
. 1 . 556 . 2 2 6 DG H5'' H -8.392 -9.772 14.657 . . . 1.0 . . . . . . . . . . . . B . 6 DG H5'' . . . . . . . . . rr_1r2l 1
. 1 . 557 . 2 2 6 DG H8 H -8.075 -5.602 16.870 . . . 1.0 . . . . . . . . . . . . B . 6 DG H8 . . . . . . . . . rr_1r2l 1
. 1 . 558 . 2 2 6 DG N1 N -3.549 -2.507 17.069 . . . 1.0 . . . . . . . . . . . . B . 6 DG N1 . . . . . . . . . rr_1r2l 1
. 1 . 559 . 2 2 6 DG N2 N -1.722 -3.831 17.188 . . . 1.0 . . . . . . . . . . . . B . 6 DG N2 . . . . . . . . . rr_1r2l 1
. 1 . 560 . 2 2 6 DG N3 N -3.640 -4.866 16.943 . . . 1.0 . . . . . . . . . . . . B . 6 DG N3 . . . . . . . . . rr_1r2l 1
. 1 . 561 . 2 2 6 DG N7 N -7.066 -3.766 16.914 . . . 1.0 . . . . . . . . . . . . B . 6 DG N7 . . . . . . . . . rr_1r2l 1
. 1 . 562 . 2 2 6 DG N9 N -5.919 -5.704 16.894 . . . 1.0 . . . . . . . . . . . . B . 6 DG N9 . . . . . . . . . rr_1r2l 1
. 1 . 563 . 2 2 6 DG O3' O -5.719 -10.322 16.945 . . . 1.0 . . . . . . . . . . . . B . 6 DG O3' . . . . . . . . . rr_1r2l 1
. 1 . 564 . 2 2 6 DG O4' O -6.111 -7.441 15.390 . . . 1.0 . . . . . . . . . . . . B . 6 DG O4' . . . . . . . . . rr_1r2l 1
. 1 . 565 . 2 2 6 DG O5' O -9.028 -7.966 15.429 . . . 1.0 . . . . . . . . . . . . B . 6 DG O5' . . . . . . . . . rr_1r2l 1
. 1 . 566 . 2 2 6 DG O6 O -5.286 -1.151 17.066 . . . 1.0 . . . . . . . . . . . . B . 6 DG O6 . . . . . . . . . rr_1r2l 1
. 1 . 567 . 2 2 6 DG OP1 O -11.054 -9.230 14.673 . . . 1.0 . . . . . . . . . . . . B . 6 DG OP1 . . . . . . . . . rr_1r2l 1
. 1 . 568 . 2 2 6 DG OP2 O -11.301 -6.880 15.643 . . . 1.0 . . . . . . . . . . . . B . 6 DG OP2 . . . . . . . . . rr_1r2l 1
. 1 . 569 . 2 2 6 DG P P -10.524 -7.856 14.853 . . . 1.0 . . . . . . . . . . . . B . 6 DG P . . . . . . . . . rr_1r2l 1
. 1 . 570 . 2 2 7 DA C1' C -2.423 -7.123 20.400 . . . 1.0 . . . . . . . . . . . . B . 7 DA C1' . . . . . . . . . rr_1r2l 1
. 1 . 571 . 2 2 7 DA C2 C -1.602 -2.784 20.246 . . . 1.0 . . . . . . . . . . . . B . 7 DA C2 . . . . . . . . . rr_1r2l 1
. 1 . 572 . 2 2 7 DA C2' C -2.590 -8.224 21.447 . . . 1.0 . . . . . . . . . . . . B . 7 DA C2' . . . . . . . . . rr_1r2l 1
. 1 . 573 . 2 2 7 DA C3' C -2.118 -9.508 20.766 . . . 1.0 . . . . . . . . . . . . B . 7 DA C3' . . . . . . . . . rr_1r2l 1
. 1 . 574 . 2 2 7 DA C4 C -2.924 -4.593 20.416 . . . 1.0 . . . . . . . . . . . . B . 7 DA C4 . . . . . . . . . rr_1r2l 1
. 1 . 575 . 2 2 7 DA C4' C -2.262 -9.157 19.274 . . . 1.0 . . . . . . . . . . . . B . 7 DA C4' . . . . . . . . . rr_1r2l 1
. 1 . 576 . 2 2 7 DA C5 C -4.074 -3.845 20.353 . . . 1.0 . . . . . . . . . . . . B . 7 DA C5 . . . . . . . . . rr_1r2l 1
. 1 . 577 . 2 2 7 DA C5' C -3.153 -10.142 18.496 . . . 1.0 . . . . . . . . . . . . B . 7 DA C5' . . . . . . . . . rr_1r2l 1
. 1 . 578 . 2 2 7 DA C6 C -3.841 -2.443 20.200 . . . 1.0 . . . . . . . . . . . . B . 7 DA C6 . . . . . . . . . rr_1r2l 1
. 1 . 579 . 2 2 7 DA C8 C -4.677 -5.889 20.521 . . . 1.0 . . . . . . . . . . . . B . 7 DA C8 . . . . . . . . . rr_1r2l 1
. 1 . 580 . 2 2 7 DA H1' H -1.375 -6.840 20.462 . . . 1.0 . . . . . . . . . . . . B . 7 DA H1' . . . . . . . . . rr_1r2l 1
. 1 . 581 . 2 2 7 DA H2 H -0.612 -2.358 20.225 . . . 1.0 . . . . . . . . . . . . B . 7 DA H2 . . . . . . . . . rr_1r2l 1
. 1 . 582 . 2 2 7 DA H2' H -3.589 -8.287 21.873 . . . 1.0 . . . . . . . . . . . . B . 7 DA H2' . . . . . . . . . rr_1r2l 1
. 1 . 583 . 2 2 7 DA H2'' H -1.911 -8.084 22.251 . . . 1.0 . . . . . . . . . . . . B . 7 DA H2'' . . . . . . . . . rr_1r2l 1
. 1 . 584 . 2 2 7 DA H3' H -2.767 -10.328 21.040 . . . 1.0 . . . . . . . . . . . . B . 7 DA H3' . . . . . . . . . rr_1r2l 1
. 1 . 585 . 2 2 7 DA H4' H -1.288 -9.246 18.781 . . . 1.0 . . . . . . . . . . . . B . 7 DA H4' . . . . . . . . . rr_1r2l 1
. 1 . 586 . 2 2 7 DA H5' H -3.234 -9.763 17.474 . . . 1.0 . . . . . . . . . . . . B . 7 DA H5' . . . . . . . . . rr_1r2l 1
. 1 . 587 . 2 2 7 DA H5'' H -2.641 -11.107 18.462 . . . 1.0 . . . . . . . . . . . . B . 7 DA H5'' . . . . . . . . . rr_1r2l 1
. 1 . 588 . 2 2 7 DA H61 H -4.458 -0.558 19.868 . . . 1.0 . . . . . . . . . . . . B . 7 DA H61 . . . . . . . . . rr_1r2l 1
. 1 . 589 . 2 2 7 DA H62 H -5.724 -1.763 20.060 . . . 1.0 . . . . . . . . . . . . B . 7 DA H62 . . . . . . . . . rr_1r2l 1
. 1 . 590 . 2 2 7 DA H8 H -5.283 -6.783 20.578 . . . 1.0 . . . . . . . . . . . . B . 7 DA H8 . . . . . . . . . rr_1r2l 1
. 1 . 591 . 2 2 7 DA N1 N -2.611 -1.936 20.129 . . . 1.0 . . . . . . . . . . . . B . 7 DA N1 . . . . . . . . . rr_1r2l 1
. 1 . 592 . 2 2 7 DA N3 N -1.653 -4.107 20.378 . . . 1.0 . . . . . . . . . . . . B . 7 DA N3 . . . . . . . . . rr_1r2l 1
. 1 . 593 . 2 2 7 DA N6 N -4.756 -1.499 20.074 . . . 1.0 . . . . . . . . . . . . B . 7 DA N6 . . . . . . . . . rr_1r2l 1
. 1 . 594 . 2 2 7 DA N7 N -5.198 -4.690 20.434 . . . 1.0 . . . . . . . . . . . . B . 7 DA N7 . . . . . . . . . rr_1r2l 1
. 1 . 595 . 2 2 7 DA N9 N -3.305 -5.923 20.516 . . . 1.0 . . . . . . . . . . . . B . 7 DA N9 . . . . . . . . . rr_1r2l 1
. 1 . 596 . 2 2 7 DA O3' O -0.756 -9.825 21.031 . . . 1.0 . . . . . . . . . . . . B . 7 DA O3' . . . . . . . . . rr_1r2l 1
. 1 . 597 . 2 2 7 DA O4' O -2.704 -7.797 19.182 . . . 1.0 . . . . . . . . . . . . B . 7 DA O4' . . . . . . . . . rr_1r2l 1
. 1 . 598 . 2 2 7 DA O5' O -4.439 -10.334 19.064 . . . 1.0 . . . . . . . . . . . . B . 7 DA O5' . . . . . . . . . rr_1r2l 1
. 1 . 599 . 2 2 7 DA OP1 O -4.937 -12.491 17.887 . . . 1.0 . . . . . . . . . . . . B . 7 DA OP1 . . . . . . . . . rr_1r2l 1
. 1 . 600 . 2 2 7 DA OP2 O -6.809 -11.196 19.036 . . . 1.0 . . . . . . . . . . . . B . 7 DA OP2 . . . . . . . . . rr_1r2l 1
. 1 . 601 . 2 2 7 DA P P -5.541 -11.192 18.276 . . . 1.0 . . . . . . . . . . . . B . 7 DA P . . . . . . . . . rr_1r2l 1
. 1 . 602 . 2 2 8 DA C1' C 1.247 -5.648 24.039 . . . 1.0 . . . . . . . . . . . . B . 8 DA C1' . . . . . . . . . rr_1r2l 1
. 1 . 603 . 2 2 8 DA C2 C -0.377 -1.669 23.175 . . . 1.0 . . . . . . . . . . . . B . 8 DA C2 . . . . . . . . . rr_1r2l 1
. 1 . 604 . 2 2 8 DA C2' C 1.683 -6.662 25.093 . . . 1.0 . . . . . . . . . . . . B . 8 DA C2' . . . . . . . . . rr_1r2l 1
. 1 . 605 . 2 2 8 DA C3' C 2.797 -7.411 24.374 . . . 1.0 . . . . . . . . . . . . B . 8 DA C3' . . . . . . . . . rr_1r2l 1
. 1 . 606 . 2 2 8 DA C4 C -0.503 -3.822 23.779 . . . 1.0 . . . . . . . . . . . . B . 8 DA C4 . . . . . . . . . rr_1r2l 1
. 1 . 607 . 2 2 8 DA C4' C 2.286 -7.365 22.918 . . . 1.0 . . . . . . . . . . . . B . 8 DA C4' . . . . . . . . . rr_1r2l 1
. 1 . 608 . 2 2 8 DA C5 C -1.871 -3.814 23.821 . . . 1.0 . . . . . . . . . . . . B . 8 DA C5 . . . . . . . . . rr_1r2l 1
. 1 . 609 . 2 2 8 DA C5' C 1.783 -8.718 22.371 . . . 1.0 . . . . . . . . . . . . B . 8 DA C5' . . . . . . . . . rr_1r2l 1
. 1 . 610 . 2 2 8 DA C6 C -2.440 -2.583 23.407 . . . 1.0 . . . . . . . . . . . . B . 8 DA C6 . . . . . . . . . rr_1r2l 1
. 1 . 611 . 2 2 8 DA C8 C -1.254 -5.640 24.713 . . . 1.0 . . . . . . . . . . . . B . 8 DA C8 . . . . . . . . . rr_1r2l 1
. 1 . 612 . 2 2 8 DA H1' H 2.035 -4.901 23.971 . . . 1.0 . . . . . . . . . . . . B . 8 DA H1' . . . . . . . . . rr_1r2l 1
. 1 . 613 . 2 2 8 DA H2 H 0.233 -0.797 23.004 . . . 1.0 . . . . . . . . . . . . B . 8 DA H2 . . . . . . . . . rr_1r2l 1
. 1 . 614 . 2 2 8 DA H2' H 0.888 -7.377 25.298 . . . 1.0 . . . . . . . . . . . . B . 8 DA H2' . . . . . . . . . rr_1r2l 1
. 1 . 615 . 2 2 8 DA H2'' H 2.029 -6.203 26.012 . . . 1.0 . . . . . . . . . . . . B . 8 DA H2'' . . . . . . . . . rr_1r2l 1
. 1 . 616 . 2 2 8 DA H3' H 2.863 -8.434 24.724 . . . 1.0 . . . . . . . . . . . . B . 8 DA H3' . . . . . . . . . rr_1r2l 1
. 1 . 617 . 2 2 8 DA H4' H 3.102 -7.031 22.275 . . . 1.0 . . . . . . . . . . . . B . 8 DA H4' . . . . . . . . . rr_1r2l 1
. 1 . 618 . 2 2 8 DA H5' H 1.563 -8.570 21.311 . . . 1.0 . . . . . . . . . . . . B . 8 DA H5' . . . . . . . . . rr_1r2l 1
. 1 . 619 . 2 2 8 DA H5'' H 2.585 -9.456 22.449 . . . 1.0 . . . . . . . . . . . . B . 8 DA H5'' . . . . . . . . . rr_1r2l 1
. 1 . 620 . 2 2 8 DA H61 H -4.018 -1.405 23.075 . . . 1.0 . . . . . . . . . . . . B . 8 DA H61 . . . . . . . . . rr_1r2l 1
. 1 . 621 . 2 2 8 DA H62 H -4.381 -3.046 23.614 . . . 1.0 . . . . . . . . . . . . B . 8 DA H62 . . . . . . . . . rr_1r2l 1
. 1 . 622 . 2 2 8 DA H8 H -1.289 -6.540 25.313 . . . 1.0 . . . . . . . . . . . . B . 8 DA H8 . . . . . . . . . rr_1r2l 1
. 1 . 623 . 2 2 8 DA N1 N -1.694 -1.516 23.130 . . . 1.0 . . . . . . . . . . . . B . 8 DA N1 . . . . . . . . . rr_1r2l 1
. 1 . 624 . 2 2 8 DA N3 N 0.303 -2.773 23.467 . . . 1.0 . . . . . . . . . . . . B . 8 DA N3 . . . . . . . . . rr_1r2l 1
. 1 . 625 . 2 2 8 DA N6 N -3.729 -2.329 23.354 . . . 1.0 . . . . . . . . . . . . B . 8 DA N6 . . . . . . . . . rr_1r2l 1
. 1 . 626 . 2 2 8 DA N7 N -2.351 -4.979 24.447 . . . 1.0 . . . . . . . . . . . . B . 8 DA N7 . . . . . . . . . rr_1r2l 1
. 1 . 627 . 2 2 8 DA N9 N -0.105 -5.061 24.223 . . . 1.0 . . . . . . . . . . . . B . 8 DA N9 . . . . . . . . . rr_1r2l 1
. 1 . 628 . 2 2 8 DA O3' O 4.056 -6.758 24.477 . . . 1.0 . . . . . . . . . . . . B . 8 DA O3' . . . . . . . . . rr_1r2l 1
. 1 . 629 . 2 2 8 DA O4' O 1.251 -6.388 22.839 . . . 1.0 . . . . . . . . . . . . B . 8 DA O4' . . . . . . . . . rr_1r2l 1
. 1 . 630 . 2 2 8 DA O5' O 0.625 -9.199 23.042 . . . 1.0 . . . . . . . . . . . . B . 8 DA O5' . . . . . . . . . rr_1r2l 1
. 1 . 631 . 2 2 8 DA OP1 O 0.711 -11.524 22.139 . . . 1.0 . . . . . . . . . . . . B . 8 DA OP1 . . . . . . . . . rr_1r2l 1
. 1 . 632 . 2 2 8 DA OP2 O -1.380 -10.680 23.328 . . . 1.0 . . . . . . . . . . . . B . 8 DA OP2 . . . . . . . . . rr_1r2l 1
. 1 . 633 . 2 2 8 DA P P -0.232 -10.418 22.434 . . . 1.0 . . . . . . . . . . . . B . 8 DA P . . . . . . . . . rr_1r2l 1
. 1 . 634 . 2 2 9 DA C1' C 3.517 -2.314 27.294 . . . 1.0 . . . . . . . . . . . . B . 9 DA C1' . . . . . . . . . rr_1r2l 1
. 1 . 635 . 2 2 9 DA C2 C -0.058 -0.130 26.325 . . . 1.0 . . . . . . . . . . . . B . 9 DA C2 . . . . . . . . . rr_1r2l 1
. 1 . 636 . 2 2 9 DA C2' C 4.525 -2.908 28.291 . . . 1.0 . . . . . . . . . . . . B . 9 DA C2' . . . . . . . . . rr_1r2l 1
. 1 . 637 . 2 2 9 DA C3' C 5.850 -2.656 27.588 . . . 1.0 . . . . . . . . . . . . B . 9 DA C3' . . . . . . . . . rr_1r2l 1
. 1 . 638 . 2 2 9 DA C4 C 1.060 -1.977 26.921 . . . 1.0 . . . . . . . . . . . . B . 9 DA C4 . . . . . . . . . rr_1r2l 1
. 1 . 639 . 2 2 9 DA C4' C 5.421 -2.876 26.120 . . . 1.0 . . . . . . . . . . . . B . 9 DA C4' . . . . . . . . . rr_1r2l 1
. 1 . 640 . 2 2 9 DA C5 C -0.052 -2.766 26.897 . . . 1.0 . . . . . . . . . . . . B . 9 DA C5 . . . . . . . . . rr_1r2l 1
. 1 . 641 . 2 2 9 DA C5' C 5.672 -4.299 25.575 . . . 1.0 . . . . . . . . . . . . B . 9 DA C5' . . . . . . . . . rr_1r2l 1
. 1 . 642 . 2 2 9 DA C6 C -1.227 -2.062 26.546 . . . 1.0 . . . . . . . . . . . . B . 9 DA C6 . . . . . . . . . rr_1r2l 1
. 1 . 643 . 2 2 9 DA C8 C 1.545 -4.017 27.521 . . . 1.0 . . . . . . . . . . . . B . 9 DA C8 . . . . . . . . . rr_1r2l 1
. 1 . 644 . 2 2 9 DA H1' H 3.552 -1.231 27.427 . . . 1.0 . . . . . . . . . . . . B . 9 DA H1' . . . . . . . . . rr_1r2l 1
. 1 . 645 . 2 2 9 DA H2 H -0.022 0.928 26.116 . . . 1.0 . . . . . . . . . . . . B . 9 DA H2 . . . . . . . . . rr_1r2l 1
. 1 . 646 . 2 2 9 DA H2' H 4.476 -3.983 28.411 . . . 1.0 . . . . . . . . . . . . B . 9 DA H2' . . . . . . . . . rr_1r2l 1
. 1 . 647 . 2 2 9 DA H2'' H 4.492 -2.439 29.265 . . . 1.0 . . . . . . . . . . . . B . 9 DA H2'' . . . . . . . . . rr_1r2l 1
. 1 . 648 . 2 2 9 DA H3' H 6.616 -3.377 27.883 . . . 1.0 . . . . . . . . . . . . B . 9 DA H3' . . . . . . . . . rr_1r2l 1
. 1 . 649 . 2 2 9 DA H4' H 5.960 -2.179 25.477 . . . 1.0 . . . . . . . . . . . . B . 9 DA H4' . . . . . . . . . rr_1r2l 1
. 1 . 650 . 2 2 9 DA H5' H 5.323 -4.316 24.539 . . . 1.0 . . . . . . . . . . . . B . 9 DA H5' . . . . . . . . . rr_1r2l 1
. 1 . 651 . 2 2 9 DA H5'' H 6.747 -4.486 25.575 . . . 1.0 . . . . . . . . . . . . B . 9 DA H5'' . . . . . . . . . rr_1r2l 1
. 1 . 652 . 2 2 9 DA H61 H -3.176 -2.021 26.180 . . . 1.0 . . . . . . . . . . . . B . 9 DA H61 . . . . . . . . . rr_1r2l 1
. 1 . 653 . 2 2 9 DA H62 H -2.484 -3.621 26.465 . . . 1.0 . . . . . . . . . . . . B . 9 DA H62 . . . . . . . . . rr_1r2l 1
. 1 . 654 . 2 2 9 DA H8 H 2.040 -4.908 27.876 . . . 1.0 . . . . . . . . . . . . B . 9 DA H8 . . . . . . . . . rr_1r2l 1
. 1 . 655 . 2 2 9 DA N1 N -1.226 -0.757 26.272 . . . 1.0 . . . . . . . . . . . . B . 9 DA N1 . . . . . . . . . rr_1r2l 1
. 1 . 656 . 2 2 9 DA N3 N 1.116 -0.645 26.664 . . . 1.0 . . . . . . . . . . . . B . 9 DA N3 . . . . . . . . . rr_1r2l 1
. 1 . 657 . 2 2 9 DA N6 N -2.408 -2.617 26.442 . . . 1.0 . . . . . . . . . . . . B . 9 DA N6 . . . . . . . . . rr_1r2l 1
. 1 . 658 . 2 2 9 DA N7 N 0.262 -4.078 27.284 . . . 1.0 . . . . . . . . . . . . B . 9 DA N7 . . . . . . . . . rr_1r2l 1
. 1 . 659 . 2 2 9 DA N9 N 2.105 -2.771 27.325 . . . 1.0 . . . . . . . . . . . . B . 9 DA N9 . . . . . . . . . rr_1r2l 1
. 1 . 660 . 2 2 9 DA O3' O 6.331 -1.333 27.781 . . . 1.0 . . . . . . . . . . . . B . 9 DA O3' . . . . . . . . . rr_1r2l 1
. 1 . 661 . 2 2 9 DA O4' O 4.031 -2.596 26.013 . . . 1.0 . . . . . . . . . . . . B . 9 DA O4' . . . . . . . . . rr_1r2l 1
. 1 . 662 . 2 2 9 DA O5' O 5.011 -5.316 26.319 . . . 1.0 . . . . . . . . . . . . B . 9 DA O5' . . . . . . . . . rr_1r2l 1
. 1 . 663 . 2 2 9 DA OP1 O 6.360 -7.187 25.376 . . . 1.0 . . . . . . . . . . . . B . 9 DA OP1 . . . . . . . . . rr_1r2l 1
. 1 . 664 . 2 2 9 DA OP2 O 4.320 -7.664 26.821 . . . 1.0 . . . . . . . . . . . . B . 9 DA OP2 . . . . . . . . . rr_1r2l 1
. 1 . 665 . 2 2 9 DA P P 4.980 -6.834 25.792 . . . 1.0 . . . . . . . . . . . . B . 9 DA P . . . . . . . . . rr_1r2l 1
. 1 . 666 . 2 2 10 DT C1' C 1.819 1.061 30.150 . . . 1.0 . . . . . . . . . . . . B . 10 DT C1' . . . . . . . . . rr_1r2l 1
. 1 . 667 . 2 2 10 DT C2 C -0.230 -0.177 29.691 . . . 1.0 . . . . . . . . . . . . B . 10 DT C2 . . . . . . . . . rr_1r2l 1
. 1 . 668 . 2 2 10 DT C2' C 2.668 1.356 31.385 . . . 1.0 . . . . . . . . . . . . B . 10 DT C2' . . . . . . . . . rr_1r2l 1
. 1 . 669 . 2 2 10 DT C3' C 3.693 2.349 30.855 . . . 1.0 . . . . . . . . . . . . B . 10 DT C3' . . . . . . . . . rr_1r2l 1
. 1 . 670 . 2 2 10 DT C4 C -0.444 -2.565 30.048 . . . 1.0 . . . . . . . . . . . . B . 10 DT C4 . . . . . . . . . rr_1r2l 1
. 1 . 671 . 2 2 10 DT C4' C 3.798 1.888 29.380 . . . 1.0 . . . . . . . . . . . . B . 10 DT C4' . . . . . . . . . rr_1r2l 1
. 1 . 672 . 2 2 10 DT C5 C 0.955 -2.585 30.484 . . . 1.0 . . . . . . . . . . . . B . 10 DT C5 . . . . . . . . . rr_1r2l 1
. 1 . 673 . 2 2 10 DT C5' C 5.157 1.294 28.959 . . . 1.0 . . . . . . . . . . . . B . 10 DT C5' . . . . . . . . . rr_1r2l 1
. 1 . 674 . 2 2 10 DT C6 C 1.644 -1.413 30.560 . . . 1.0 . . . . . . . . . . . . B . 10 DT C6 . . . . . . . . . rr_1r2l 1
. 1 . 675 . 2 2 10 DT C7 C 1.673 -3.906 30.792 . . . 1.0 . . . . . . . . . . . . B . 10 DT C7 . . . . . . . . . rr_1r2l 1
. 1 . 676 . 2 2 10 DT H1' H 1.202 1.941 29.948 . . . 1.0 . . . . . . . . . . . . B . 10 DT H1' . . . . . . . . . rr_1r2l 1
. 1 . 677 . 2 2 10 DT H2' H 3.206 0.480 31.735 . . . 1.0 . . . . . . . . . . . . B . 10 DT H2' . . . . . . . . . rr_1r2l 1
. 1 . 678 . 2 2 10 DT H2'' H 2.092 1.781 32.189 . . . 1.0 . . . . . . . . . . . . B . 10 DT H2'' . . . . . . . . . rr_1r2l 1
. 1 . 679 . 2 2 10 DT H3 H -1.822 -1.314 29.248 . . . 1.0 . . . . . . . . . . . . B . 10 DT H3 . . . . . . . . . rr_1r2l 1
. 1 . 680 . 2 2 10 DT H3' H 4.651 2.254 31.372 . . . 1.0 . . . . . . . . . . . . B . 10 DT H3' . . . . . . . . . rr_1r2l 1
. 1 . 681 . 2 2 10 DT H4' H 3.599 2.744 28.730 . . . 1.0 . . . . . . . . . . . . B . 10 DT H4' . . . . . . . . . rr_1r2l 1
. 1 . 682 . 2 2 10 DT H5' H 5.081 1.059 27.894 . . . 1.0 . . . . . . . . . . . . B . 10 DT H5' . . . . . . . . . rr_1r2l 1
. 1 . 683 . 2 2 10 DT H5'' H 5.923 2.062 29.085 . . . 1.0 . . . . . . . . . . . . B . 10 DT H5'' . . . . . . . . . rr_1r2l 1
. 1 . 684 . 2 2 10 DT H6 H 2.666 -1.426 30.904 . . . 1.0 . . . . . . . . . . . . B . 10 DT H6 . . . . . . . . . rr_1r2l 1
. 1 . 685 . 2 2 10 DT H71 H 1.628 -4.128 31.852 . . . 1.0 . . . . . . . . . . . . B . 10 DT H71 . . . . . . . . . rr_1r2l 1
. 1 . 686 . 2 2 10 DT H72 H 1.183 -4.728 30.262 . . . 1.0 . . . . . . . . . . . . B . 10 DT H72 . . . . . . . . . rr_1r2l 1
. 1 . 687 . 2 2 10 DT H73 H 2.717 -3.877 30.472 . . . 1.0 . . . . . . . . . . . . B . 10 DT H73 . . . . . . . . . rr_1r2l 1
. 1 . 688 . 2 2 10 DT N1 N 1.055 -0.209 30.212 . . . 1.0 . . . . . . . . . . . . B . 10 DT N1 . . . . . . . . . rr_1r2l 1
. 1 . 689 . 2 2 10 DT N3 N -0.888 -1.356 29.614 . . . 1.0 . . . . . . . . . . . . B . 10 DT N3 . . . . . . . . . rr_1r2l 1
. 1 . 690 . 2 2 10 DT O2 O -0.832 0.840 29.386 . . . 1.0 . . . . . . . . . . . . B . 10 DT O2 . . . . . . . . . rr_1r2l 1
. 1 . 691 . 2 2 10 DT O3' O 3.199 3.682 30.935 . . . 1.0 . . . . . . . . . . . . B . 10 DT O3' . . . . . . . . . rr_1r2l 1
. 1 . 692 . 2 2 10 DT O4 O -1.235 -3.493 30.071 . . . 1.0 . . . . . . . . . . . . B . 10 DT O4 . . . . . . . . . rr_1r2l 1
. 1 . 693 . 2 2 10 DT O4' O 2.773 0.935 29.135 . . . 1.0 . . . . . . . . . . . . B . 10 DT O4' . . . . . . . . . rr_1r2l 1
. 1 . 694 . 2 2 10 DT O5' O 5.525 0.126 29.686 . . . 1.0 . . . . . . . . . . . . B . 10 DT O5' . . . . . . . . . rr_1r2l 1
. 1 . 695 . 2 2 10 DT OP1 O 7.933 0.154 29.012 . . . 1.0 . . . . . . . . . . . . B . 10 DT OP1 . . . . . . . . . rr_1r2l 1
. 1 . 696 . 2 2 10 DT OP2 O 6.946 -1.887 30.164 . . . 1.0 . . . . . . . . . . . . B . 10 DT OP2 . . . . . . . . . rr_1r2l 1
. 1 . 697 . 2 2 10 DT P P 6.785 -0.762 29.215 . . . 1.0 . . . . . . . . . . . . B . 10 DT P . . . . . . . . . rr_1r2l 1
. 1 . 698 . 2 2 11 DC C1' C -1.987 3.885 32.273 . . . 1.0 . . . . . . . . . . . . B . 11 DC C1' . . . . . . . . . rr_1r2l 1
. 1 . 699 . 2 2 11 DC C2 C -2.510 1.499 32.268 . . . 1.0 . . . . . . . . . . . . B . 11 DC C2 . . . . . . . . . rr_1r2l 1
. 1 . 700 . 2 2 11 DC C2' C -1.767 4.820 33.461 . . . 1.0 . . . . . . . . . . . . B . 11 DC C2' . . . . . . . . . rr_1r2l 1
. 1 . 701 . 2 2 11 DC C3' C -1.266 6.115 32.825 . . . 1.0 . . . . . . . . . . . . B . 11 DC C3' . . . . . . . . . rr_1r2l 1
. 1 . 702 . 2 2 11 DC C4 C -0.981 -0.117 32.779 . . . 1.0 . . . . . . . . . . . . B . 11 DC C4 . . . . . . . . . rr_1r2l 1
. 1 . 703 . 2 2 11 DC C4' C -0.717 5.632 31.466 . . . 1.0 . . . . . . . . . . . . B . 11 DC C4' . . . . . . . . . rr_1r2l 1
. 1 . 704 . 2 2 11 DC C5 C -0.040 0.831 33.229 . . . 1.0 . . . . . . . . . . . . B . 11 DC C5 . . . . . . . . . rr_1r2l 1
. 1 . 705 . 2 2 11 DC C5' C 0.823 5.636 31.369 . . . 1.0 . . . . . . . . . . . . B . 11 DC C5' . . . . . . . . . rr_1r2l 1
. 1 . 706 . 2 2 11 DC C6 C -0.367 2.136 33.067 . . . 1.0 . . . . . . . . . . . . B . 11 DC C6 . . . . . . . . . rr_1r2l 1
. 1 . 707 . 2 2 11 DC H1' H -3.017 4.016 31.935 . . . 1.0 . . . . . . . . . . . . B . 11 DC H1' . . . . . . . . . rr_1r2l 1
. 1 . 708 . 2 2 11 DC H2' H -0.992 4.440 34.110 . . . 1.0 . . . . . . . . . . . . B . 11 DC H2' . . . . . . . . . rr_1r2l 1
. 1 . 709 . 2 2 11 DC H2'' H -2.685 4.950 34.029 . . . 1.0 . . . . . . . . . . . . B . 11 DC H2'' . . . . . . . . . rr_1r2l 1
. 1 . 710 . 2 2 11 DC H3' H -0.451 6.549 33.408 . . . 1.0 . . . . . . . . . . . . B . 11 DC H3' . . . . . . . . . rr_1r2l 1
. 1 . 711 . 2 2 11 DC H4' H -1.106 6.273 30.672 . . . 1.0 . . . . . . . . . . . . B . 11 DC H4' . . . . . . . . . rr_1r2l 1
. 1 . 712 . 2 2 11 DC H41 H -1.587 -1.924 32.621 . . . 1.0 . . . . . . . . . . . . B . 11 DC H41 . . . . . . . . . rr_1r2l 1
. 1 . 713 . 2 2 11 DC H42 H 0.044 -1.785 33.307 . . . 1.0 . . . . . . . . . . . . B . 11 DC H42 . . . . . . . . . rr_1r2l 1
. 1 . 714 . 2 2 11 DC H5 H 0.925 0.542 33.607 . . . 1.0 . . . . . . . . . . . . B . 11 DC H5 . . . . . . . . . rr_1r2l 1
. 1 . 715 . 2 2 11 DC H5' H 1.087 5.277 30.370 . . . 1.0 . . . . . . . . . . . . B . 11 DC H5' . . . . . . . . . rr_1r2l 1
. 1 . 716 . 2 2 11 DC H5'' H 1.180 6.661 31.474 . . . 1.0 . . . . . . . . . . . . B . 11 DC H5'' . . . . . . . . . rr_1r2l 1
. 1 . 717 . 2 2 11 DC H6 H 0.352 2.892 33.347 . . . 1.0 . . . . . . . . . . . . B . 11 DC H6 . . . . . . . . . rr_1r2l 1
. 1 . 718 . 2 2 11 DC N1 N -1.599 2.488 32.571 . . . 1.0 . . . . . . . . . . . . B . 11 DC N1 . . . . . . . . . rr_1r2l 1
. 1 . 719 . 2 2 11 DC N3 N -2.174 0.205 32.373 . . . 1.0 . . . . . . . . . . . . B . 11 DC N3 . . . . . . . . . rr_1r2l 1
. 1 . 720 . 2 2 11 DC N4 N -0.793 -1.382 32.939 . . . 1.0 . . . . . . . . . . . . B . 11 DC N4 . . . . . . . . . rr_1r2l 1
. 1 . 721 . 2 2 11 DC O2 O -3.688 1.762 32.056 . . . 1.0 . . . . . . . . . . . . B . 11 DC O2 . . . . . . . . . rr_1r2l 1
. 1 . 722 . 2 2 11 DC O3' O -2.358 7.011 32.683 . . . 1.0 . . . . . . . . . . . . B . 11 DC O3' . . . . . . . . . rr_1r2l 1
. 1 . 723 . 2 2 11 DC O4' O -1.169 4.310 31.221 . . . 1.0 . . . . . . . . . . . . B . 11 DC O4' . . . . . . . . . rr_1r2l 1
. 1 . 724 . 2 2 11 DC O5' O 1.430 4.813 32.357 . . . 1.0 . . . . . . . . . . . . B . 11 DC O5' . . . . . . . . . rr_1r2l 1
. 1 . 725 . 2 2 11 DC OP1 O 3.731 5.765 32.254 . . . 1.0 . . . . . . . . . . . . B . 11 DC OP1 . . . . . . . . . rr_1r2l 1
. 1 . 726 . 2 2 11 DC OP2 O 3.256 3.584 33.471 . . . 1.0 . . . . . . . . . . . . B . 11 DC OP2 . . . . . . . . . rr_1r2l 1
. 1 . 727 . 2 2 11 DC P P 3.002 4.480 32.319 . . . 1.0 . . . . . . . . . . . . B . 11 DC P . . . . . . . . . rr_1r2l 1
. 1 . 728 . 2 2 12 DC C1' C -2.230 5.520 37.703 . . . 1.0 . . . . . . . . . . . . B . 12 DC C1' . . . . . . . . . rr_1r2l 1
. 1 . 729 . 2 2 12 DC C2 C -0.769 3.613 37.469 . . . 1.0 . . . . . . . . . . . . B . 12 DC C2 . . . . . . . . . rr_1r2l 1
. 1 . 730 . 2 2 12 DC C2' C -2.216 7.021 37.970 . . . 1.0 . . . . . . . . . . . . B . 12 DC C2' . . . . . . . . . rr_1r2l 1
. 1 . 731 . 2 2 12 DC C3' C -3.705 7.312 37.881 . . . 1.0 . . . . . . . . . . . . B . 12 DC C3' . . . . . . . . . rr_1r2l 1
. 1 . 732 . 2 2 12 DC C4 C 1.187 3.611 36.293 . . . 1.0 . . . . . . . . . . . . B . 12 DC C4 . . . . . . . . . rr_1r2l 1
. 1 . 733 . 2 2 12 DC C4' C -4.184 6.316 36.806 . . . 1.0 . . . . . . . . . . . . B . 12 DC C4' . . . . . . . . . rr_1r2l 1
. 1 . 734 . 2 2 12 DC C5 C 0.969 4.932 35.836 . . . 1.0 . . . . . . . . . . . . B . 12 DC C5 . . . . . . . . . rr_1r2l 1
. 1 . 735 . 2 2 12 DC C5' C -4.207 6.963 35.409 . . . 1.0 . . . . . . . . . . . . B . 12 DC C5' . . . . . . . . . rr_1r2l 1
. 1 . 736 . 2 2 12 DC C6 C -0.134 5.576 36.291 . . . 1.0 . . . . . . . . . . . . B . 12 DC C6 . . . . . . . . . rr_1r2l 1
. 1 . 737 . 2 2 12 DC H1' H -2.502 5.073 38.663 . . . 1.0 . . . . . . . . . . . . B . 12 DC H1' . . . . . . . . . rr_1r2l 1
. 1 . 738 . 2 2 12 DC H2' H -1.705 7.589 37.198 . . . 1.0 . . . . . . . . . . . . B . 12 DC H2' . . . . . . . . . rr_1r2l 1
. 1 . 739 . 2 2 12 DC H2'' H -1.795 7.261 38.945 . . . 1.0 . . . . . . . . . . . . B . 12 DC H2'' . . . . . . . . . rr_1r2l 1
. 1 . 740 . 2 2 12 DC H3' H -3.900 8.350 37.607 . . . 1.0 . . . . . . . . . . . . B . 12 DC H3' . . . . . . . . . rr_1r2l 1
. 1 . 741 . 2 2 12 DC H4' H -5.191 5.968 37.037 . . . 1.0 . . . . . . . . . . . . B . 12 DC H4' . . . . . . . . . rr_1r2l 1
. 1 . 742 . 2 2 12 DC H41 H 1.906 1.869 36.002 . . . 1.0 . . . . . . . . . . . . B . 12 DC H41 . . . . . . . . . rr_1r2l 1
. 1 . 743 . 2 2 12 DC H42 H 2.577 3.140 34.966 . . . 1.0 . . . . . . . . . . . . B . 12 DC H42 . . . . . . . . . rr_1r2l 1
. 1 . 744 . 2 2 12 DC H5 H 1.601 5.372 35.079 . . . 1.0 . . . . . . . . . . . . B . 12 DC H5 . . . . . . . . . rr_1r2l 1
. 1 . 745 . 2 2 12 DC H5' H -4.536 6.231 34.668 . . . 1.0 . . . . . . . . . . . . B . 12 DC H5' . . . . . . . . . rr_1r2l 1
. 1 . 746 . 2 2 12 DC H5'' H -4.925 7.786 35.423 . . . 1.0 . . . . . . . . . . . . B . 12 DC H5'' . . . . . . . . . rr_1r2l 1
. 1 . 747 . 2 2 12 DC H6 H -0.361 6.560 35.898 . . . 1.0 . . . . . . . . . . . . B . 12 DC H6 . . . . . . . . . rr_1r2l 1
. 1 . 748 . 2 2 12 DC N1 N -0.967 4.950 37.189 . . . 1.0 . . . . . . . . . . . . B . 12 DC N1 . . . . . . . . . rr_1r2l 1
. 1 . 749 . 2 2 12 DC N3 N 0.342 2.979 37.065 . . . 1.0 . . . . . . . . . . . . B . 12 DC N3 . . . . . . . . . rr_1r2l 1
. 1 . 750 . 2 2 12 DC N4 N 2.098 2.837 35.817 . . . 1.0 . . . . . . . . . . . . B . 12 DC N4 . . . . . . . . . rr_1r2l 1
. 1 . 751 . 2 2 12 DC O2 O -1.628 2.948 38.039 . . . 1.0 . . . . . . . . . . . . B . 12 DC O2 . . . . . . . . . rr_1r2l 1
. 1 . 752 . 2 2 12 DC O3' O -4.272 7.048 39.157 . . . 1.0 . . . . . . . . . . . . B . 12 DC O3' . . . . . . . . . rr_1r2l 1
. 1 . 753 . 2 2 12 DC O4' O -3.280 5.214 36.810 . . . 1.0 . . . . . . . . . . . . B . 12 DC O4' . . . . . . . . . rr_1r2l 1
. 1 . 754 . 2 2 12 DC O5' O -2.915 7.445 35.102 . . . 1.0 . . . . . . . . . . . . B . 12 DC O5' . . . . . . . . . rr_1r2l 1
. 1 . 755 . 2 2 12 DC OP1 O -3.816 8.963 33.382 . . . 1.0 . . . . . . . . . . . . B . 12 DC OP1 . . . . . . . . . rr_1r2l 1
. 1 . 756 . 2 2 12 DC OP2 O -1.331 8.927 33.962 . . . 1.0 . . . . . . . . . . . . B . 12 DC OP2 . . . . . . . . . rr_1r2l 1
. 1 . 757 . 2 2 12 DC P P -2.598 8.202 33.732 . . . 1.0 . . . . . . . . . . . . B . 12 DC P . . . . . . . . . rr_1r2l 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_1r2l
_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 1r2l.mr . . "MR format" 1 comment "Not applicable" "Not applicable" 0 rr_1r2l 1
1 1r2l.mr . . DISCOVER 2 distance NOE simple 97 rr_1r2l 1
1 1r2l.mr . . DISCOVER 3 distance "hydrogen bond" simple 29 rr_1r2l 1
1 1r2l.mr . . DISCOVER 4 distance NOE simple 15 rr_1r2l 1
1 1r2l.mr . . DISCOVER 5 distance "hydrogen bond" simple 28 rr_1r2l 1
1 1r2l.mr . . DISCOVER 6 "dihedral angle" "Not applicable" "Not applicable" 162 rr_1r2l 1
1 1r2l.mr . . "MR format" 7 "nomenclature mapping" "Not applicable" "Not applicable" 0 rr_1r2l 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_1r2l
_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: '1r2l'" . . . . distance "general distance" . 87 rr_1r2l 1
2 "From CCPN project: '1r2l'" . . . . distance "general distance" . 15 rr_1r2l 1
3 "From CCPN project: '1r2l'" . . . . distance "hydrogen bond" . 25 rr_1r2l 1
4 "From CCPN project: '1r2l'" . . . . distance "hydrogen bond" . 28 rr_1r2l 1
5 "From CCPN project: '1r2l'" . . . . "dihedral angle" "Not applicable" . 162 rr_1r2l 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 1r2l.mr . . "MR format" 1 comment "Not applicable" "Not applicable" 0 rr_1r2l 1
1 1r2l.mr . . DISCOVER 2 distance NOE simple 97 rr_1r2l 1
1 1r2l.mr . . DISCOVER 3 distance "hydrogen bond" simple 29 rr_1r2l 1
1 1r2l.mr . . DISCOVER 4 distance NOE simple 15 rr_1r2l 1
1 1r2l.mr . . DISCOVER 5 distance "hydrogen bond" simple 28 rr_1r2l 1
1 1r2l.mr . . DISCOVER 6 "dihedral angle" "Not applicable" "Not applicable" 162 rr_1r2l 1
1 1r2l.mr . . "MR format" 7 "nomenclature mapping" "Not applicable" "Not applicable" 0 rr_1r2l 1
stop_
save_
save_Discover_distance_constraints_2
_Gen_dist_constraint_list.Sf_category general_distance_constraints
_Gen_dist_constraint_list.Sf_framecode Discover_distance_constraints_2
_Gen_dist_constraint_list.Entry_ID rr_1r2l
_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_1r2l 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 . . 1 1 4 4 DT H2' H . . . 1 1 4 4 DT H6 H . . . . . . 2.78 3.80 . . . . . A . 4 DT H2' . . A . 4 DT H6 . 1 . 4 T H2'1 . . . 1 . 4 T H6 . . rr_1r2l 1
2 1 . . 1 1 7 7 DT H2'' H . . . 1 1 7 7 DT H6 H . . . . . . 2.10 2.69 . . . . . A . 7 DT H2'' . . A . 7 DT H6 . 1 . 7 T H2'2 . . . 1 . 7 T H6 . . rr_1r2l 1
3 1 . . 1 1 8 8 DT H2'' H . . . 1 1 8 8 DT H6 H . . . . . . 2.21 2.82 . . . . . A . 8 DT H2'' . . A . 8 DT H6 . 1 . 8 T H2'2 . . . 1 . 8 T H6 . . rr_1r2l 1
4 1 . . 2 2 1 1 DC H2'' H . . . 2 2 1 1 DC H6 H . . . . . . 2.69 3.24 . . . . . B . 1 DC H2'' . . B . 1 DC H6 . B . 1 C H2'2 . . . B . 1 C H6 . . rr_1r2l 1
5 1 . . 2 2 2 2 DC H2'' H . . . 2 2 2 2 DC H6 H . . . . . . 2.55 3.25 . . . . . B . 2 DC H2'' . . B . 2 DC H6 . B . 2 C H2'2 . . . B . 2 C H6 . . rr_1r2l 1
6 1 . . 1 1 9 9 DT H2' H . . . 1 1 9 9 DT H6 H . . . . . . 2.55 4.00 . . . . . A . 9 DT H2' . . A . 9 DT H6 . 1 . 9 T H2'1 . . . 1 . 9 T H6 . . rr_1r2l 1
7 1 . . 1 1 8 8 DT H6 H . . . 1 1 8 8 DT H2' H . . . . . . 3.10 3.60 . . . . . A . 8 DT H2' . . A . 8 DT H6 . 1 . 8 T H2'1 . . . 1 . 8 T H6 . . rr_1r2l 1
8 1 . . 1 1 7 7 DT H6 H . . . 1 1 7 7 DT H2' H . . . . . . 2.95 3.75 . . . . . A . 7 DT H2' . . A . 7 DT H6 . 1 . 7 T H2'1 . . . 1 . 7 T H6 . . rr_1r2l 1
9 1 . . 2 2 10 10 DT H2' H . . . 2 2 10 10 DT H6 H . . . . . . 2.75 3.50 . . . . . B . 10 DT H2' . . B . 10 DT H6 . B . 10 T H2'1 . . . B . 10 T H6 . . rr_1r2l 1
10 1 . . 2 2 5 5 DT H2' H . . . 2 2 5 5 DT H6 H . . . . . . 2.69 3.43 . . . . . B . 5 DT H2' . . B . 5 DT H6 . B . 5 T H2'1 . . . B . 5 T H6 . . rr_1r2l 1
11 1 . . 2 2 10 10 DT H6 H . . . 2 2 10 10 DT H2'' H . . . . . . 2.11 2.69 . . . . . B . 10 DT H2'' . . B . 10 DT H6 . B . 10 T H2'2 . . . B . 10 T H6 . . rr_1r2l 1
12 1 . . 2 2 6 6 DG H2' H . . . 2 2 6 6 DG H8 H . . . . . . 3.08 3.95 . . . . . B . 6 DG H2' . . B . 6 DG H8 . B . 6 G H2'1 . . . B . 6 G H8 . . rr_1r2l 1
13 1 . . 2 2 7 7 DA H2'' H . . . 2 2 7 7 DA H8 H . . . . . . 2.34 3.00 . . . . . B . 7 DA H2'' . . B . 7 DA H8 . B . 7 A H2'2 . . . B . 7 A H8 . . rr_1r2l 1
14 1 . . 1 1 5 5 DA H2' H . . . 1 1 5 5 DA H8 H . . . . . . 2.90 3.70 . . . . . A . 5 DA H2' . . A . 5 DA H8 . 1 . 5 A H2'1 . . . 1 . 5 A H8 . . rr_1r2l 1
15 1 . . 2 2 8 8 DA H2' H . . . 2 2 8 8 DA H8 H . . . . . . 2.82 3.60 . . . . . B . 8 DA H2' . . B . 8 DA H8 . B . 8 A H2'1 . . . B . 8 A H8 . . rr_1r2l 1
16 1 . . 2 2 9 9 DA H2'' H . . . 2 2 9 9 DA H8 H . . . . . . 2.85 2.91 . . . . . B . 9 DA H2'' . . B . 9 DA H8 . B . 9 A H2'2 . . . B . 9 A H8 . . rr_1r2l 1
17 1 . . 2 2 8 8 DA H8 H . . . 2 2 8 8 DA H2'' H . . . . . . 2.35 3.00 . . . . . B . 8 DA H2'' . . B . 8 DA H8 . B . 8 A H2'2 . . . B . 8 A H8 . . rr_1r2l 1
18 1 . . 1 1 6 6 DA H2'' H . . . 1 1 6 6 DA H8 H . . . . . . 3.00 4.16 . . . . . A . 6 DA H2'' . . A . 6 DA H8 . 1 . 6 A H2'2 . . . 1 . 6 A H8 . . rr_1r2l 1
19 1 . . 1 1 5 5 DA H8 H . . . 1 1 5 5 DA H2'' H . . . . . . 2.33 3.00 . . . . . A . 5 DA H2'' . . A . 5 DA H8 . 1 . 5 A H2'2 . . . 1 . 5 A H8 . . rr_1r2l 1
20 1 . . 2 2 1 1 DC H6 H . . . 2 2 1 1 DC H2' H . . . . . . 3.67 4.68 . . . . . B . 1 DC H2' . . B . 1 DC H6 . B . 1 C H2'1 . . . B . 1 C H6 . . rr_1r2l 1
21 1 . . 1 1 9 9 DT H6 H . . . 1 1 8 8 DT H2' H . . . . . . 2.83 4.04 . . . . . A . 8 DT H2' . . A . 9 DT H6 . 1 . 8 T H2'1 . . . 1 . 9 T H6 . . rr_1r2l 1
22 1 . . 2 2 10 10 DT H6 H . . . 2 2 9 9 DA H2'' H . . . . . . 2.98 4.20 . . . . . B . 9 DA H2'' . . B . 10 DT H6 . B . 9 A H2'2 . . . B . 10 T H6 . . rr_1r2l 1
23 1 . . 2 2 10 10 DT H6 H . . . 2 2 9 9 DA H2' H . . . . . . 2.75 3.50 . . . . . B . 9 DA H2' . . B . 10 DT H6 . B . 9 A H2'1 . . . B . 10 T H6 . . rr_1r2l 1
24 1 . . 2 2 5 5 DT H6 H . . . 2 2 4 4 DA H2' H . . . . . . 2.48 3.16 . . . . . B . 4 DA H2' . . B . 5 DT H6 . B . 4 A H2'1 . . . B . 5 T H6 . . rr_1r2l 1
25 1 . . 2 2 6 6 DG H2' H . . . 2 2 7 7 DA H8 H . . . . . . 2.40 3.10 . . . . . B . 6 DG H2' . . B . 7 DA H8 . B . 6 G H2'1 . . . B . 7 A H8 . . rr_1r2l 1
26 1 . . 1 1 4 4 DT H2' H . . . 1 1 5 5 DA H8 H . . . . . . 3.30 4.20 . . . . . A . 4 DT H2' . . A . 5 DA H8 . 1 . 4 T H2'1 . . . 1 . 5 A H8 . . rr_1r2l 1
27 1 . . 2 2 4 4 DA H8 H . . . 2 2 3 3 DT H2' H . . . . . . 4.00 5.00 . . . . . B . 3 DT H2' . . B . 4 DA H8 . B . 3 T H2'1 . . . B . 4 A H8 . . rr_1r2l 1
28 1 . . 1 1 9 9 DT H2' H . . . 1 1 10 10 DA H8 H . . . . . . 4.15 5.00 . . . . . A . 9 DT H2' . . A . 10 DA H8 . 1 . 9 T H2'1 . . . 1 . 10 A H8 . . rr_1r2l 1
29 1 . . 2 2 7 7 DA H2'' H . . . 2 2 8 8 DA H8 H . . . . . . 3.40 4.30 . . . . . B . 7 DA H2'' . . B . 8 DA H8 . B . 7 A H2'2 . . . B . 8 A H8 . . rr_1r2l 1
30 1 . . 2 2 8 8 DA H8 H . . . 2 2 7 7 DA H2' H . . . . . . 3.85 4.90 . . . . . B . 7 DA H2' . . B . 8 DA H8 . B . 7 A H2'1 . . . B . 8 A H8 . . rr_1r2l 1
31 1 . . 2 2 7 7 DA H8 H . . . 2 2 6 6 DG H1' H . . . . . . 3.10 3.95 . . . . . B . 6 DG H1' . . B . 7 DA H8 . B . 6 G H1' . . . B . 7 A H8 . . rr_1r2l 1
32 1 . . 1 1 4 4 DT H6 H . . . 1 1 4 4 DT H1' H . . . . . . 3.00 3.80 . . . . . A . 4 DT H1' . . A . 4 DT H6 . 1 . 4 T H1' . . . 1 . 4 T H6 . . rr_1r2l 1
33 1 . . 2 2 5 5 DT H6 H . . . 2 2 5 5 DT H1' H . . . . . . 3.10 4.00 . . . . . B . 5 DT H1' . . B . 5 DT H6 . B . 5 T H1' . . . B . 5 T H6 . . rr_1r2l 1
34 1 . . 2 2 3 3 DT H1' H . . . 2 2 3 3 DT H6 H . . . . . . 3.00 3.80 . . . . . B . 3 DT H1' . . B . 3 DT H6 . B . 3 T H1' . . . B . 3 T H6 . . rr_1r2l 1
35 1 . . 1 1 9 9 DT H6 H . . . 1 1 9 9 DT H1' H . . . . . . 3.10 3.94 . . . . . A . 9 DT H1' . . A . 9 DT H6 . 1 . 9 T H1' . . . 1 . 9 T H6 . . rr_1r2l 1
36 1 . . 1 1 7 7 DT H6 H . . . 1 1 7 7 DT H1' H . . . . . . 3.05 3.90 . . . . . A . 7 DT H1' . . A . 7 DT H6 . 1 . 7 T H1' . . . 1 . 7 T H6 . . rr_1r2l 1
37 1 . . 2 2 10 10 DT H6 H . . . 2 2 10 10 DT H1' H . . . . . . 3.20 4.05 . . . . . B . 10 DT H1' . . B . 10 DT H6 . B . 10 T H1' . . . B . 10 T H6 . . rr_1r2l 1
38 1 . . 1 1 8 8 DT H6 H . . . 1 1 8 8 DT H1' H . . . . . . 3.10 3.90 . . . . . A . 8 DT H1' . . A . 8 DT H6 . 1 . 8 T H1' . . . 1 . 8 T H6 . . rr_1r2l 1
39 1 . . 2 2 8 8 DA H8 H . . . 2 2 8 8 DA H1' H . . . . . . 3.10 4.00 . . . . . B . 8 DA H1' . . B . 8 DA H8 . B . 8 A H1' . . . B . 8 A H8 . . rr_1r2l 1
40 1 . . 2 2 7 7 DA H8 H . . . 2 2 7 7 DA H1' H . . . . . . 3.35 4.30 . . . . . B . 7 DA H1' . . B . 7 DA H8 . B . 7 A H1' . . . B . 7 A H8 . . rr_1r2l 1
41 1 . . 2 2 8 8 DA H8 H . . . 2 2 7 7 DA H1' H . . . . . . 3.85 4.90 . . . . . B . 7 DA H1' . . B . 8 DA H8 . B . 7 A H1' . . . B . 8 A H8 . . rr_1r2l 1
42 1 . . 2 2 9 9 DA H8 H . . . 2 2 8 8 DA H1' H . . . . . . 3.30 4.20 . . . . . B . 8 DA H1' . . B . 9 DA H8 . B . 8 A H1' . . . B . 9 A H8 . . rr_1r2l 1
43 1 . . 1 1 3 3 DA H1' H . . . 1 1 3 3 DA H8 H . . . . . . 4.00 5.00 . . . . . A . 3 DA H1' . . A . 3 DA H8 . 1 . 3 A H1' . . . 1 . 3 A H8 . . rr_1r2l 1
44 1 . . 2 2 4 4 DA H8 H . . . 2 2 4 4 DA H1' H . . . . . . 3.60 4.55 . . . . . B . 4 DA H1' . . B . 4 DA H8 . B . 4 A H1' . . . B . 4 A H8 . . rr_1r2l 1
45 1 . . 1 1 10 10 DA H8 H . . . 1 1 10 10 DA H1' H . . . . . . 3.60 4.60 . . . . . A . 10 DA H1' . . A . 10 DA H8 . 1 . 10 A H1' . . . 1 . 10 A H8 . . rr_1r2l 1
46 1 . . 1 1 4 4 DT H6 H . . . 1 1 3 3 DA H1' H . . . . . . 3.90 5.00 . . . . . A . 3 DA H1' . . A . 4 DT H6 . 1 . 3 A H1' . . . 1 . 4 T H6 . . rr_1r2l 1
47 1 . . 2 2 5 5 DT H6 H . . . 2 2 4 4 DA H1' H . . . . . . 3.50 4.40 . . . . . B . 4 DA H1' . . B . 5 DT H6 . B . 4 A H1' . . . B . 5 T H6 . . rr_1r2l 1
48 1 . . 1 1 7 7 DT H6 H . . . 1 1 6 6 DA H1' H . . . . . . 3.70 4.70 . . . . . A . 6 DA H1' . . A . 7 DT H6 . 1 . 6 A H1' . . . 1 . 7 T H6 . . rr_1r2l 1
49 1 . . 2 2 10 10 DT H6 H . . . 2 2 9 9 DA H1' H . . . . . . 3.35 4.25 . . . . . B . 9 DA H1' . . B . 10 DT H6 . B . 9 A H1' . . . B . 10 T H6 . . rr_1r2l 1
50 1 . . 2 2 4 4 DA H8 H . . . 2 2 3 3 DT H1' H . . . . . . 4.20 4.80 . . . . . B . 3 DT H1' . . B . 4 DA H8 . B . 3 T H1' . . . B . 4 A H8 . . rr_1r2l 1
51 1 . . 1 1 10 10 DA H8 H . . . 1 1 9 9 DT H1' H . . . . . . 4.20 4.80 . . . . . A . 9 DT H1' . . A . 10 DA H8 . 1 . 9 T H1' . . . 1 . 10 A H8 . . rr_1r2l 1
52 1 . . 1 1 6 6 DA H8 H . . . 1 1 5 5 DA H1' H . . . . . . 4.20 4.80 . . . . . A . 5 DA H1' . . A . 6 DA H8 . 1 . 5 A H1' . . . 1 . 6 A H8 . . rr_1r2l 1
53 1 . . 2 2 6 6 DG H8 H . . . 2 2 5 5 DT H1' H . . . . . . 4.20 5.00 . . . . . B . 5 DT H1' . . B . 6 DG H8 . B . 5 T H1' . . . B . 6 G H8 . . rr_1r2l 1
54 1 . . 1 1 8 8 DT H6 H . . . 1 1 7 7 DT H1' H . . . . . . 4.20 4.80 . . . . . A . 7 DT H1' . . A . 8 DT H6 . 1 . 7 T H1' . . . 1 . 8 T H6 . . rr_1r2l 1
55 1 . . 1 1 4 4 DT H1' H . . . 1 1 4 4 DT H2'' H . . . . . . 2.35 3.00 . . . . . A . 4 DT H2'' . . A . 4 DT H1' . 1 . 4 T H2'2 . . . 1 . 4 T H1' . . rr_1r2l 1
56 1 . . 2 2 3 3 DT H2' H . . . 2 2 3 3 DT H1' H . . . . . . 2.05 2.60 . . . . . B . 3 DT H2' . . B . 3 DT H1' . B . 3 T H2'1 . . . B . 3 T H1' . . rr_1r2l 1
57 1 . . 1 1 9 9 DT H2' H . . . 1 1 9 9 DT H1' H . . . . . . 2.35 3.00 . . . . . A . 9 DT H2' . . A . 9 DT H1' . 1 . 9 T H2'1 . . . 1 . 9 T H1' . . rr_1r2l 1
58 1 . . 1 1 4 4 DT H2' H . . . 1 1 4 4 DT H1' H . . . . . . 2.65 3.40 . . . . . A . 4 DT H2' . . A . 4 DT H1' . 1 . 4 T H2'1 . . . 1 . 4 T H1' . . rr_1r2l 1
59 1 . . 2 2 7 7 DA H2' H . . . 2 2 7 7 DA H1' H . . . . . . 2.25 2.90 . . . . . B . 7 DA H2' . . B . 7 DA H1' . B . 7 A H2'1 . . . B . 7 A H1' . . rr_1r2l 1
60 1 . . 2 2 9 9 DA H2'' H . . . 2 2 9 9 DA H1' H . . . . . . 2.60 3.30 . . . . . B . 9 DA H2'' . . B . 9 DA H1' . B . 9 A H2'2 . . . B . 9 A H1' . . rr_1r2l 1
61 1 . . 1 1 5 5 DA H2' H . . . 1 1 5 5 DA H1' H . . . . . . 2.25 2.90 . . . . . A . 5 DA H2' . . A . 5 DA H1' . 1 . 5 A H2'1 . . . 1 . 5 A H1' . . rr_1r2l 1
62 1 . . 2 2 8 8 DA H2'' H . . . 2 2 8 8 DA H1' H . . . . . . 2.60 3.30 . . . . . B . 8 DA H2'' . . B . 8 DA H1' . B . 8 A H2'2 . . . B . 8 A H1' . . rr_1r2l 1
63 1 . . 2 2 9 9 DA H2' H . . . 2 2 9 9 DA H1' H . . . . . . 2.20 2.80 . . . . . B . 9 DA H2' . . B . 9 DA H1' . B . 9 A H2'1 . . . B . 9 A H1' . . rr_1r2l 1
64 1 . . 2 2 8 8 DA H2' H . . . 2 2 8 8 DA H1' H . . . . . . 2.20 2.80 . . . . . B . 8 DA H2' . . B . 8 DA H1' . B . 8 A H2'1 . . . B . 8 A H1' . . rr_1r2l 1
65 1 . . 1 1 6 6 DA H1' H . . . 1 1 6 6 DA H2' H . . . . . . 2.15 2.70 . . . . . A . 6 DA H2' . . A . 6 DA H1' . 1 . 6 A H2'1 . . . 1 . 6 A H1' . . rr_1r2l 1
66 1 . . 2 2 7 7 DA H2'' H . . . 2 2 7 7 DA H1' H . . . . . . 2.65 3.40 . . . . . B . 7 DA H2'' . . B . 7 DA H1' . B . 7 A H2'2 . . . B . 7 A H1' . . rr_1r2l 1
67 1 . . 1 1 5 5 DA H2'' H . . . 1 1 5 5 DA H1' H . . . . . . 2.65 3.35 . . . . . A . 5 DA H2'' . . A . 5 DA H1' . 1 . 5 A H2'2 . . . 1 . 5 A H1' . . rr_1r2l 1
68 1 . . 2 2 3 3 DT H1' H . . . 2 2 3 3 DT H2'' H . . . . . . 2.95 3.75 . . . . . B . 3 DT H2'' . . B . 3 DT H1' . B . 3 T H2'2 . . . B . 3 T H1' . . rr_1r2l 1
69 1 . . 2 2 5 5 DT H2'' H . . . 2 2 5 5 DT H1' H . . . . . . 2.65 3.40 . . . . . B . 5 DT H2'' . . B . 5 DT H1' . B . 5 T H2'2 . . . B . 5 T H1' . . rr_1r2l 1
70 1 . . 1 1 9 9 DT H1' H . . . 1 1 9 9 DT H2'' H . . . . . . 2.85 3.60 . . . . . A . 9 DT H2'' . . A . 9 DT H1' . 1 . 9 T H2'2 . . . 1 . 9 T H1' . . rr_1r2l 1
71 1 . . 1 1 7 7 DT H2'' H . . . 1 1 7 7 DT H1' H . . . . . . 2.70 3.40 . . . . . A . 7 DT H2'' . . A . 7 DT H1' . 1 . 7 T H2'2 . . . 1 . 7 T H1' . . rr_1r2l 1
72 1 . . 2 2 3 3 DT H1' H . . . 2 2 3 3 DT H4' H . . . . . . 2.15 2.70 . . . . . B . 3 DT H4' . . B . 3 DT H1' . B . 3 T H4' . . . B . 3 T H1' . . rr_1r2l 1
73 1 . . 1 1 4 4 DT H1' H . . . 1 1 4 4 DT H3' H . . . . . . 2.60 3.60 . . . . . A . 4 DT H3' . . A . 4 DT H1' . 1 . 4 T H3' . . . 1 . 4 T H1' . . rr_1r2l 1
74 1 . . 1 1 5 5 DA H1' H . . . 1 1 5 5 DA H4' H . . . . . . 2.20 2.80 . . . . . A . 5 DA H4' . . A . 5 DA H1' . 1 . 5 A H4' . . . 1 . 5 A H1' . . rr_1r2l 1
75 1 . . 2 2 8 8 DA H1' H . . . 2 2 8 8 DA H4' H . . . . . . 2.27 2.90 . . . . . B . 8 DA H4' . . B . 8 DA H1' . B . 8 A H4' . . . B . 8 A H1' . . rr_1r2l 1
76 1 . . 2 2 6 6 DG H1' H . . . 2 2 6 6 DG H3' H . . . . . . 2.65 3.60 . . . . . B . 6 DG H3' . . B . 6 DG H1' . B . 6 G H3' . . . B . 6 G H1' . . rr_1r2l 1
77 1 . . 1 1 9 9 DT H1' H . . . 1 1 9 9 DT H4' H . . . . . . 2.45 3.10 . . . . . A . 9 DT H4' . . A . 9 DT H1' . 1 . 9 T H4' . . . 1 . 9 T H1' . . rr_1r2l 1
78 1 . . 2 2 3 3 DT H1' H . . . 2 2 3 3 DT H3' H . . . . . . 2.75 3.50 . . . . . B . 3 DT H3' . . B . 3 DT H1' . B . 3 T H3' . . . B . 3 T H1' . . rr_1r2l 1
79 1 . . 1 1 9 9 DT H1' H . . . 1 1 9 9 DT H3' H . . . . . . 3.00 3.80 . . . . . A . 9 DT H3' . . A . 9 DT H1' . 1 . 9 T H3' . . . 1 . 9 T H1' . . rr_1r2l 1
80 1 . . 1 1 10 10 DA H1' H . . . 1 1 10 10 DA H4' H . . . . . . 2.90 3.70 . . . . . A . 10 DA H4' . . A . 10 DA H1' . 1 . 10 A H4' . . . 1 . 10 A H1' . . rr_1r2l 1
81 1 . . 2 2 8 8 DA H1' H . . . 2 2 8 8 DA H3' H . . . . . . 2.50 3.60 . . . . . B . 8 DA H3' . . B . 8 DA H1' . B . 8 A H3' . . . B . 8 A H1' . . rr_1r2l 1
82 1 . . 1 1 4 4 DT H1' H . . . 1 1 4 4 DT H4' H . . . . . . 2.90 3.70 . . . . . A . 4 DT H4' . . A . 4 DT H1' . 1 . 4 T H4' . . . 1 . 4 T H1' . . rr_1r2l 1
83 1 . . 1 1 5 5 DA H1' H . . . 1 1 5 5 DA H3' H . . . . . . 3.25 4.10 . . . . . A . 5 DA H3' . . A . 5 DA H1' . 1 . 5 A H3' . . . 1 . 5 A H1' . . rr_1r2l 1
84 1 . . 1 1 10 10 DA H1' H . . . 1 1 10 10 DA H3' H . . . . . . 3.35 4.30 . . . . . A . 10 DA H3' . . A . 10 DA H1' . 1 . 10 A H3' . . . 1 . 10 A H1' . . rr_1r2l 1
85 1 . . 2 2 7 7 DA H1' H . . . 2 2 7 7 DA H3' H . . . . . . 2.85 3.65 . . . . . B . 7 DA H3' . . B . 7 DA H1' . B . 7 A H3' . . . B . 7 A H1' . . rr_1r2l 1
86 1 . . 2 2 6 6 DG H1' H . . . 2 2 6 6 DG H4' H . . . . . . 3.20 4.05 . . . . . B . 6 DG H4' . . B . 6 DG H1' . B . 6 G H4' . . . B . 6 G H1' . . rr_1r2l 1
87 1 . . 2 2 7 7 DA H1' H . . . 2 2 7 7 DA H4' H . . . . . . 3.05 3.90 . . . . . B . 7 DA H4' . . B . 7 DA H1' . B . 7 A H4' . . . B . 7 A H1' . . rr_1r2l 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
;BIOSYM restraint 1
NOE distances
distance
;
2 1 4 11 rr_1r2l 1
2 "1:G_6B:H2'2 1:G_6B:H8 2.56 3.26 30.0 30.0 1000.0" 18 1 18 49 rr_1r2l 1
3 "1:G_6B:H1' 1:G_6B:H8 3.6 4.6 30.0 30.0 1000.0" 54 1 54 46 rr_1r2l 1
4
;1:G_6B:H2'1 1:G_6B:H8 2.25 2.9 30.0 30.0 1000.0
1:G_6B:H2'2 1:G_6B:H8 2.6 3.35 30.0 30.0 1000.0
;
74 1 75 48 rr_1r2l 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) '1.2.H2'2' (nmrStar names) not linked" rr_1r2l 1
2 2 22 1 "Not handling restraint 22, item 1, resonance(s) 'B.5.H5M1' (nmrStar names) not linked" rr_1r2l 1
3 2 23 1 "Not handling restraint 23, item 1, resonance(s) 'B.10.H5M1' (nmrStar names) not linked" rr_1r2l 1
4 2 24 1 "Not handling restraint 24, item 1, resonance(s) '1.7.H5M1' (nmrStar names) not linked" rr_1r2l 1
5 2 25 1 "Not handling restraint 25, item 1, resonance(s) 'B.5.H5M1' (nmrStar names) not linked" rr_1r2l 1
6 2 26 1 "Not handling restraint 26, item 1, resonance(s) '1.8.H5M1' (nmrStar names) not linked" rr_1r2l 1
7 2 32 1 "Not handling restraint 32, item 1, resonance(s) 'B.5.H5M1' (nmrStar names) not linked" rr_1r2l 1
8 2 33 1 "Not handling restraint 33, item 1, resonance(s) 'B.10.H5M1' (nmrStar names) not linked" rr_1r2l 1
9 2 34 1 "Not handling restraint 34, item 1, resonance(s) '1.7.H5M1' (nmrStar names) not linked" rr_1r2l 1
10 2 64 1 "Not handling restraint 64, item 1, resonance(s) '1.4.H5M1' (nmrStar names) not linked" rr_1r2l 1
stop_
save_
save_Discover_distance_constraints_4
_Gen_dist_constraint_list.Sf_category general_distance_constraints
_Gen_dist_constraint_list.Sf_framecode Discover_distance_constraints_4
_Gen_dist_constraint_list.Entry_ID rr_1r2l
_Gen_dist_constraint_list.ID 3
_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 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_1r2l 2
stop_
loop_
_Gen_dist_constraint.ID
_Gen_dist_constraint.Member_ID
_Gen_dist_constraint.Member_logic_code
_Gen_dist_constraint.Assembly_atom_ID_1
_Gen_dist_constraint.Entity_assembly_ID_1
_Gen_dist_constraint.Entity_ID_1
_Gen_dist_constraint.Comp_index_ID_1
_Gen_dist_constraint.Seq_ID_1
_Gen_dist_constraint.Comp_ID_1
_Gen_dist_constraint.Atom_ID_1
_Gen_dist_constraint.Atom_type_1
_Gen_dist_constraint.Atom_isotope_number_1
_Gen_dist_constraint.Resonance_ID_1
_Gen_dist_constraint.Assembly_atom_ID_2
_Gen_dist_constraint.Entity_assembly_ID_2
_Gen_dist_constraint.Entity_ID_2
_Gen_dist_constraint.Comp_index_ID_2
_Gen_dist_constraint.Seq_ID_2
_Gen_dist_constraint.Comp_ID_2
_Gen_dist_constraint.Atom_ID_2
_Gen_dist_constraint.Atom_type_2
_Gen_dist_constraint.Atom_isotope_number_2
_Gen_dist_constraint.Resonance_ID_2
_Gen_dist_constraint.Intensity_val
_Gen_dist_constraint.Intensity_lower_val_err
_Gen_dist_constraint.Intensity_upper_val_err
_Gen_dist_constraint.Distance_val
_Gen_dist_constraint.Distance_lower_bound_val
_Gen_dist_constraint.Distance_upper_bound_val
_Gen_dist_constraint.Contribution_fractional_val
_Gen_dist_constraint.Spectral_peak_ID
_Gen_dist_constraint.Spectral_peak_list_ID
_Gen_dist_constraint.PDB_record_ID_1
_Gen_dist_constraint.PDB_model_num_1
_Gen_dist_constraint.PDB_strand_ID_1
_Gen_dist_constraint.PDB_ins_code_1
_Gen_dist_constraint.PDB_residue_no_1
_Gen_dist_constraint.PDB_residue_name_1
_Gen_dist_constraint.PDB_atom_name_1
_Gen_dist_constraint.PDB_record_ID_2
_Gen_dist_constraint.PDB_model_num_2
_Gen_dist_constraint.PDB_strand_ID_2
_Gen_dist_constraint.PDB_ins_code_2
_Gen_dist_constraint.PDB_residue_no_2
_Gen_dist_constraint.PDB_residue_name_2
_Gen_dist_constraint.PDB_atom_name_2
_Gen_dist_constraint.Auth_entity_assembly_ID_1
_Gen_dist_constraint.Auth_asym_ID_1
_Gen_dist_constraint.Auth_chain_ID_1
_Gen_dist_constraint.Auth_seq_ID_1
_Gen_dist_constraint.Auth_comp_ID_1
_Gen_dist_constraint.Auth_atom_ID_1
_Gen_dist_constraint.Auth_alt_ID_1
_Gen_dist_constraint.Auth_atom_name_1
_Gen_dist_constraint.Auth_entity_assembly_ID_2
_Gen_dist_constraint.Auth_asym_ID_2
_Gen_dist_constraint.Auth_chain_ID_2
_Gen_dist_constraint.Auth_seq_ID_2
_Gen_dist_constraint.Auth_comp_ID_2
_Gen_dist_constraint.Auth_atom_ID_2
_Gen_dist_constraint.Auth_alt_ID_2
_Gen_dist_constraint.Auth_atom_name_2
_Gen_dist_constraint.Entry_ID
_Gen_dist_constraint.Gen_dist_constraint_list_ID
1 1 . . 2 2 3 3 DT H3 H . . . 1 1 3 3 DA H2 H . . . . . . 3.3 4.0 . . . . . B . 3 DT H3 . . A . 3 DA H2 . B . 3 T H3 . . . 1 . 3 A H2 . . rr_1r2l 2
2 1 . . 2 2 3 3 DT H3 H . . . 2 2 4 4 DA H2 H . . . . . . 3.4 4.4 . . . . . B . 3 DT H3 . . B . 4 DA H2 . B . 3 T H3 . . . B . 4 A H2 . . rr_1r2l 2
3 1 . . 1 1 4 4 DT H3 H . . . 1 1 5 5 DA H2 H . . . . . . 3.4 4.4 . . . . . A . 4 DT H3 . . A . 5 DA H2 . 1 . 4 T H3 . . . 1 . 5 A H2 . . rr_1r2l 2
4 1 . . 1 1 3 3 DA H2 H . . . 1 1 4 4 DT H3 H . . . . . . 3.4 4.4 . . . . . A . 4 DT H3 . . A . 3 DA H2 . 1 . 4 T H3 . . . 1 . 3 A H2 . . rr_1r2l 2
5 1 . . 2 2 4 4 DA H2 H . . . 1 1 4 4 DT H3 H . . . . . . 3.3 4.0 . . . . . A . 4 DT H3 . . B . 4 DA H2 . 1 . 4 T H3 . . . B . 4 A H2 . . rr_1r2l 2
6 1 . . 2 2 4 4 DA H2 H . . . 2 2 5 5 DT H3 H . . . . . . 3.4 4.4 . . . . . B . 5 DT H3 . . B . 4 DA H2 . B . 5 T H3 . . . B . 4 A H2 . . rr_1r2l 2
7 1 . . 1 1 5 5 DA H2 H . . . 2 2 5 5 DT H3 H . . . . . . 3.3 4.0 . . . . . B . 5 DT H3 . . A . 5 DA H2 . B . 5 T H3 . . . 1 . 5 A H2 . . rr_1r2l 2
8 1 . . 2 2 6 6 DG H1 H . . . 1 1 6 6 DA H2 H . . . . . . 3.3 4.0 . . . . . B . 6 DG H1 . . A . 6 DA H2 . B . 6 G H1 . . . 1 . 6 A H2 . . rr_1r2l 2
9 1 . . 1 1 7 7 DT H3 H . . . 2 2 7 7 DA H2 H . . . . . . 3.3 4.0 . . . . . A . 7 DT H3 . . B . 7 DA H2 . 1 . 7 T H3 . . . B . 7 A H2 . . rr_1r2l 2
10 1 . . 1 1 8 8 DT H3 H . . . 2 2 8 8 DA H2 H . . . . . . 3.3 4.0 . . . . . A . 8 DT H3 . . B . 8 DA H2 . 1 . 8 T H3 . . . B . 8 A H2 . . rr_1r2l 2
11 1 . . 2 2 7 7 DA H2 H . . . 1 1 8 8 DT H3 H . . . . . . 3.4 4.4 . . . . . A . 8 DT H3 . . B . 7 DA H2 . 1 . 8 T H3 . . . B . 7 A H2 . . rr_1r2l 2
12 1 . . 2 2 8 8 DA H2 H . . . 1 1 9 9 DT H3 H . . . . . . 3.4 4.4 . . . . . A . 9 DT H3 . . B . 8 DA H2 . 1 . 9 T H3 . . . B . 8 A H2 . . rr_1r2l 2
13 1 . . 1 1 9 9 DT H3 H . . . 2 2 9 9 DA H2 H . . . . . . 3.3 4.0 . . . . . A . 9 DT H3 . . B . 9 DA H2 . 1 . 9 T H3 . . . B . 9 A H2 . . rr_1r2l 2
14 1 . . 1 1 9 9 DT H3 H . . . 1 1 10 10 DA H2 H . . . . . . 3.4 4.4 . . . . . A . 9 DT H3 . . A . 10 DA H2 . 1 . 9 T H3 . . . 1 . 10 A H2 . . rr_1r2l 2
15 1 . . 2 2 9 9 DA H2 H . . . 2 2 10 10 DT H3 H . . . . . . 3.4 4.4 . . . . . B . 10 DT H3 . . B . 9 DA H2 . B . 10 T H3 . . . B . 9 A H2 . . rr_1r2l 2
stop_
loop_
_Gen_dist_constraint_comment_org.ID
_Gen_dist_constraint_comment_org.Comment_text
_Gen_dist_constraint_comment_org.Comment_begin_line
_Gen_dist_constraint_comment_org.Comment_begin_column
_Gen_dist_constraint_comment_org.Comment_end_line
_Gen_dist_constraint_comment_org.Comment_end_column
_Gen_dist_constraint_comment_org.Entry_ID
_Gen_dist_constraint_comment_org.Gen_dist_constraint_list_ID
1 "AH2-TNH3 constraint" 1 1 1 20 rr_1r2l 2
2 "1:T_10B:H3 1:A_10:H2 3.3 4.0 50.00 50.00 1000.00" 16 1 16 70 rr_1r2l 2
stop_
save_
save_Discover_distance_constraints_3
_Gen_dist_constraint_list.Sf_category general_distance_constraints
_Gen_dist_constraint_list.Sf_framecode Discover_distance_constraints_3
_Gen_dist_constraint_list.Entry_ID rr_1r2l
_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 3
loop_
_Gen_dist_constraint_software.Software_ID
_Gen_dist_constraint_software.Software_label
_Gen_dist_constraint_software.Method_ID
_Gen_dist_constraint_software.Method_label
_Gen_dist_constraint_software.Entry_ID
_Gen_dist_constraint_software.Gen_dist_constraint_list_ID
. . . . rr_1r2l 3
stop_
loop_
_Gen_dist_constraint.ID
_Gen_dist_constraint.Member_ID
_Gen_dist_constraint.Member_logic_code
_Gen_dist_constraint.Assembly_atom_ID_1
_Gen_dist_constraint.Entity_assembly_ID_1
_Gen_dist_constraint.Entity_ID_1
_Gen_dist_constraint.Comp_index_ID_1
_Gen_dist_constraint.Seq_ID_1
_Gen_dist_constraint.Comp_ID_1
_Gen_dist_constraint.Atom_ID_1
_Gen_dist_constraint.Atom_type_1
_Gen_dist_constraint.Atom_isotope_number_1
_Gen_dist_constraint.Resonance_ID_1
_Gen_dist_constraint.Assembly_atom_ID_2
_Gen_dist_constraint.Entity_assembly_ID_2
_Gen_dist_constraint.Entity_ID_2
_Gen_dist_constraint.Comp_index_ID_2
_Gen_dist_constraint.Seq_ID_2
_Gen_dist_constraint.Comp_ID_2
_Gen_dist_constraint.Atom_ID_2
_Gen_dist_constraint.Atom_type_2
_Gen_dist_constraint.Atom_isotope_number_2
_Gen_dist_constraint.Resonance_ID_2
_Gen_dist_constraint.Intensity_val
_Gen_dist_constraint.Intensity_lower_val_err
_Gen_dist_constraint.Intensity_upper_val_err
_Gen_dist_constraint.Distance_val
_Gen_dist_constraint.Distance_lower_bound_val
_Gen_dist_constraint.Distance_upper_bound_val
_Gen_dist_constraint.Contribution_fractional_val
_Gen_dist_constraint.Spectral_peak_ID
_Gen_dist_constraint.Spectral_peak_list_ID
_Gen_dist_constraint.PDB_record_ID_1
_Gen_dist_constraint.PDB_model_num_1
_Gen_dist_constraint.PDB_strand_ID_1
_Gen_dist_constraint.PDB_ins_code_1
_Gen_dist_constraint.PDB_residue_no_1
_Gen_dist_constraint.PDB_residue_name_1
_Gen_dist_constraint.PDB_atom_name_1
_Gen_dist_constraint.PDB_record_ID_2
_Gen_dist_constraint.PDB_model_num_2
_Gen_dist_constraint.PDB_strand_ID_2
_Gen_dist_constraint.PDB_ins_code_2
_Gen_dist_constraint.PDB_residue_no_2
_Gen_dist_constraint.PDB_residue_name_2
_Gen_dist_constraint.PDB_atom_name_2
_Gen_dist_constraint.Auth_entity_assembly_ID_1
_Gen_dist_constraint.Auth_asym_ID_1
_Gen_dist_constraint.Auth_chain_ID_1
_Gen_dist_constraint.Auth_seq_ID_1
_Gen_dist_constraint.Auth_comp_ID_1
_Gen_dist_constraint.Auth_atom_ID_1
_Gen_dist_constraint.Auth_alt_ID_1
_Gen_dist_constraint.Auth_atom_name_1
_Gen_dist_constraint.Auth_entity_assembly_ID_2
_Gen_dist_constraint.Auth_asym_ID_2
_Gen_dist_constraint.Auth_chain_ID_2
_Gen_dist_constraint.Auth_seq_ID_2
_Gen_dist_constraint.Auth_comp_ID_2
_Gen_dist_constraint.Auth_atom_ID_2
_Gen_dist_constraint.Auth_alt_ID_2
_Gen_dist_constraint.Auth_atom_name_2
_Gen_dist_constraint.Entry_ID
_Gen_dist_constraint.Gen_dist_constraint_list_ID
1 1 . . 1 1 6 6 DA C1' C . . . 2 2 6 6 DG C1' C . . . . . . 12.30 13.20 . . . . . A . 6 DA C1' . . B . 6 DG C1' . 1 . 6 A C1' . . . B . 6 G C1' . . rr_1r2l 3
2 1 . . 1 1 1 1 DNR O2 O . . . 2 2 1 1 DC H42 H . . . . . . 1.92 2.20 . . . . . A . 1 DNR O2 . . B . 1 DC H42 . 1 . 1 C O2 . . . B . 1 C H42 . . rr_1r2l 3
3 1 . . 1 1 1 1 DNR H42 H . . . 2 2 1 1 DC O2 O . . . . . . 1.92 2.20 . . . . . A . 1 DNR H42 . . B . 1 DC O2 . 1 . 1 C H42 . . . B . 1 C O2 . . rr_1r2l 3
4 1 . . 1 1 2 2 DNR O2 O . . . 2 2 2 2 DC H42 H . . . . . . 1.92 2.20 . . . . . A . 2 DNR O2 . . B . 2 DC H42 . 1 . 2 C O2 . . . B . 2 C H42 . . rr_1r2l 3
5 1 . . 1 1 2 2 DNR H42 H . . . 2 2 2 2 DC O2 O . . . . . . 1.92 2.20 . . . . . A . 2 DNR H42 . . B . 2 DC O2 . 1 . 2 C H42 . . . B . 2 C O2 . . rr_1r2l 3
6 1 . . 1 1 3 3 DA H61 H . . . 2 2 3 3 DT O2 O . . . . . . 1.92 2.20 . . . . . A . 3 DA H61 . . B . 3 DT O2 . 1 . 3 A H61 . . . B . 3 T O2 . . rr_1r2l 3
7 1 . . 2 2 3 3 DT H3 H . . . 1 1 3 3 DA N1 N . . . . . . 1.92 2.20 . . . . . A . 3 DA N1 . . B . 3 DT H3 . 1 . 3 A N1 . . . B . 3 T H3 . . rr_1r2l 3
8 1 . . 1 1 4 4 DT O2 O . . . 2 2 4 4 DA H61 H . . . . . . 1.92 2.20 . . . . . A . 4 DT O2 . . B . 4 DA H61 . 1 . 4 T O2 . . . B . 4 A H61 . . rr_1r2l 3
9 1 . . 1 1 4 4 DT H3 H . . . 2 2 4 4 DA N1 N . . . . . . 1.92 2.20 . . . . . A . 4 DT H3 . . B . 4 DA N1 . 1 . 4 T H3 . . . B . 4 A N1 . . rr_1r2l 3
10 1 . . 1 1 5 5 DA H61 H . . . 2 2 5 5 DT O2 O . . . . . . 1.92 2.20 . . . . . A . 5 DA H61 . . B . 5 DT O2 . 1 . 5 A H61 . . . B . 5 T O2 . . rr_1r2l 3
11 1 . . 2 2 5 5 DT H3 H . . . 1 1 5 5 DA N1 N . . . . . . 1.92 2.20 . . . . . A . 5 DA N1 . . B . 5 DT H3 . 1 . 5 A N1 . . . B . 5 T H3 . . rr_1r2l 3
12 1 . . 1 1 6 6 DA H61 H . . . 2 2 6 6 DG O6 O . . . . . . 1.92 2.20 . . . . . A . 6 DA H61 . . B . 6 DG O6 . 1 . 6 A H61 . . . B . 6 G O6 . . rr_1r2l 3
13 1 . . 2 2 6 6 DG H1 H . . . 1 1 6 6 DA N1 N . . . . . . 1.92 2.22 . . . . . A . 6 DA N1 . . B . 6 DG H1 . 1 . 6 A N1 . . . B . 6 G H1 . . rr_1r2l 3
14 1 . . 1 1 7 7 DT O2 O . . . 2 2 7 7 DA H61 H . . . . . . 1.92 2.20 . . . . . A . 7 DT O2 . . B . 7 DA H61 . 1 . 7 T O2 . . . B . 7 A H61 . . rr_1r2l 3
15 1 . . 1 1 7 7 DT H3 H . . . 2 2 7 7 DA N1 N . . . . . . 1.92 2.20 . . . . . A . 7 DT H3 . . B . 7 DA N1 . 1 . 7 T H3 . . . B . 7 A N1 . . rr_1r2l 3
16 1 . . 1 1 8 8 DT O2 O . . . 2 2 8 8 DA H61 H . . . . . . 1.92 2.20 . . . . . A . 8 DT O2 . . B . 8 DA H61 . 1 . 8 T O2 . . . B . 8 A H61 . . rr_1r2l 3
17 1 . . 1 1 8 8 DT H3 H . . . 2 2 8 8 DA N1 N . . . . . . 1.92 2.20 . . . . . A . 8 DT H3 . . B . 8 DA N1 . 1 . 8 T H3 . . . B . 8 A N1 . . rr_1r2l 3
18 1 . . 1 1 9 9 DT O2 O . . . 2 2 9 9 DA H61 H . . . . . . 1.92 2.20 . . . . . A . 9 DT O2 . . B . 9 DA H61 . 1 . 9 T O2 . . . B . 9 A H61 . . rr_1r2l 3
19 1 . . 1 1 9 9 DT H3 H . . . 2 2 9 9 DA N1 N . . . . . . 1.92 2.20 . . . . . A . 9 DT H3 . . B . 9 DA N1 . 1 . 9 T H3 . . . B . 9 A N1 . . rr_1r2l 3
20 1 . . 1 1 10 10 DA H61 H . . . 2 2 10 10 DT O2 O . . . . . . 1.92 2.20 . . . . . A . 10 DA H61 . . B . 10 DT O2 . 1 . 10 A H61 . . . B . 10 T O2 . . rr_1r2l 3
21 1 . . 2 2 10 10 DT H3 H . . . 1 1 10 10 DA N1 N . . . . . . 1.92 2.20 . . . . . A . 10 DA N1 . . B . 10 DT H3 . 1 . 10 A N1 . . . B . 10 T H3 . . rr_1r2l 3
22 1 . . 2 2 11 11 DC O2 O . . . 1 1 11 11 DNR H42 H . . . . . . 1.92 2.20 . . . . . B . 11 DC O2 . . A . 11 DNR H42 . B . 11 C O2 . . . 1 . 11 C H42 . . rr_1r2l 3
23 1 . . 2 2 11 11 DC H42 H . . . 1 1 11 11 DNR O2 O . . . . . . 1.92 2.20 . . . . . B . 11 DC H42 . . A . 11 DNR O2 . B . 11 C H42 . . . 1 . 11 C O2 . . rr_1r2l 3
24 1 . . 2 2 12 12 DC O2 O . . . 1 1 12 12 DNR H42 H . . . . . . 1.92 2.20 . . . . . B . 12 DC O2 . . A . 12 DNR H42 . B . 12 C O2 . . . 1 . 12 C H42 . . rr_1r2l 3
25 1 . . 2 2 12 12 DC H42 H . . . 1 1 12 12 DNR O2 O . . . . . . 1.92 2.20 . . . . . B . 12 DC H42 . . A . 12 DNR O2 . B . 12 C H42 . . . 1 . 12 C O2 . . rr_1r2l 3
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
;hydrogen bond
distance
;
1 1 2 9 rr_1r2l 3
stop_
loop_
_Gen_dist_constraint_conv_err.ID
_Gen_dist_constraint_conv_err.Gen_dist_constraint_parse_file_ID
_Gen_dist_constraint_conv_err.Parse_file_constraint_ID
_Gen_dist_constraint_conv_err.Conv_error_type
_Gen_dist_constraint_conv_err.Conv_error_note
_Gen_dist_constraint_conv_err.Entry_ID
_Gen_dist_constraint_conv_err.Gen_dist_constraint_list_ID
1 3 26 1 "Not handling restraint 26, item 1, resonance(s) '1.1.H3' (nmrStar names) not linked" rr_1r2l 3
2 3 27 1 "Not handling restraint 27, item 1, resonance(s) '1.2.H3' (nmrStar names) not linked" rr_1r2l 3
3 3 28 1 "Not handling restraint 28, item 1, resonance(s) '1.11.H3' (nmrStar names) not linked" rr_1r2l 3
4 3 29 1 "Not handling restraint 29, item 1, resonance(s) '1.12.H3' (nmrStar names) not linked" rr_1r2l 3
stop_
save_
save_Discover_distance_constraints_5
_Gen_dist_constraint_list.Sf_category general_distance_constraints
_Gen_dist_constraint_list.Sf_framecode Discover_distance_constraints_5
_Gen_dist_constraint_list.Entry_ID rr_1r2l
_Gen_dist_constraint_list.ID 4
_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 5
loop_
_Gen_dist_constraint_software.Software_ID
_Gen_dist_constraint_software.Software_label
_Gen_dist_constraint_software.Method_ID
_Gen_dist_constraint_software.Method_label
_Gen_dist_constraint_software.Entry_ID
_Gen_dist_constraint_software.Gen_dist_constraint_list_ID
. . . . rr_1r2l 4
stop_
loop_
_Gen_dist_constraint.ID
_Gen_dist_constraint.Member_ID
_Gen_dist_constraint.Member_logic_code
_Gen_dist_constraint.Assembly_atom_ID_1
_Gen_dist_constraint.Entity_assembly_ID_1
_Gen_dist_constraint.Entity_ID_1
_Gen_dist_constraint.Comp_index_ID_1
_Gen_dist_constraint.Seq_ID_1
_Gen_dist_constraint.Comp_ID_1
_Gen_dist_constraint.Atom_ID_1
_Gen_dist_constraint.Atom_type_1
_Gen_dist_constraint.Atom_isotope_number_1
_Gen_dist_constraint.Resonance_ID_1
_Gen_dist_constraint.Assembly_atom_ID_2
_Gen_dist_constraint.Entity_assembly_ID_2
_Gen_dist_constraint.Entity_ID_2
_Gen_dist_constraint.Comp_index_ID_2
_Gen_dist_constraint.Seq_ID_2
_Gen_dist_constraint.Comp_ID_2
_Gen_dist_constraint.Atom_ID_2
_Gen_dist_constraint.Atom_type_2
_Gen_dist_constraint.Atom_isotope_number_2
_Gen_dist_constraint.Resonance_ID_2
_Gen_dist_constraint.Intensity_val
_Gen_dist_constraint.Intensity_lower_val_err
_Gen_dist_constraint.Intensity_upper_val_err
_Gen_dist_constraint.Distance_val
_Gen_dist_constraint.Distance_lower_bound_val
_Gen_dist_constraint.Distance_upper_bound_val
_Gen_dist_constraint.Contribution_fractional_val
_Gen_dist_constraint.Spectral_peak_ID
_Gen_dist_constraint.Spectral_peak_list_ID
_Gen_dist_constraint.PDB_record_ID_1
_Gen_dist_constraint.PDB_model_num_1
_Gen_dist_constraint.PDB_strand_ID_1
_Gen_dist_constraint.PDB_ins_code_1
_Gen_dist_constraint.PDB_residue_no_1
_Gen_dist_constraint.PDB_residue_name_1
_Gen_dist_constraint.PDB_atom_name_1
_Gen_dist_constraint.PDB_record_ID_2
_Gen_dist_constraint.PDB_model_num_2
_Gen_dist_constraint.PDB_strand_ID_2
_Gen_dist_constraint.PDB_ins_code_2
_Gen_dist_constraint.PDB_residue_no_2
_Gen_dist_constraint.PDB_residue_name_2
_Gen_dist_constraint.PDB_atom_name_2
_Gen_dist_constraint.Auth_entity_assembly_ID_1
_Gen_dist_constraint.Auth_asym_ID_1
_Gen_dist_constraint.Auth_chain_ID_1
_Gen_dist_constraint.Auth_seq_ID_1
_Gen_dist_constraint.Auth_comp_ID_1
_Gen_dist_constraint.Auth_atom_ID_1
_Gen_dist_constraint.Auth_alt_ID_1
_Gen_dist_constraint.Auth_atom_name_1
_Gen_dist_constraint.Auth_entity_assembly_ID_2
_Gen_dist_constraint.Auth_asym_ID_2
_Gen_dist_constraint.Auth_chain_ID_2
_Gen_dist_constraint.Auth_seq_ID_2
_Gen_dist_constraint.Auth_comp_ID_2
_Gen_dist_constraint.Auth_atom_ID_2
_Gen_dist_constraint.Auth_alt_ID_2
_Gen_dist_constraint.Auth_atom_name_2
_Gen_dist_constraint.Entry_ID
_Gen_dist_constraint.Gen_dist_constraint_list_ID
1 1 . . 1 1 1 1 DNR O2 O . . . 2 2 1 1 DC N4 N . . . . . . 2.93 3.1 . . . . . A . 1 DNR O2 . . B . 1 DC N4 . 1 . 1 C O2 . . . B . 1 C N4 . . rr_1r2l 4
2 1 . . 2 2 1 1 DC O2 O . . . 1 1 1 1 DNR N4 N . . . . . . 2.93 3.1 . . . . . A . 1 DNR N4 . . B . 1 DC O2 . 1 . 1 C N4 . . . B . 1 C O2 . . rr_1r2l 4
3 1 . . 1 1 2 2 DNR O2 O . . . 2 2 2 2 DC N4 N . . . . . . 2.93 3.1 . . . . . A . 2 DNR O2 . . B . 2 DC N4 . 1 . 2 C O2 . . . B . 2 C N4 . . rr_1r2l 4
4 1 . . 2 2 2 2 DC O2 O . . . 1 1 2 2 DNR N4 N . . . . . . 2.93 3.1 . . . . . A . 2 DNR N4 . . B . 2 DC O2 . 1 . 2 C N4 . . . B . 2 C O2 . . rr_1r2l 4
5 1 . . 2 2 3 3 DT O2 O . . . 1 1 3 3 DA N6 N . . . . . . 2.93 3.1 . . . . . A . 3 DA N6 . . B . 3 DT O2 . 1 . 3 A N6 . . . B . 3 T O2 . . rr_1r2l 4
6 1 . . 1 1 3 3 DA N1 N . . . 2 2 3 3 DT N3 N . . . . . . 2.93 3.1 . . . . . A . 3 DA N1 . . B . 3 DT N3 . 1 . 3 A N1 . . . B . 3 T N3 . . rr_1r2l 4
7 1 . . 1 1 4 4 DT O2 O . . . 2 2 4 4 DA N6 N . . . . . . 2.93 3.1 . . . . . A . 4 DT O2 . . B . 4 DA N6 . 1 . 4 T O2 . . . B . 4 A N6 . . rr_1r2l 4
8 1 . . 2 2 4 4 DA N1 N . . . 1 1 4 4 DT N3 N . . . . . . 2.93 3.1 . . . . . A . 4 DT N3 . . B . 4 DA N1 . 1 . 4 T N3 . . . B . 4 A N1 . . rr_1r2l 4
9 1 . . 2 2 5 5 DT O2 O . . . 1 1 5 5 DA N6 N . . . . . . 2.93 3.1 . . . . . A . 5 DA N6 . . B . 5 DT O2 . 1 . 5 A N6 . . . B . 5 T O2 . . rr_1r2l 4
10 1 . . 1 1 5 5 DA N1 N . . . 2 2 5 5 DT N3 N . . . . . . 2.93 3.1 . . . . . A . 5 DA N1 . . B . 5 DT N3 . 1 . 5 A N1 . . . B . 5 T N3 . . rr_1r2l 4
11 1 . . 2 2 6 6 DG O6 O . . . 1 1 6 6 DA N6 N . . . . . . 2.93 3.1 . . . . . A . 6 DA N6 . . B . 6 DG O6 . 1 . 6 A N6 . . . B . 6 G O6 . . rr_1r2l 4
12 1 . . 1 1 6 6 DA N1 N . . . 2 2 6 6 DG N1 N . . . . . . 2.93 3.1 . . . . . A . 6 DA N1 . . B . 6 DG N1 . 1 . 6 A N1 . . . B . 6 G N1 . . rr_1r2l 4
13 1 . . 1 1 7 7 DT O2 O . . . 2 2 7 7 DA N6 N . . . . . . 2.93 3.1 . . . . . A . 7 DT O2 . . B . 7 DA N6 . 1 . 7 T O2 . . . B . 7 A N6 . . rr_1r2l 4
14 1 . . 2 2 7 7 DA N1 N . . . 1 1 7 7 DT N3 N . . . . . . 2.93 3.1 . . . . . A . 7 DT N3 . . B . 7 DA N1 . 1 . 7 T N3 . . . B . 7 A N1 . . rr_1r2l 4
15 1 . . 1 1 8 8 DT O2 O . . . 2 2 8 8 DA N6 N . . . . . . 2.93 3.1 . . . . . A . 8 DT O2 . . B . 8 DA N6 . 1 . 8 T O2 . . . B . 8 A N6 . . rr_1r2l 4
16 1 . . 2 2 8 8 DA N1 N . . . 1 1 8 8 DT N3 N . . . . . . 2.93 3.1 . . . . . A . 8 DT N3 . . B . 8 DA N1 . 1 . 8 T N3 . . . B . 8 A N1 . . rr_1r2l 4
17 1 . . 1 1 9 9 DT O2 O . . . 2 2 9 9 DA N6 N . . . . . . 2.93 3.1 . . . . . A . 9 DT O2 . . B . 9 DA N6 . 1 . 9 T O2 . . . B . 9 A N6 . . rr_1r2l 4
18 1 . . 2 2 9 9 DA N1 N . . . 1 1 9 9 DT N3 N . . . . . . 2.93 3.1 . . . . . A . 9 DT N3 . . B . 9 DA N1 . 1 . 9 T N3 . . . B . 9 A N1 . . rr_1r2l 4
19 1 . . 2 2 10 10 DT O2 O . . . 1 1 10 10 DA N6 N . . . . . . 2.93 3.1 . . . . . A . 10 DA N6 . . B . 10 DT O2 . 1 . 10 A N6 . . . B . 10 T O2 . . rr_1r2l 4
20 1 . . 1 1 10 10 DA N1 N . . . 2 2 10 10 DT N3 N . . . . . . 2.93 3.1 . . . . . A . 10 DA N1 . . B . 10 DT N3 . 1 . 10 A N1 . . . B . 10 T N3 . . rr_1r2l 4
21 1 . . 2 2 11 11 DC O2 O . . . 1 1 11 11 DNR N4 N . . . . . . 2.93 3.1 . . . . . B . 11 DC O2 . . A . 11 DNR N4 . B . 11 C O2 . . . 1 . 11 C N4 . . rr_1r2l 4
22 1 . . 1 1 11 11 DNR O2 O . . . 2 2 11 11 DC N4 N . . . . . . 2.93 3.1 . . . . . B . 11 DC N4 . . A . 11 DNR O2 . B . 11 C N4 . . . 1 . 11 C O2 . . rr_1r2l 4
23 1 . . 2 2 12 12 DC O2 O . . . 1 1 12 12 DNR N4 N . . . . . . 2.93 3.1 . . . . . B . 12 DC O2 . . A . 12 DNR N4 . B . 12 C O2 . . . 1 . 12 C N4 . . rr_1r2l 4
24 1 . . 1 1 12 12 DNR O2 O . . . 2 2 12 12 DC N4 N . . . . . . 2.73 3.1 . . . . . B . 12 DC N4 . . A . 12 DNR O2 . B . 12 C N4 . . . 1 . 12 C O2 . . rr_1r2l 4
25 1 . . 2 2 1 1 DC N3 N . . . 1 1 1 1 DNR N3 N . . . . . . 2.93 3.1 . . . . . B . 1 DC N3 . . A . 1 DNR N3 . B . 1 C N3 . . . 1 . 1 C N3 . . rr_1r2l 4
26 1 . . 2 2 2 2 DC N3 N . . . 1 1 2 2 DNR N3 N . . . . . . 2.93 3.1 . . . . . B . 2 DC N3 . . A . 2 DNR N3 . B . 2 C N3 . . . 1 . 2 C N3 . . rr_1r2l 4
27 1 . . 2 2 11 11 DC N3 N . . . 1 1 11 11 DNR N3 N . . . . . . 2.93 3.1 . . . . . B . 11 DC N3 . . A . 11 DNR N3 . B . 11 C N3 . . . 1 . 11 C N3 . . rr_1r2l 4
28 1 . . 2 2 12 12 DC N3 N . . . 1 1 12 12 DNR N3 N . . . . . . 2.93 3.1 . . . . . B . 12 DC N3 . . A . 12 DNR N3 . B . 12 C N3 . . . 1 . 12 C N3 . . rr_1r2l 4
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 "Heavy Atom hydrogen bonding" 1 1 2 28 rr_1r2l 4
stop_
save_
save_Discover_distance_constraints_2_1
_Distance_constraint_list.Sf_category distance_constraints
_Distance_constraint_list.Sf_framecode Discover_distance_constraints_2_1
_Distance_constraint_list.Entry_ID rr_1r2l
_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_1r2l 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_1r2l 1
2 1 . . . rr_1r2l 1
3 1 . . . rr_1r2l 1
4 1 . . . rr_1r2l 1
5 1 . . . rr_1r2l 1
6 1 . . . rr_1r2l 1
7 1 . . . rr_1r2l 1
8 1 . . . rr_1r2l 1
9 1 . . . rr_1r2l 1
10 1 . . . rr_1r2l 1
11 1 . . . rr_1r2l 1
12 1 . . . rr_1r2l 1
13 1 . . . rr_1r2l 1
14 1 . . . rr_1r2l 1
15 1 . . . rr_1r2l 1
16 1 . . . rr_1r2l 1
17 1 . . . rr_1r2l 1
18 1 . . . rr_1r2l 1
19 1 . . . rr_1r2l 1
20 1 . . . rr_1r2l 1
21 1 . . . rr_1r2l 1
22 1 . . . rr_1r2l 1
23 1 . . . rr_1r2l 1
24 1 . . . rr_1r2l 1
25 1 . . . rr_1r2l 1
26 1 . . . rr_1r2l 1
27 1 . . . rr_1r2l 1
28 1 . . . rr_1r2l 1
29 1 . . . rr_1r2l 1
30 1 . . . rr_1r2l 1
31 1 . . . rr_1r2l 1
32 1 . . . rr_1r2l 1
33 1 . . . rr_1r2l 1
34 1 . . . rr_1r2l 1
35 1 . . . rr_1r2l 1
36 1 . . . rr_1r2l 1
37 1 . . . rr_1r2l 1
38 1 . . . rr_1r2l 1
39 1 . . . rr_1r2l 1
40 1 . . . rr_1r2l 1
41 1 . . . rr_1r2l 1
42 1 . . . rr_1r2l 1
43 1 . . . rr_1r2l 1
44 1 . . . rr_1r2l 1
45 1 . . . rr_1r2l 1
46 1 . . . rr_1r2l 1
47 1 . . . rr_1r2l 1
48 1 . . . rr_1r2l 1
49 1 . . . rr_1r2l 1
50 1 . . . rr_1r2l 1
51 1 . . . rr_1r2l 1
52 1 . . . rr_1r2l 1
53 1 . . . rr_1r2l 1
54 1 . . . rr_1r2l 1
55 1 . . . rr_1r2l 1
56 1 . . . rr_1r2l 1
57 1 . . . rr_1r2l 1
58 1 . . . rr_1r2l 1
59 1 . . . rr_1r2l 1
60 1 . . . rr_1r2l 1
61 1 . . . rr_1r2l 1
62 1 . . . rr_1r2l 1
63 1 . . . rr_1r2l 1
64 1 . . . rr_1r2l 1
65 1 . . . rr_1r2l 1
66 1 . . . rr_1r2l 1
67 1 . . . rr_1r2l 1
68 1 . . . rr_1r2l 1
69 1 . . . rr_1r2l 1
70 1 . . . rr_1r2l 1
71 1 . . . rr_1r2l 1
72 1 . . . rr_1r2l 1
73 1 . . . rr_1r2l 1
74 1 . . . rr_1r2l 1
75 1 . . . rr_1r2l 1
76 1 . . . rr_1r2l 1
77 1 . . . rr_1r2l 1
78 1 . . . rr_1r2l 1
79 1 . . . rr_1r2l 1
80 1 . . . rr_1r2l 1
81 1 . . . rr_1r2l 1
82 1 . . . rr_1r2l 1
83 1 . . . rr_1r2l 1
84 1 . . . rr_1r2l 1
85 1 . . . rr_1r2l 1
86 1 . . . rr_1r2l 1
87 1 . . . rr_1r2l 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 . 1 1 4 4 DT H2' H . . 1 . 4 T H2'1 rr_1r2l 1
1 1 . 2 . 1 1 4 4 DT H6 H . . 1 . 4 T H6 rr_1r2l 1
2 1 . 1 . 1 1 7 7 DT H2'' H . . 1 . 7 T H2'2 rr_1r2l 1
2 1 . 2 . 1 1 7 7 DT H6 H . . 1 . 7 T H6 rr_1r2l 1
3 1 . 1 . 1 1 8 8 DT H2'' H . . 1 . 8 T H2'2 rr_1r2l 1
3 1 . 2 . 1 1 8 8 DT H6 H . . 1 . 8 T H6 rr_1r2l 1
4 1 . 1 . 2 2 1 1 DC H2'' H . . B . 1 C H2'2 rr_1r2l 1
4 1 . 2 . 2 2 1 1 DC H6 H . . B . 1 C H6 rr_1r2l 1
5 1 . 1 . 2 2 2 2 DC H2'' H . . B . 2 C H2'2 rr_1r2l 1
5 1 . 2 . 2 2 2 2 DC H6 H . . B . 2 C H6 rr_1r2l 1
6 1 . 1 . 1 1 9 9 DT H2' H . . 1 . 9 T H2'1 rr_1r2l 1
6 1 . 2 . 1 1 9 9 DT H6 H . . 1 . 9 T H6 rr_1r2l 1
7 1 . 1 . 1 1 8 8 DT H2' H . . 1 . 8 T H2'1 rr_1r2l 1
7 1 . 2 . 1 1 8 8 DT H6 H . . 1 . 8 T H6 rr_1r2l 1
8 1 . 1 . 1 1 7 7 DT H2' H . . 1 . 7 T H2'1 rr_1r2l 1
8 1 . 2 . 1 1 7 7 DT H6 H . . 1 . 7 T H6 rr_1r2l 1
9 1 . 1 . 2 2 10 10 DT H2' H . . B . 10 T H2'1 rr_1r2l 1
9 1 . 2 . 2 2 10 10 DT H6 H . . B . 10 T H6 rr_1r2l 1
10 1 . 1 . 2 2 5 5 DT H2' H . . B . 5 T H2'1 rr_1r2l 1
10 1 . 2 . 2 2 5 5 DT H6 H . . B . 5 T H6 rr_1r2l 1
11 1 . 1 . 2 2 10 10 DT H2'' H . . B . 10 T H2'2 rr_1r2l 1
11 1 . 2 . 2 2 10 10 DT H6 H . . B . 10 T H6 rr_1r2l 1
12 1 . 1 . 2 2 6 6 DG H2' H . . B . 6 G H2'1 rr_1r2l 1
12 1 . 2 . 2 2 6 6 DG H8 H . . B . 6 G H8 rr_1r2l 1
13 1 . 1 . 2 2 7 7 DA H2'' H . . B . 7 A H2'2 rr_1r2l 1
13 1 . 2 . 2 2 7 7 DA H8 H . . B . 7 A H8 rr_1r2l 1
14 1 . 1 . 1 1 5 5 DA H2' H . . 1 . 5 A H2'1 rr_1r2l 1
14 1 . 2 . 1 1 5 5 DA H8 H . . 1 . 5 A H8 rr_1r2l 1
15 1 . 1 . 2 2 8 8 DA H2' H . . B . 8 A H2'1 rr_1r2l 1
15 1 . 2 . 2 2 8 8 DA H8 H . . B . 8 A H8 rr_1r2l 1
16 1 . 1 . 2 2 9 9 DA H2'' H . . B . 9 A H2'2 rr_1r2l 1
16 1 . 2 . 2 2 9 9 DA H8 H . . B . 9 A H8 rr_1r2l 1
17 1 . 1 . 2 2 8 8 DA H2'' H . . B . 8 A H2'2 rr_1r2l 1
17 1 . 2 . 2 2 8 8 DA H8 H . . B . 8 A H8 rr_1r2l 1
18 1 . 1 . 1 1 6 6 DA H2'' H . . 1 . 6 A H2'2 rr_1r2l 1
18 1 . 2 . 1 1 6 6 DA H8 H . . 1 . 6 A H8 rr_1r2l 1
19 1 . 1 . 1 1 5 5 DA H2'' H . . 1 . 5 A H2'2 rr_1r2l 1
19 1 . 2 . 1 1 5 5 DA H8 H . . 1 . 5 A H8 rr_1r2l 1
20 1 . 1 . 2 2 1 1 DC H2' H . . B . 1 C H2'1 rr_1r2l 1
20 1 . 2 . 2 2 1 1 DC H6 H . . B . 1 C H6 rr_1r2l 1
21 1 . 1 . 1 1 8 8 DT H2' H . . 1 . 8 T H2'1 rr_1r2l 1
21 1 . 2 . 1 1 9 9 DT H6 H . . 1 . 9 T H6 rr_1r2l 1
22 1 . 1 . 2 2 9 9 DA H2'' H . . B . 9 A H2'2 rr_1r2l 1
22 1 . 2 . 2 2 10 10 DT H6 H . . B . 10 T H6 rr_1r2l 1
23 1 . 1 . 2 2 9 9 DA H2' H . . B . 9 A H2'1 rr_1r2l 1
23 1 . 2 . 2 2 10 10 DT H6 H . . B . 10 T H6 rr_1r2l 1
24 1 . 1 . 2 2 4 4 DA H2' H . . B . 4 A H2'1 rr_1r2l 1
24 1 . 2 . 2 2 5 5 DT H6 H . . B . 5 T H6 rr_1r2l 1
25 1 . 1 . 2 2 6 6 DG H2' H . . B . 6 G H2'1 rr_1r2l 1
25 1 . 2 . 2 2 7 7 DA H8 H . . B . 7 A H8 rr_1r2l 1
26 1 . 1 . 1 1 4 4 DT H2' H . . 1 . 4 T H2'1 rr_1r2l 1
26 1 . 2 . 1 1 5 5 DA H8 H . . 1 . 5 A H8 rr_1r2l 1
27 1 . 1 . 2 2 3 3 DT H2' H . . B . 3 T H2'1 rr_1r2l 1
27 1 . 2 . 2 2 4 4 DA H8 H . . B . 4 A H8 rr_1r2l 1
28 1 . 1 . 1 1 9 9 DT H2' H . . 1 . 9 T H2'1 rr_1r2l 1
28 1 . 2 . 1 1 10 10 DA H8 H . . 1 . 10 A H8 rr_1r2l 1
29 1 . 1 . 2 2 7 7 DA H2'' H . . B . 7 A H2'2 rr_1r2l 1
29 1 . 2 . 2 2 8 8 DA H8 H . . B . 8 A H8 rr_1r2l 1
30 1 . 1 . 2 2 7 7 DA H2' H . . B . 7 A H2'1 rr_1r2l 1
30 1 . 2 . 2 2 8 8 DA H8 H . . B . 8 A H8 rr_1r2l 1
31 1 . 1 . 2 2 6 6 DG H1' H . . B . 6 G H1' rr_1r2l 1
31 1 . 2 . 2 2 7 7 DA H8 H . . B . 7 A H8 rr_1r2l 1
32 1 . 1 . 1 1 4 4 DT H1' H . . 1 . 4 T H1' rr_1r2l 1
32 1 . 2 . 1 1 4 4 DT H6 H . . 1 . 4 T H6 rr_1r2l 1
33 1 . 1 . 2 2 5 5 DT H1' H . . B . 5 T H1' rr_1r2l 1
33 1 . 2 . 2 2 5 5 DT H6 H . . B . 5 T H6 rr_1r2l 1
34 1 . 1 . 2 2 3 3 DT H1' H . . B . 3 T H1' rr_1r2l 1
34 1 . 2 . 2 2 3 3 DT H6 H . . B . 3 T H6 rr_1r2l 1
35 1 . 1 . 1 1 9 9 DT H1' H . . 1 . 9 T H1' rr_1r2l 1
35 1 . 2 . 1 1 9 9 DT H6 H . . 1 . 9 T H6 rr_1r2l 1
36 1 . 1 . 1 1 7 7 DT H1' H . . 1 . 7 T H1' rr_1r2l 1
36 1 . 2 . 1 1 7 7 DT H6 H . . 1 . 7 T H6 rr_1r2l 1
37 1 . 1 . 2 2 10 10 DT H1' H . . B . 10 T H1' rr_1r2l 1
37 1 . 2 . 2 2 10 10 DT H6 H . . B . 10 T H6 rr_1r2l 1
38 1 . 1 . 1 1 8 8 DT H1' H . . 1 . 8 T H1' rr_1r2l 1
38 1 . 2 . 1 1 8 8 DT H6 H . . 1 . 8 T H6 rr_1r2l 1
39 1 . 1 . 2 2 8 8 DA H1' H . . B . 8 A H1' rr_1r2l 1
39 1 . 2 . 2 2 8 8 DA H8 H . . B . 8 A H8 rr_1r2l 1
40 1 . 1 . 2 2 7 7 DA H1' H . . B . 7 A H1' rr_1r2l 1
40 1 . 2 . 2 2 7 7 DA H8 H . . B . 7 A H8 rr_1r2l 1
41 1 . 1 . 2 2 7 7 DA H1' H . . B . 7 A H1' rr_1r2l 1
41 1 . 2 . 2 2 8 8 DA H8 H . . B . 8 A H8 rr_1r2l 1
42 1 . 1 . 2 2 8 8 DA H1' H . . B . 8 A H1' rr_1r2l 1
42 1 . 2 . 2 2 9 9 DA H8 H . . B . 9 A H8 rr_1r2l 1
43 1 . 1 . 1 1 3 3 DA H1' H . . 1 . 3 A H1' rr_1r2l 1
43 1 . 2 . 1 1 3 3 DA H8 H . . 1 . 3 A H8 rr_1r2l 1
44 1 . 1 . 2 2 4 4 DA H1' H . . B . 4 A H1' rr_1r2l 1
44 1 . 2 . 2 2 4 4 DA H8 H . . B . 4 A H8 rr_1r2l 1
45 1 . 1 . 1 1 10 10 DA H1' H . . 1 . 10 A H1' rr_1r2l 1
45 1 . 2 . 1 1 10 10 DA H8 H . . 1 . 10 A H8 rr_1r2l 1
46 1 . 1 . 1 1 3 3 DA H1' H . . 1 . 3 A H1' rr_1r2l 1
46 1 . 2 . 1 1 4 4 DT H6 H . . 1 . 4 T H6 rr_1r2l 1
47 1 . 1 . 2 2 4 4 DA H1' H . . B . 4 A H1' rr_1r2l 1
47 1 . 2 . 2 2 5 5 DT H6 H . . B . 5 T H6 rr_1r2l 1
48 1 . 1 . 1 1 6 6 DA H1' H . . 1 . 6 A H1' rr_1r2l 1
48 1 . 2 . 1 1 7 7 DT H6 H . . 1 . 7 T H6 rr_1r2l 1
49 1 . 1 . 2 2 9 9 DA H1' H . . B . 9 A H1' rr_1r2l 1
49 1 . 2 . 2 2 10 10 DT H6 H . . B . 10 T H6 rr_1r2l 1
50 1 . 1 . 2 2 3 3 DT H1' H . . B . 3 T H1' rr_1r2l 1
50 1 . 2 . 2 2 4 4 DA H8 H . . B . 4 A H8 rr_1r2l 1
51 1 . 1 . 1 1 9 9 DT H1' H . . 1 . 9 T H1' rr_1r2l 1
51 1 . 2 . 1 1 10 10 DA H8 H . . 1 . 10 A H8 rr_1r2l 1
52 1 . 1 . 1 1 5 5 DA H1' H . . 1 . 5 A H1' rr_1r2l 1
52 1 . 2 . 1 1 6 6 DA H8 H . . 1 . 6 A H8 rr_1r2l 1
53 1 . 1 . 2 2 5 5 DT H1' H . . B . 5 T H1' rr_1r2l 1
53 1 . 2 . 2 2 6 6 DG H8 H . . B . 6 G H8 rr_1r2l 1
54 1 . 1 . 1 1 7 7 DT H1' H . . 1 . 7 T H1' rr_1r2l 1
54 1 . 2 . 1 1 8 8 DT H6 H . . 1 . 8 T H6 rr_1r2l 1
55 1 . 1 . 1 1 4 4 DT H2'' H . . 1 . 4 T H2'2 rr_1r2l 1
55 1 . 2 . 1 1 4 4 DT H1' H . . 1 . 4 T H1' rr_1r2l 1
56 1 . 1 . 2 2 3 3 DT H2' H . . B . 3 T H2'1 rr_1r2l 1
56 1 . 2 . 2 2 3 3 DT H1' H . . B . 3 T H1' rr_1r2l 1
57 1 . 1 . 1 1 9 9 DT H2' H . . 1 . 9 T H2'1 rr_1r2l 1
57 1 . 2 . 1 1 9 9 DT H1' H . . 1 . 9 T H1' rr_1r2l 1
58 1 . 1 . 1 1 4 4 DT H2' H . . 1 . 4 T H2'1 rr_1r2l 1
58 1 . 2 . 1 1 4 4 DT H1' H . . 1 . 4 T H1' rr_1r2l 1
59 1 . 1 . 2 2 7 7 DA H2' H . . B . 7 A H2'1 rr_1r2l 1
59 1 . 2 . 2 2 7 7 DA H1' H . . B . 7 A H1' rr_1r2l 1
60 1 . 1 . 2 2 9 9 DA H2'' H . . B . 9 A H2'2 rr_1r2l 1
60 1 . 2 . 2 2 9 9 DA H1' H . . B . 9 A H1' rr_1r2l 1
61 1 . 1 . 1 1 5 5 DA H2' H . . 1 . 5 A H2'1 rr_1r2l 1
61 1 . 2 . 1 1 5 5 DA H1' H . . 1 . 5 A H1' rr_1r2l 1
62 1 . 1 . 2 2 8 8 DA H2'' H . . B . 8 A H2'2 rr_1r2l 1
62 1 . 2 . 2 2 8 8 DA H1' H . . B . 8 A H1' rr_1r2l 1
63 1 . 1 . 2 2 9 9 DA H2' H . . B . 9 A H2'1 rr_1r2l 1
63 1 . 2 . 2 2 9 9 DA H1' H . . B . 9 A H1' rr_1r2l 1
64 1 . 1 . 2 2 8 8 DA H2' H . . B . 8 A H2'1 rr_1r2l 1
64 1 . 2 . 2 2 8 8 DA H1' H . . B . 8 A H1' rr_1r2l 1
65 1 . 1 . 1 1 6 6 DA H2' H . . 1 . 6 A H2'1 rr_1r2l 1
65 1 . 2 . 1 1 6 6 DA H1' H . . 1 . 6 A H1' rr_1r2l 1
66 1 . 1 . 2 2 7 7 DA H2'' H . . B . 7 A H2'2 rr_1r2l 1
66 1 . 2 . 2 2 7 7 DA H1' H . . B . 7 A H1' rr_1r2l 1
67 1 . 1 . 1 1 5 5 DA H2'' H . . 1 . 5 A H2'2 rr_1r2l 1
67 1 . 2 . 1 1 5 5 DA H1' H . . 1 . 5 A H1' rr_1r2l 1
68 1 . 1 . 2 2 3 3 DT H2'' H . . B . 3 T H2'2 rr_1r2l 1
68 1 . 2 . 2 2 3 3 DT H1' H . . B . 3 T H1' rr_1r2l 1
69 1 . 1 . 2 2 5 5 DT H2'' H . . B . 5 T H2'2 rr_1r2l 1
69 1 . 2 . 2 2 5 5 DT H1' H . . B . 5 T H1' rr_1r2l 1
70 1 . 1 . 1 1 9 9 DT H2'' H . . 1 . 9 T H2'2 rr_1r2l 1
70 1 . 2 . 1 1 9 9 DT H1' H . . 1 . 9 T H1' rr_1r2l 1
71 1 . 1 . 1 1 7 7 DT H2'' H . . 1 . 7 T H2'2 rr_1r2l 1
71 1 . 2 . 1 1 7 7 DT H1' H . . 1 . 7 T H1' rr_1r2l 1
72 1 . 1 . 2 2 3 3 DT H4' H . . B . 3 T H4' rr_1r2l 1
72 1 . 2 . 2 2 3 3 DT H1' H . . B . 3 T H1' rr_1r2l 1
73 1 . 1 . 1 1 4 4 DT H3' H . . 1 . 4 T H3' rr_1r2l 1
73 1 . 2 . 1 1 4 4 DT H1' H . . 1 . 4 T H1' rr_1r2l 1
74 1 . 1 . 1 1 5 5 DA H4' H . . 1 . 5 A H4' rr_1r2l 1
74 1 . 2 . 1 1 5 5 DA H1' H . . 1 . 5 A H1' rr_1r2l 1
75 1 . 1 . 2 2 8 8 DA H4' H . . B . 8 A H4' rr_1r2l 1
75 1 . 2 . 2 2 8 8 DA H1' H . . B . 8 A H1' rr_1r2l 1
76 1 . 1 . 2 2 6 6 DG H3' H . . B . 6 G H3' rr_1r2l 1
76 1 . 2 . 2 2 6 6 DG H1' H . . B . 6 G H1' rr_1r2l 1
77 1 . 1 . 1 1 9 9 DT H4' H . . 1 . 9 T H4' rr_1r2l 1
77 1 . 2 . 1 1 9 9 DT H1' H . . 1 . 9 T H1' rr_1r2l 1
78 1 . 1 . 2 2 3 3 DT H3' H . . B . 3 T H3' rr_1r2l 1
78 1 . 2 . 2 2 3 3 DT H1' H . . B . 3 T H1' rr_1r2l 1
79 1 . 1 . 1 1 9 9 DT H3' H . . 1 . 9 T H3' rr_1r2l 1
79 1 . 2 . 1 1 9 9 DT H1' H . . 1 . 9 T H1' rr_1r2l 1
80 1 . 1 . 1 1 10 10 DA H4' H . . 1 . 10 A H4' rr_1r2l 1
80 1 . 2 . 1 1 10 10 DA H1' H . . 1 . 10 A H1' rr_1r2l 1
81 1 . 1 . 2 2 8 8 DA H3' H . . B . 8 A H3' rr_1r2l 1
81 1 . 2 . 2 2 8 8 DA H1' H . . B . 8 A H1' rr_1r2l 1
82 1 . 1 . 1 1 4 4 DT H4' H . . 1 . 4 T H4' rr_1r2l 1
82 1 . 2 . 1 1 4 4 DT H1' H . . 1 . 4 T H1' rr_1r2l 1
83 1 . 1 . 1 1 5 5 DA H3' H . . 1 . 5 A H3' rr_1r2l 1
83 1 . 2 . 1 1 5 5 DA H1' H . . 1 . 5 A H1' rr_1r2l 1
84 1 . 1 . 1 1 10 10 DA H3' H . . 1 . 10 A H3' rr_1r2l 1
84 1 . 2 . 1 1 10 10 DA H1' H . . 1 . 10 A H1' rr_1r2l 1
85 1 . 1 . 2 2 7 7 DA H3' H . . B . 7 A H3' rr_1r2l 1
85 1 . 2 . 2 2 7 7 DA H1' H . . B . 7 A H1' rr_1r2l 1
86 1 . 1 . 2 2 6 6 DG H4' H . . B . 6 G H4' rr_1r2l 1
86 1 . 2 . 2 2 6 6 DG H1' H . . B . 6 G H1' rr_1r2l 1
87 1 . 1 . 2 2 7 7 DA H4' H . . B . 7 A H4' rr_1r2l 1
87 1 . 2 . 2 2 7 7 DA H1' H . . B . 7 A H1' rr_1r2l 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 . . . . . . . 2.78 3.80 rr_1r2l 1
2 1 . . . . . . . 2.10 2.69 rr_1r2l 1
3 1 . . . . . . . 2.21 2.82 rr_1r2l 1
4 1 . . . . . . . 2.69 3.24 rr_1r2l 1
5 1 . . . . . . . 2.55 3.25 rr_1r2l 1
6 1 . . . . . . . 2.55 4.00 rr_1r2l 1
7 1 . . . . . . . 3.10 3.60 rr_1r2l 1
8 1 . . . . . . . 2.95 3.75 rr_1r2l 1
9 1 . . . . . . . 2.75 3.50 rr_1r2l 1
10 1 . . . . . . . 2.69 3.43 rr_1r2l 1
11 1 . . . . . . . 2.11 2.69 rr_1r2l 1
12 1 . . . . . . . 3.08 3.95 rr_1r2l 1
13 1 . . . . . . . 2.34 3.00 rr_1r2l 1
14 1 . . . . . . . 2.90 3.70 rr_1r2l 1
15 1 . . . . . . . 2.82 3.60 rr_1r2l 1
16 1 . . . . . . . 2.85 2.91 rr_1r2l 1
17 1 . . . . . . . 2.35 3.00 rr_1r2l 1
18 1 . . . . . . . 3.00 4.16 rr_1r2l 1
19 1 . . . . . . . 2.33 3.00 rr_1r2l 1
20 1 . . . . . . . 3.67 4.68 rr_1r2l 1
21 1 . . . . . . . 2.83 4.04 rr_1r2l 1
22 1 . . . . . . . 2.98 4.20 rr_1r2l 1
23 1 . . . . . . . 2.75 3.50 rr_1r2l 1
24 1 . . . . . . . 2.48 3.16 rr_1r2l 1
25 1 . . . . . . . 2.40 3.10 rr_1r2l 1
26 1 . . . . . . . 3.30 4.20 rr_1r2l 1
27 1 . . . . . . . 4.00 5.00 rr_1r2l 1
28 1 . . . . . . . 4.15 5.00 rr_1r2l 1
29 1 . . . . . . . 3.40 4.30 rr_1r2l 1
30 1 . . . . . . . 3.85 4.90 rr_1r2l 1
31 1 . . . . . . . 3.10 3.95 rr_1r2l 1
32 1 . . . . . . . 3.00 3.80 rr_1r2l 1
33 1 . . . . . . . 3.10 4.00 rr_1r2l 1
34 1 . . . . . . . 3.00 3.80 rr_1r2l 1
35 1 . . . . . . . 3.10 3.94 rr_1r2l 1
36 1 . . . . . . . 3.05 3.90 rr_1r2l 1
37 1 . . . . . . . 3.20 4.05 rr_1r2l 1
38 1 . . . . . . . 3.10 3.90 rr_1r2l 1
39 1 . . . . . . . 3.10 4.00 rr_1r2l 1
40 1 . . . . . . . 3.35 4.30 rr_1r2l 1
41 1 . . . . . . . 3.85 4.90 rr_1r2l 1
42 1 . . . . . . . 3.30 4.20 rr_1r2l 1
43 1 . . . . . . . 4.00 5.00 rr_1r2l 1
44 1 . . . . . . . 3.60 4.55 rr_1r2l 1
45 1 . . . . . . . 3.60 4.60 rr_1r2l 1
46 1 . . . . . . . 3.90 5.00 rr_1r2l 1
47 1 . . . . . . . 3.50 4.40 rr_1r2l 1
48 1 . . . . . . . 3.70 4.70 rr_1r2l 1
49 1 . . . . . . . 3.35 4.25 rr_1r2l 1
50 1 . . . . . . . 4.20 4.80 rr_1r2l 1
51 1 . . . . . . . 4.20 4.80 rr_1r2l 1
52 1 . . . . . . . 4.20 4.80 rr_1r2l 1
53 1 . . . . . . . 4.20 5.00 rr_1r2l 1
54 1 . . . . . . . 4.20 4.80 rr_1r2l 1
55 1 . . . . . . . 2.35 3.00 rr_1r2l 1
56 1 . . . . . . . 2.05 2.60 rr_1r2l 1
57 1 . . . . . . . 2.35 3.00 rr_1r2l 1
58 1 . . . . . . . 2.65 3.40 rr_1r2l 1
59 1 . . . . . . . 2.25 2.90 rr_1r2l 1
60 1 . . . . . . . 2.60 3.30 rr_1r2l 1
61 1 . . . . . . . 2.25 2.90 rr_1r2l 1
62 1 . . . . . . . 2.60 3.30 rr_1r2l 1
63 1 . . . . . . . 2.20 2.80 rr_1r2l 1
64 1 . . . . . . . 2.20 2.80 rr_1r2l 1
65 1 . . . . . . . 2.15 2.70 rr_1r2l 1
66 1 . . . . . . . 2.65 3.40 rr_1r2l 1
67 1 . . . . . . . 2.65 3.35 rr_1r2l 1
68 1 . . . . . . . 2.95 3.75 rr_1r2l 1
69 1 . . . . . . . 2.65 3.40 rr_1r2l 1
70 1 . . . . . . . 2.85 3.60 rr_1r2l 1
71 1 . . . . . . . 2.70 3.40 rr_1r2l 1
72 1 . . . . . . . 2.15 2.70 rr_1r2l 1
73 1 . . . . . . . 2.60 3.60 rr_1r2l 1
74 1 . . . . . . . 2.20 2.80 rr_1r2l 1
75 1 . . . . . . . 2.27 2.90 rr_1r2l 1
76 1 . . . . . . . 2.65 3.60 rr_1r2l 1
77 1 . . . . . . . 2.45 3.10 rr_1r2l 1
78 1 . . . . . . . 2.75 3.50 rr_1r2l 1
79 1 . . . . . . . 3.00 3.80 rr_1r2l 1
80 1 . . . . . . . 2.90 3.70 rr_1r2l 1
81 1 . . . . . . . 2.50 3.60 rr_1r2l 1
82 1 . . . . . . . 2.90 3.70 rr_1r2l 1
83 1 . . . . . . . 3.25 4.10 rr_1r2l 1
84 1 . . . . . . . 3.35 4.30 rr_1r2l 1
85 1 . . . . . . . 2.85 3.65 rr_1r2l 1
86 1 . . . . . . . 3.20 4.05 rr_1r2l 1
87 1 . . . . . . . 3.05 3.90 rr_1r2l 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
;BIOSYM restraint 1
NOE distances
distance
;
2 1 4 11 rr_1r2l 1
2 "1:G_6B:H2'2 1:G_6B:H8 2.56 3.26 30.0 30.0 1000.0" 18 1 18 49 rr_1r2l 1
3 "1:G_6B:H1' 1:G_6B:H8 3.6 4.6 30.0 30.0 1000.0" 54 1 54 46 rr_1r2l 1
4
;1:G_6B:H2'1 1:G_6B:H8 2.25 2.9 30.0 30.0 1000.0
1:G_6B:H2'2 1:G_6B:H8 2.6 3.35 30.0 30.0 1000.0
;
74 1 75 48 rr_1r2l 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) '1.2.H2'2' (nmrStar names) not linked" rr_1r2l 1
2 2 22 1 "Not handling restraint 22, item 1, resonance(s) 'B.5.H5M1' (nmrStar names) not linked" rr_1r2l 1
3 2 23 1 "Not handling restraint 23, item 1, resonance(s) 'B.10.H5M1' (nmrStar names) not linked" rr_1r2l 1
4 2 24 1 "Not handling restraint 24, item 1, resonance(s) '1.7.H5M1' (nmrStar names) not linked" rr_1r2l 1
5 2 25 1 "Not handling restraint 25, item 1, resonance(s) 'B.5.H5M1' (nmrStar names) not linked" rr_1r2l 1
6 2 26 1 "Not handling restraint 26, item 1, resonance(s) '1.8.H5M1' (nmrStar names) not linked" rr_1r2l 1
7 2 32 1 "Not handling restraint 32, item 1, resonance(s) 'B.5.H5M1' (nmrStar names) not linked" rr_1r2l 1
8 2 33 1 "Not handling restraint 33, item 1, resonance(s) 'B.10.H5M1' (nmrStar names) not linked" rr_1r2l 1
9 2 34 1 "Not handling restraint 34, item 1, resonance(s) '1.7.H5M1' (nmrStar names) not linked" rr_1r2l 1
10 2 64 1 "Not handling restraint 64, item 1, resonance(s) '1.4.H5M1' (nmrStar names) not linked" rr_1r2l 1
stop_
save_
save_Discover_distance_constraints_4_1
_Distance_constraint_list.Sf_category distance_constraints
_Distance_constraint_list.Sf_framecode Discover_distance_constraints_4_1
_Distance_constraint_list.Entry_ID rr_1r2l
_Distance_constraint_list.ID 3
_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 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_1r2l 2
stop_
loop_
_Dist_constraint_tree.Constraint_ID
_Dist_constraint_tree.Node_ID
_Dist_constraint_tree.Down_node_ID
_Dist_constraint_tree.Right_node_ID
_Dist_constraint_tree.Logic_operation
_Dist_constraint_tree.Entry_ID
_Dist_constraint_tree.Distance_constraint_list_ID
1 1 . . . rr_1r2l 2
2 1 . . . rr_1r2l 2
3 1 . . . rr_1r2l 2
4 1 . . . rr_1r2l 2
5 1 . . . rr_1r2l 2
6 1 . . . rr_1r2l 2
7 1 . . . rr_1r2l 2
8 1 . . . rr_1r2l 2
9 1 . . . rr_1r2l 2
10 1 . . . rr_1r2l 2
11 1 . . . rr_1r2l 2
12 1 . . . rr_1r2l 2
13 1 . . . rr_1r2l 2
14 1 . . . rr_1r2l 2
15 1 . . . rr_1r2l 2
stop_
loop_
_Dist_constraint.Tree_node_member_constraint_ID
_Dist_constraint.Tree_node_member_node_ID
_Dist_constraint.Contribution_fractional_val
_Dist_constraint.Constraint_tree_node_member_ID
_Dist_constraint.Assembly_atom_ID
_Dist_constraint.Entity_assembly_ID
_Dist_constraint.Entity_ID
_Dist_constraint.Comp_index_ID
_Dist_constraint.Seq_ID
_Dist_constraint.Comp_ID
_Dist_constraint.Atom_ID
_Dist_constraint.Atom_type
_Dist_constraint.Atom_isotope_number
_Dist_constraint.Resonance_ID
_Dist_constraint.Auth_asym_ID
_Dist_constraint.Auth_entity_assembly_ID
_Dist_constraint.Auth_seq_ID
_Dist_constraint.Auth_comp_ID
_Dist_constraint.Auth_atom_ID
_Dist_constraint.Entry_ID
_Dist_constraint.Distance_constraint_list_ID
1 1 . 1 . 2 2 3 3 DT H3 H . . B . 3 T H3 rr_1r2l 2
1 1 . 2 . 1 1 3 3 DA H2 H . . 1 . 3 A H2 rr_1r2l 2
2 1 . 1 . 2 2 3 3 DT H3 H . . B . 3 T H3 rr_1r2l 2
2 1 . 2 . 2 2 4 4 DA H2 H . . B . 4 A H2 rr_1r2l 2
3 1 . 1 . 1 1 4 4 DT H3 H . . 1 . 4 T H3 rr_1r2l 2
3 1 . 2 . 1 1 5 5 DA H2 H . . 1 . 5 A H2 rr_1r2l 2
4 1 . 1 . 1 1 4 4 DT H3 H . . 1 . 4 T H3 rr_1r2l 2
4 1 . 2 . 1 1 3 3 DA H2 H . . 1 . 3 A H2 rr_1r2l 2
5 1 . 1 . 1 1 4 4 DT H3 H . . 1 . 4 T H3 rr_1r2l 2
5 1 . 2 . 2 2 4 4 DA H2 H . . B . 4 A H2 rr_1r2l 2
6 1 . 1 . 2 2 5 5 DT H3 H . . B . 5 T H3 rr_1r2l 2
6 1 . 2 . 2 2 4 4 DA H2 H . . B . 4 A H2 rr_1r2l 2
7 1 . 1 . 2 2 5 5 DT H3 H . . B . 5 T H3 rr_1r2l 2
7 1 . 2 . 1 1 5 5 DA H2 H . . 1 . 5 A H2 rr_1r2l 2
8 1 . 1 . 2 2 6 6 DG H1 H . . B . 6 G H1 rr_1r2l 2
8 1 . 2 . 1 1 6 6 DA H2 H . . 1 . 6 A H2 rr_1r2l 2
9 1 . 1 . 1 1 7 7 DT H3 H . . 1 . 7 T H3 rr_1r2l 2
9 1 . 2 . 2 2 7 7 DA H2 H . . B . 7 A H2 rr_1r2l 2
10 1 . 1 . 1 1 8 8 DT H3 H . . 1 . 8 T H3 rr_1r2l 2
10 1 . 2 . 2 2 8 8 DA H2 H . . B . 8 A H2 rr_1r2l 2
11 1 . 1 . 1 1 8 8 DT H3 H . . 1 . 8 T H3 rr_1r2l 2
11 1 . 2 . 2 2 7 7 DA H2 H . . B . 7 A H2 rr_1r2l 2
12 1 . 1 . 1 1 9 9 DT H3 H . . 1 . 9 T H3 rr_1r2l 2
12 1 . 2 . 2 2 8 8 DA H2 H . . B . 8 A H2 rr_1r2l 2
13 1 . 1 . 1 1 9 9 DT H3 H . . 1 . 9 T H3 rr_1r2l 2
13 1 . 2 . 2 2 9 9 DA H2 H . . B . 9 A H2 rr_1r2l 2
14 1 . 1 . 1 1 9 9 DT H3 H . . 1 . 9 T H3 rr_1r2l 2
14 1 . 2 . 1 1 10 10 DA H2 H . . 1 . 10 A H2 rr_1r2l 2
15 1 . 1 . 2 2 10 10 DT H3 H . . B . 10 T H3 rr_1r2l 2
15 1 . 2 . 2 2 9 9 DA H2 H . . B . 9 A H2 rr_1r2l 2
stop_
loop_
_Dist_constraint_value.Constraint_ID
_Dist_constraint_value.Tree_node_ID
_Dist_constraint_value.Source_experiment_ID
_Dist_constraint_value.Spectral_peak_ID
_Dist_constraint_value.Spectral_peak_list_ID
_Dist_constraint_value.Intensity_val
_Dist_constraint_value.Intensity_lower_val_err
_Dist_constraint_value.Intensity_upper_val_err
_Dist_constraint_value.Distance_val
_Dist_constraint_value.Distance_lower_bound_val
_Dist_constraint_value.Distance_upper_bound_val
_Dist_constraint_value.Entry_ID
_Dist_constraint_value.Distance_constraint_list_ID
1 1 . . . . . . . 3.3 4.0 rr_1r2l 2
2 1 . . . . . . . 3.4 4.4 rr_1r2l 2
3 1 . . . . . . . 3.4 4.4 rr_1r2l 2
4 1 . . . . . . . 3.4 4.4 rr_1r2l 2
5 1 . . . . . . . 3.3 4.0 rr_1r2l 2
6 1 . . . . . . . 3.4 4.4 rr_1r2l 2
7 1 . . . . . . . 3.3 4.0 rr_1r2l 2
8 1 . . . . . . . 3.3 4.0 rr_1r2l 2
9 1 . . . . . . . 3.3 4.0 rr_1r2l 2
10 1 . . . . . . . 3.3 4.0 rr_1r2l 2
11 1 . . . . . . . 3.4 4.4 rr_1r2l 2
12 1 . . . . . . . 3.4 4.4 rr_1r2l 2
13 1 . . . . . . . 3.3 4.0 rr_1r2l 2
14 1 . . . . . . . 3.4 4.4 rr_1r2l 2
15 1 . . . . . . . 3.4 4.4 rr_1r2l 2
stop_
loop_
_Dist_constraint_comment_org.ID
_Dist_constraint_comment_org.Comment_text
_Dist_constraint_comment_org.Comment_begin_line
_Dist_constraint_comment_org.Comment_begin_column
_Dist_constraint_comment_org.Comment_end_line
_Dist_constraint_comment_org.Comment_end_column
_Dist_constraint_comment_org.Entry_ID
_Dist_constraint_comment_org.Distance_constraint_list_ID
1 "AH2-TNH3 constraint" 1 1 1 20 rr_1r2l 2
2 "1:T_10B:H3 1:A_10:H2 3.3 4.0 50.00 50.00 1000.00" 16 1 16 70 rr_1r2l 2
stop_
save_
save_Discover_distance_constraints_3_1
_Distance_constraint_list.Sf_category distance_constraints
_Distance_constraint_list.Sf_framecode Discover_distance_constraints_3_1
_Distance_constraint_list.Entry_ID rr_1r2l
_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 3
loop_
_Distance_constraint_software.Software_ID
_Distance_constraint_software.Software_label
_Distance_constraint_software.Method_ID
_Distance_constraint_software.Method_label
_Distance_constraint_software.Entry_ID
_Distance_constraint_software.Distance_constraint_list_ID
. . . . rr_1r2l 3
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_1r2l 3
2 1 . . . rr_1r2l 3
3 1 . . . rr_1r2l 3
4 1 . . . rr_1r2l 3
5 1 . . . rr_1r2l 3
6 1 . . . rr_1r2l 3
7 1 . . . rr_1r2l 3
8 1 . . . rr_1r2l 3
9 1 . . . rr_1r2l 3
10 1 . . . rr_1r2l 3
11 1 . . . rr_1r2l 3
12 1 . . . rr_1r2l 3
13 1 . . . rr_1r2l 3
14 1 . . . rr_1r2l 3
15 1 . . . rr_1r2l 3
16 1 . . . rr_1r2l 3
17 1 . . . rr_1r2l 3
18 1 . . . rr_1r2l 3
19 1 . . . rr_1r2l 3
20 1 . . . rr_1r2l 3
21 1 . . . rr_1r2l 3
22 1 . . . rr_1r2l 3
23 1 . . . rr_1r2l 3
24 1 . . . rr_1r2l 3
25 1 . . . rr_1r2l 3
stop_
loop_
_Dist_constraint.Tree_node_member_constraint_ID
_Dist_constraint.Tree_node_member_node_ID
_Dist_constraint.Contribution_fractional_val
_Dist_constraint.Constraint_tree_node_member_ID
_Dist_constraint.Assembly_atom_ID
_Dist_constraint.Entity_assembly_ID
_Dist_constraint.Entity_ID
_Dist_constraint.Comp_index_ID
_Dist_constraint.Seq_ID
_Dist_constraint.Comp_ID
_Dist_constraint.Atom_ID
_Dist_constraint.Atom_type
_Dist_constraint.Atom_isotope_number
_Dist_constraint.Resonance_ID
_Dist_constraint.Auth_asym_ID
_Dist_constraint.Auth_entity_assembly_ID
_Dist_constraint.Auth_seq_ID
_Dist_constraint.Auth_comp_ID
_Dist_constraint.Auth_atom_ID
_Dist_constraint.Entry_ID
_Dist_constraint.Distance_constraint_list_ID
1 1 . 1 . 1 1 6 6 DA C1' C . . 1 . 6 A C1' rr_1r2l 3
1 1 . 2 . 2 2 6 6 DG C1' C . . B . 6 G C1' rr_1r2l 3
2 1 . 1 . 1 1 1 1 DNR O2 O . . 1 . 1 C O2 rr_1r2l 3
2 1 . 2 . 2 2 1 1 DC H42 H . . B . 1 C H42 rr_1r2l 3
3 1 . 1 . 1 1 1 1 DNR H42 H . . 1 . 1 C H42 rr_1r2l 3
3 1 . 2 . 2 2 1 1 DC O2 O . . B . 1 C O2 rr_1r2l 3
4 1 . 1 . 1 1 2 2 DNR O2 O . . 1 . 2 C O2 rr_1r2l 3
4 1 . 2 . 2 2 2 2 DC H42 H . . B . 2 C H42 rr_1r2l 3
5 1 . 1 . 1 1 2 2 DNR H42 H . . 1 . 2 C H42 rr_1r2l 3
5 1 . 2 . 2 2 2 2 DC O2 O . . B . 2 C O2 rr_1r2l 3
6 1 . 1 . 1 1 3 3 DA H61 H . . 1 . 3 A H61 rr_1r2l 3
6 1 . 2 . 2 2 3 3 DT O2 O . . B . 3 T O2 rr_1r2l 3
7 1 . 1 . 1 1 3 3 DA N1 N . . 1 . 3 A N1 rr_1r2l 3
7 1 . 2 . 2 2 3 3 DT H3 H . . B . 3 T H3 rr_1r2l 3
8 1 . 1 . 1 1 4 4 DT O2 O . . 1 . 4 T O2 rr_1r2l 3
8 1 . 2 . 2 2 4 4 DA H61 H . . B . 4 A H61 rr_1r2l 3
9 1 . 1 . 1 1 4 4 DT H3 H . . 1 . 4 T H3 rr_1r2l 3
9 1 . 2 . 2 2 4 4 DA N1 N . . B . 4 A N1 rr_1r2l 3
10 1 . 1 . 1 1 5 5 DA H61 H . . 1 . 5 A H61 rr_1r2l 3
10 1 . 2 . 2 2 5 5 DT O2 O . . B . 5 T O2 rr_1r2l 3
11 1 . 1 . 1 1 5 5 DA N1 N . . 1 . 5 A N1 rr_1r2l 3
11 1 . 2 . 2 2 5 5 DT H3 H . . B . 5 T H3 rr_1r2l 3
12 1 . 1 . 1 1 6 6 DA H61 H . . 1 . 6 A H61 rr_1r2l 3
12 1 . 2 . 2 2 6 6 DG O6 O . . B . 6 G O6 rr_1r2l 3
13 1 . 1 . 1 1 6 6 DA N1 N . . 1 . 6 A N1 rr_1r2l 3
13 1 . 2 . 2 2 6 6 DG H1 H . . B . 6 G H1 rr_1r2l 3
14 1 . 1 . 1 1 7 7 DT O2 O . . 1 . 7 T O2 rr_1r2l 3
14 1 . 2 . 2 2 7 7 DA H61 H . . B . 7 A H61 rr_1r2l 3
15 1 . 1 . 1 1 7 7 DT H3 H . . 1 . 7 T H3 rr_1r2l 3
15 1 . 2 . 2 2 7 7 DA N1 N . . B . 7 A N1 rr_1r2l 3
16 1 . 1 . 1 1 8 8 DT O2 O . . 1 . 8 T O2 rr_1r2l 3
16 1 . 2 . 2 2 8 8 DA H61 H . . B . 8 A H61 rr_1r2l 3
17 1 . 1 . 1 1 8 8 DT H3 H . . 1 . 8 T H3 rr_1r2l 3
17 1 . 2 . 2 2 8 8 DA N1 N . . B . 8 A N1 rr_1r2l 3
18 1 . 1 . 1 1 9 9 DT O2 O . . 1 . 9 T O2 rr_1r2l 3
18 1 . 2 . 2 2 9 9 DA H61 H . . B . 9 A H61 rr_1r2l 3
19 1 . 1 . 1 1 9 9 DT H3 H . . 1 . 9 T H3 rr_1r2l 3
19 1 . 2 . 2 2 9 9 DA N1 N . . B . 9 A N1 rr_1r2l 3
20 1 . 1 . 1 1 10 10 DA H61 H . . 1 . 10 A H61 rr_1r2l 3
20 1 . 2 . 2 2 10 10 DT O2 O . . B . 10 T O2 rr_1r2l 3
21 1 . 1 . 1 1 10 10 DA N1 N . . 1 . 10 A N1 rr_1r2l 3
21 1 . 2 . 2 2 10 10 DT H3 H . . B . 10 T H3 rr_1r2l 3
22 1 . 1 . 2 2 11 11 DC O2 O . . B . 11 C O2 rr_1r2l 3
22 1 . 2 . 1 1 11 11 DNR H42 H . . 1 . 11 C H42 rr_1r2l 3
23 1 . 1 . 2 2 11 11 DC H42 H . . B . 11 C H42 rr_1r2l 3
23 1 . 2 . 1 1 11 11 DNR O2 O . . 1 . 11 C O2 rr_1r2l 3
24 1 . 1 . 2 2 12 12 DC O2 O . . B . 12 C O2 rr_1r2l 3
24 1 . 2 . 1 1 12 12 DNR H42 H . . 1 . 12 C H42 rr_1r2l 3
25 1 . 1 . 2 2 12 12 DC H42 H . . B . 12 C H42 rr_1r2l 3
25 1 . 2 . 1 1 12 12 DNR O2 O . . 1 . 12 C O2 rr_1r2l 3
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 . . . . . . . 12.30 13.20 rr_1r2l 3
2 1 . . . . . . . 1.92 2.20 rr_1r2l 3
3 1 . . . . . . . 1.92 2.20 rr_1r2l 3
4 1 . . . . . . . 1.92 2.20 rr_1r2l 3
5 1 . . . . . . . 1.92 2.20 rr_1r2l 3
6 1 . . . . . . . 1.92 2.20 rr_1r2l 3
7 1 . . . . . . . 1.92 2.20 rr_1r2l 3
8 1 . . . . . . . 1.92 2.20 rr_1r2l 3
9 1 . . . . . . . 1.92 2.20 rr_1r2l 3
10 1 . . . . . . . 1.92 2.20 rr_1r2l 3
11 1 . . . . . . . 1.92 2.20 rr_1r2l 3
12 1 . . . . . . . 1.92 2.20 rr_1r2l 3
13 1 . . . . . . . 1.92 2.22 rr_1r2l 3
14 1 . . . . . . . 1.92 2.20 rr_1r2l 3
15 1 . . . . . . . 1.92 2.20 rr_1r2l 3
16 1 . . . . . . . 1.92 2.20 rr_1r2l 3
17 1 . . . . . . . 1.92 2.20 rr_1r2l 3
18 1 . . . . . . . 1.92 2.20 rr_1r2l 3
19 1 . . . . . . . 1.92 2.20 rr_1r2l 3
20 1 . . . . . . . 1.92 2.20 rr_1r2l 3
21 1 . . . . . . . 1.92 2.20 rr_1r2l 3
22 1 . . . . . . . 1.92 2.20 rr_1r2l 3
23 1 . . . . . . . 1.92 2.20 rr_1r2l 3
24 1 . . . . . . . 1.92 2.20 rr_1r2l 3
25 1 . . . . . . . 1.92 2.20 rr_1r2l 3
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
;hydrogen bond
distance
;
1 1 2 9 rr_1r2l 3
stop_
loop_
_Dist_constraint_conv_err.ID
_Dist_constraint_conv_err.Dist_constraint_parse_file_ID
_Dist_constraint_conv_err.Parse_file_constraint_ID
_Dist_constraint_conv_err.Conv_error_type
_Dist_constraint_conv_err.Conv_error_note
_Dist_constraint_conv_err.Entry_ID
_Dist_constraint_conv_err.Distance_constraint_list_ID
1 3 26 1 "Not handling restraint 26, item 1, resonance(s) '1.1.H3' (nmrStar names) not linked" rr_1r2l 3
2 3 27 1 "Not handling restraint 27, item 1, resonance(s) '1.2.H3' (nmrStar names) not linked" rr_1r2l 3
3 3 28 1 "Not handling restraint 28, item 1, resonance(s) '1.11.H3' (nmrStar names) not linked" rr_1r2l 3
4 3 29 1 "Not handling restraint 29, item 1, resonance(s) '1.12.H3' (nmrStar names) not linked" rr_1r2l 3
stop_
save_
save_Discover_distance_constraints_5_1
_Distance_constraint_list.Sf_category distance_constraints
_Distance_constraint_list.Sf_framecode Discover_distance_constraints_5_1
_Distance_constraint_list.Entry_ID rr_1r2l
_Distance_constraint_list.ID 4
_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 5
loop_
_Distance_constraint_software.Software_ID
_Distance_constraint_software.Software_label
_Distance_constraint_software.Method_ID
_Distance_constraint_software.Method_label
_Distance_constraint_software.Entry_ID
_Distance_constraint_software.Distance_constraint_list_ID
. . . . rr_1r2l 4
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_1r2l 4
2 1 . . . rr_1r2l 4
3 1 . . . rr_1r2l 4
4 1 . . . rr_1r2l 4
5 1 . . . rr_1r2l 4
6 1 . . . rr_1r2l 4
7 1 . . . rr_1r2l 4
8 1 . . . rr_1r2l 4
9 1 . . . rr_1r2l 4
10 1 . . . rr_1r2l 4
11 1 . . . rr_1r2l 4
12 1 . . . rr_1r2l 4
13 1 . . . rr_1r2l 4
14 1 . . . rr_1r2l 4
15 1 . . . rr_1r2l 4
16 1 . . . rr_1r2l 4
17 1 . . . rr_1r2l 4
18 1 . . . rr_1r2l 4
19 1 . . . rr_1r2l 4
20 1 . . . rr_1r2l 4
21 1 . . . rr_1r2l 4
22 1 . . . rr_1r2l 4
23 1 . . . rr_1r2l 4
24 1 . . . rr_1r2l 4
25 1 . . . rr_1r2l 4
26 1 . . . rr_1r2l 4
27 1 . . . rr_1r2l 4
28 1 . . . rr_1r2l 4
stop_
loop_
_Dist_constraint.Tree_node_member_constraint_ID
_Dist_constraint.Tree_node_member_node_ID
_Dist_constraint.Contribution_fractional_val
_Dist_constraint.Constraint_tree_node_member_ID
_Dist_constraint.Assembly_atom_ID
_Dist_constraint.Entity_assembly_ID
_Dist_constraint.Entity_ID
_Dist_constraint.Comp_index_ID
_Dist_constraint.Seq_ID
_Dist_constraint.Comp_ID
_Dist_constraint.Atom_ID
_Dist_constraint.Atom_type
_Dist_constraint.Atom_isotope_number
_Dist_constraint.Resonance_ID
_Dist_constraint.Auth_asym_ID
_Dist_constraint.Auth_entity_assembly_ID
_Dist_constraint.Auth_seq_ID
_Dist_constraint.Auth_comp_ID
_Dist_constraint.Auth_atom_ID
_Dist_constraint.Entry_ID
_Dist_constraint.Distance_constraint_list_ID
1 1 . 1 . 1 1 1 1 DNR O2 O . . 1 . 1 C O2 rr_1r2l 4
1 1 . 2 . 2 2 1 1 DC N4 N . . B . 1 C N4 rr_1r2l 4
2 1 . 1 . 1 1 1 1 DNR N4 N . . 1 . 1 C N4 rr_1r2l 4
2 1 . 2 . 2 2 1 1 DC O2 O . . B . 1 C O2 rr_1r2l 4
3 1 . 1 . 1 1 2 2 DNR O2 O . . 1 . 2 C O2 rr_1r2l 4
3 1 . 2 . 2 2 2 2 DC N4 N . . B . 2 C N4 rr_1r2l 4
4 1 . 1 . 1 1 2 2 DNR N4 N . . 1 . 2 C N4 rr_1r2l 4
4 1 . 2 . 2 2 2 2 DC O2 O . . B . 2 C O2 rr_1r2l 4
5 1 . 1 . 1 1 3 3 DA N6 N . . 1 . 3 A N6 rr_1r2l 4
5 1 . 2 . 2 2 3 3 DT O2 O . . B . 3 T O2 rr_1r2l 4
6 1 . 1 . 1 1 3 3 DA N1 N . . 1 . 3 A N1 rr_1r2l 4
6 1 . 2 . 2 2 3 3 DT N3 N . . B . 3 T N3 rr_1r2l 4
7 1 . 1 . 1 1 4 4 DT O2 O . . 1 . 4 T O2 rr_1r2l 4
7 1 . 2 . 2 2 4 4 DA N6 N . . B . 4 A N6 rr_1r2l 4
8 1 . 1 . 1 1 4 4 DT N3 N . . 1 . 4 T N3 rr_1r2l 4
8 1 . 2 . 2 2 4 4 DA N1 N . . B . 4 A N1 rr_1r2l 4
9 1 . 1 . 1 1 5 5 DA N6 N . . 1 . 5 A N6 rr_1r2l 4
9 1 . 2 . 2 2 5 5 DT O2 O . . B . 5 T O2 rr_1r2l 4
10 1 . 1 . 1 1 5 5 DA N1 N . . 1 . 5 A N1 rr_1r2l 4
10 1 . 2 . 2 2 5 5 DT N3 N . . B . 5 T N3 rr_1r2l 4
11 1 . 1 . 1 1 6 6 DA N6 N . . 1 . 6 A N6 rr_1r2l 4
11 1 . 2 . 2 2 6 6 DG O6 O . . B . 6 G O6 rr_1r2l 4
12 1 . 1 . 1 1 6 6 DA N1 N . . 1 . 6 A N1 rr_1r2l 4
12 1 . 2 . 2 2 6 6 DG N1 N . . B . 6 G N1 rr_1r2l 4
13 1 . 1 . 1 1 7 7 DT O2 O . . 1 . 7 T O2 rr_1r2l 4
13 1 . 2 . 2 2 7 7 DA N6 N . . B . 7 A N6 rr_1r2l 4
14 1 . 1 . 1 1 7 7 DT N3 N . . 1 . 7 T N3 rr_1r2l 4
14 1 . 2 . 2 2 7 7 DA N1 N . . B . 7 A N1 rr_1r2l 4
15 1 . 1 . 1 1 8 8 DT O2 O . . 1 . 8 T O2 rr_1r2l 4
15 1 . 2 . 2 2 8 8 DA N6 N . . B . 8 A N6 rr_1r2l 4
16 1 . 1 . 1 1 8 8 DT N3 N . . 1 . 8 T N3 rr_1r2l 4
16 1 . 2 . 2 2 8 8 DA N1 N . . B . 8 A N1 rr_1r2l 4
17 1 . 1 . 1 1 9 9 DT O2 O . . 1 . 9 T O2 rr_1r2l 4
17 1 . 2 . 2 2 9 9 DA N6 N . . B . 9 A N6 rr_1r2l 4
18 1 . 1 . 1 1 9 9 DT N3 N . . 1 . 9 T N3 rr_1r2l 4
18 1 . 2 . 2 2 9 9 DA N1 N . . B . 9 A N1 rr_1r2l 4
19 1 . 1 . 1 1 10 10 DA N6 N . . 1 . 10 A N6 rr_1r2l 4
19 1 . 2 . 2 2 10 10 DT O2 O . . B . 10 T O2 rr_1r2l 4
20 1 . 1 . 1 1 10 10 DA N1 N . . 1 . 10 A N1 rr_1r2l 4
20 1 . 2 . 2 2 10 10 DT N3 N . . B . 10 T N3 rr_1r2l 4
21 1 . 1 . 2 2 11 11 DC O2 O . . B . 11 C O2 rr_1r2l 4
21 1 . 2 . 1 1 11 11 DNR N4 N . . 1 . 11 C N4 rr_1r2l 4
22 1 . 1 . 2 2 11 11 DC N4 N . . B . 11 C N4 rr_1r2l 4
22 1 . 2 . 1 1 11 11 DNR O2 O . . 1 . 11 C O2 rr_1r2l 4
23 1 . 1 . 2 2 12 12 DC O2 O . . B . 12 C O2 rr_1r2l 4
23 1 . 2 . 1 1 12 12 DNR N4 N . . 1 . 12 C N4 rr_1r2l 4
24 1 . 1 . 2 2 12 12 DC N4 N . . B . 12 C N4 rr_1r2l 4
24 1 . 2 . 1 1 12 12 DNR O2 O . . 1 . 12 C O2 rr_1r2l 4
25 1 . 1 . 2 2 1 1 DC N3 N . . B . 1 C N3 rr_1r2l 4
25 1 . 2 . 1 1 1 1 DNR N3 N . . 1 . 1 C N3 rr_1r2l 4
26 1 . 1 . 2 2 2 2 DC N3 N . . B . 2 C N3 rr_1r2l 4
26 1 . 2 . 1 1 2 2 DNR N3 N . . 1 . 2 C N3 rr_1r2l 4
27 1 . 1 . 2 2 11 11 DC N3 N . . B . 11 C N3 rr_1r2l 4
27 1 . 2 . 1 1 11 11 DNR N3 N . . 1 . 11 C N3 rr_1r2l 4
28 1 . 1 . 2 2 12 12 DC N3 N . . B . 12 C N3 rr_1r2l 4
28 1 . 2 . 1 1 12 12 DNR N3 N . . 1 . 12 C N3 rr_1r2l 4
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 . . . . . . . 2.93 3.1 rr_1r2l 4
2 1 . . . . . . . 2.93 3.1 rr_1r2l 4
3 1 . . . . . . . 2.93 3.1 rr_1r2l 4
4 1 . . . . . . . 2.93 3.1 rr_1r2l 4
5 1 . . . . . . . 2.93 3.1 rr_1r2l 4
6 1 . . . . . . . 2.93 3.1 rr_1r2l 4
7 1 . . . . . . . 2.93 3.1 rr_1r2l 4
8 1 . . . . . . . 2.93 3.1 rr_1r2l 4
9 1 . . . . . . . 2.93 3.1 rr_1r2l 4
10 1 . . . . . . . 2.93 3.1 rr_1r2l 4
11 1 . . . . . . . 2.93 3.1 rr_1r2l 4
12 1 . . . . . . . 2.93 3.1 rr_1r2l 4
13 1 . . . . . . . 2.93 3.1 rr_1r2l 4
14 1 . . . . . . . 2.93 3.1 rr_1r2l 4
15 1 . . . . . . . 2.93 3.1 rr_1r2l 4
16 1 . . . . . . . 2.93 3.1 rr_1r2l 4
17 1 . . . . . . . 2.93 3.1 rr_1r2l 4
18 1 . . . . . . . 2.93 3.1 rr_1r2l 4
19 1 . . . . . . . 2.93 3.1 rr_1r2l 4
20 1 . . . . . . . 2.93 3.1 rr_1r2l 4
21 1 . . . . . . . 2.93 3.1 rr_1r2l 4
22 1 . . . . . . . 2.93 3.1 rr_1r2l 4
23 1 . . . . . . . 2.93 3.1 rr_1r2l 4
24 1 . . . . . . . 2.73 3.1 rr_1r2l 4
25 1 . . . . . . . 2.93 3.1 rr_1r2l 4
26 1 . . . . . . . 2.93 3.1 rr_1r2l 4
27 1 . . . . . . . 2.93 3.1 rr_1r2l 4
28 1 . . . . . . . 2.93 3.1 rr_1r2l 4
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 "Heavy Atom hydrogen bonding" 1 1 2 28 rr_1r2l 4
stop_
save_
save_Discover_dihedral_6
_Torsion_angle_constraint_list.Sf_category torsion_angle_constraints
_Torsion_angle_constraint_list.Sf_framecode Discover_dihedral_6
_Torsion_angle_constraint_list.Entry_ID rr_1r2l
_Torsion_angle_constraint_list.ID 1
_Torsion_angle_constraint_list.Details "Generated by Wattos"
_Torsion_angle_constraint_list.Constraint_file_ID 1
_Torsion_angle_constraint_list.Block_ID 6
loop_
_Torsion_angle_constraint_software.Software_ID
_Torsion_angle_constraint_software.Software_label
_Torsion_angle_constraint_software.Method_ID
_Torsion_angle_constraint_software.Method_label
_Torsion_angle_constraint_software.Entry_ID
_Torsion_angle_constraint_software.Torsion_angle_constraint_list_ID
. . . . rr_1r2l 1
stop_
loop_
_Torsion_angle_constraint.ID
_Torsion_angle_constraint.Torsion_angle_name
_Torsion_angle_constraint.Assembly_atom_ID_1
_Torsion_angle_constraint.Entity_assembly_ID_1
_Torsion_angle_constraint.Entity_ID_1
_Torsion_angle_constraint.Comp_index_ID_1
_Torsion_angle_constraint.Seq_ID_1
_Torsion_angle_constraint.Comp_ID_1
_Torsion_angle_constraint.Atom_ID_1
_Torsion_angle_constraint.Atom_type_1
_Torsion_angle_constraint.Resonance_ID_1
_Torsion_angle_constraint.Assembly_atom_ID_2
_Torsion_angle_constraint.Entity_assembly_ID_2
_Torsion_angle_constraint.Entity_ID_2
_Torsion_angle_constraint.Comp_index_ID_2
_Torsion_angle_constraint.Seq_ID_2
_Torsion_angle_constraint.Comp_ID_2
_Torsion_angle_constraint.Atom_ID_2
_Torsion_angle_constraint.Atom_type_2
_Torsion_angle_constraint.Resonance_ID_2
_Torsion_angle_constraint.Assembly_atom_ID_3
_Torsion_angle_constraint.Entity_assembly_ID_3
_Torsion_angle_constraint.Entity_ID_3
_Torsion_angle_constraint.Comp_index_ID_3
_Torsion_angle_constraint.Seq_ID_3
_Torsion_angle_constraint.Comp_ID_3
_Torsion_angle_constraint.Atom_ID_3
_Torsion_angle_constraint.Atom_type_3
_Torsion_angle_constraint.Resonance_ID_3
_Torsion_angle_constraint.Assembly_atom_ID_4
_Torsion_angle_constraint.Entity_assembly_ID_4
_Torsion_angle_constraint.Entity_ID_4
_Torsion_angle_constraint.Comp_index_ID_4
_Torsion_angle_constraint.Seq_ID_4
_Torsion_angle_constraint.Comp_ID_4
_Torsion_angle_constraint.Atom_ID_4
_Torsion_angle_constraint.Atom_type_4
_Torsion_angle_constraint.Resonance_ID_4
_Torsion_angle_constraint.Angle_lower_bound_val
_Torsion_angle_constraint.Angle_upper_bound_val
_Torsion_angle_constraint.Source_experiment_ID
_Torsion_angle_constraint.PDB_record_ID_1
_Torsion_angle_constraint.PDB_model_num_1
_Torsion_angle_constraint.PDB_strand_ID_1
_Torsion_angle_constraint.PDB_ins_code_1
_Torsion_angle_constraint.PDB_residue_no_1
_Torsion_angle_constraint.PDB_residue_name_1
_Torsion_angle_constraint.PDB_atom_name_1
_Torsion_angle_constraint.PDB_record_ID_2
_Torsion_angle_constraint.PDB_model_num_2
_Torsion_angle_constraint.PDB_strand_ID_2
_Torsion_angle_constraint.PDB_ins_code_2
_Torsion_angle_constraint.PDB_residue_no_2
_Torsion_angle_constraint.PDB_residue_name_2
_Torsion_angle_constraint.PDB_atom_name_2
_Torsion_angle_constraint.PDB_record_ID_3
_Torsion_angle_constraint.PDB_model_num_3
_Torsion_angle_constraint.PDB_strand_ID_3
_Torsion_angle_constraint.PDB_ins_code_3
_Torsion_angle_constraint.PDB_residue_no_3
_Torsion_angle_constraint.PDB_residue_name_3
_Torsion_angle_constraint.PDB_atom_name_3
_Torsion_angle_constraint.PDB_record_ID_4
_Torsion_angle_constraint.PDB_model_num_4
_Torsion_angle_constraint.PDB_strand_ID_4
_Torsion_angle_constraint.PDB_ins_code_4
_Torsion_angle_constraint.PDB_residue_no_4
_Torsion_angle_constraint.PDB_residue_name_4
_Torsion_angle_constraint.PDB_atom_name_4
_Torsion_angle_constraint.Auth_entity_assembly_ID_1
_Torsion_angle_constraint.Auth_asym_ID_1
_Torsion_angle_constraint.Auth_chain_ID_1
_Torsion_angle_constraint.Auth_seq_ID_1
_Torsion_angle_constraint.Auth_comp_ID_1
_Torsion_angle_constraint.Auth_atom_ID_1
_Torsion_angle_constraint.Auth_alt_ID_1
_Torsion_angle_constraint.Auth_atom_name_1
_Torsion_angle_constraint.Auth_entity_assembly_ID_2
_Torsion_angle_constraint.Auth_asym_ID_2
_Torsion_angle_constraint.Auth_chain_ID_2
_Torsion_angle_constraint.Auth_seq_ID_2
_Torsion_angle_constraint.Auth_comp_ID_2
_Torsion_angle_constraint.Auth_atom_ID_2
_Torsion_angle_constraint.Auth_alt_ID_2
_Torsion_angle_constraint.Auth_atom_name_2
_Torsion_angle_constraint.Auth_entity_assembly_ID_3
_Torsion_angle_constraint.Auth_asym_ID_3
_Torsion_angle_constraint.Auth_chain_ID_3
_Torsion_angle_constraint.Auth_seq_ID_3
_Torsion_angle_constraint.Auth_comp_ID_3
_Torsion_angle_constraint.Auth_atom_ID_3
_Torsion_angle_constraint.Auth_alt_ID_3
_Torsion_angle_constraint.Auth_atom_name_3
_Torsion_angle_constraint.Auth_entity_assembly_ID_4
_Torsion_angle_constraint.Auth_asym_ID_4
_Torsion_angle_constraint.Auth_chain_ID_4
_Torsion_angle_constraint.Auth_seq_ID_4
_Torsion_angle_constraint.Auth_comp_ID_4
_Torsion_angle_constraint.Auth_atom_ID_4
_Torsion_angle_constraint.Auth_alt_ID_4
_Torsion_angle_constraint.Auth_atom_name_4
_Torsion_angle_constraint.Entry_ID
_Torsion_angle_constraint.Torsion_angle_constraint_list_ID
1 . . 2 2 1 1 DC O3' O . . 2 2 2 2 DC P P . . 2 2 2 2 DC O5' O . . 2 2 2 2 DC C5' C . 260.0 310.0 . . . B . 1 DC O3' . . B . 2 DC P . . B . 2 DC O5' . . B . 2 DC C5' . B . 1 C O3' . . . B . 2 C P . . . B . 2 C O5' . . . B . 2 C C5' . . rr_1r2l 1
2 . . 2 2 2 2 DC O3' O . . 2 2 3 3 DT P P . . 2 2 3 3 DT O5' O . . 2 2 3 3 DT C5' C . 260.0 310.0 . . . B . 2 DC O3' . . B . 3 DT P . . B . 3 DT O5' . . B . 3 DT C5' . B . 2 C O3' . . . B . 3 T P . . . B . 3 T O5' . . . B . 3 T C5' . . rr_1r2l 1
3 . . 2 2 3 3 DT O3' O . . 2 2 4 4 DA P P . . 2 2 4 4 DA O5' O . . 2 2 4 4 DA C5' C . 260.0 310.0 . . . B . 3 DT O3' . . B . 4 DA P . . B . 4 DA O5' . . B . 4 DA C5' . B . 3 T O3' . . . B . 4 A P . . . B . 4 A O5' . . . B . 4 A C5' . . rr_1r2l 1
4 . . 2 2 4 4 DA O3' O . . 2 2 5 5 DT P P . . 2 2 5 5 DT O5' O . . 2 2 5 5 DT C5' C . 245.0 325.0 . . . B . 4 DA O3' . . B . 5 DT P . . B . 5 DT O5' . . B . 5 DT C5' . B . 4 A O3' . . . B . 5 T P . . . B . 5 T O5' . . . B . 5 T C5' . . rr_1r2l 1
5 . . 2 2 5 5 DT O3' O . . 2 2 6 6 DG P P . . 2 2 6 6 DG O5' O . . 2 2 6 6 DG C5' C . 245.0 325.0 . . . B . 5 DT O3' . . B . 6 DG P . . B . 6 DG O5' . . B . 6 DG C5' . B . 5 T O3' . . . B . 6 G P . . . B . 6 G O5' . . . B . 6 G C5' . . rr_1r2l 1
6 . . 2 2 6 6 DG O3' O . . 2 2 7 7 DA P P . . 2 2 7 7 DA O5' O . . 2 2 7 7 DA C5' C . 245.0 325.0 . . . B . 6 DG O3' . . B . 7 DA P . . B . 7 DA O5' . . B . 7 DA C5' . B . 6 G O3' . . . B . 7 A P . . . B . 7 A O5' . . . B . 7 A C5' . . rr_1r2l 1
7 . . 2 2 7 7 DA O3' O . . 2 2 8 8 DA P P . . 2 2 8 8 DA O5' O . . 2 2 8 8 DA C5' C . 260.0 310.0 . . . B . 7 DA O3' . . B . 8 DA P . . B . 8 DA O5' . . B . 8 DA C5' . B . 7 A O3' . . . B . 8 A P . . . B . 8 A O5' . . . B . 8 A C5' . . rr_1r2l 1
8 . . 2 2 8 8 DA O3' O . . 2 2 9 9 DA P P . . 2 2 9 9 DA O5' O . . 2 2 9 9 DA C5' C . 260.0 310.0 . . . B . 8 DA O3' . . B . 9 DA P . . B . 9 DA O5' . . B . 9 DA C5' . B . 8 A O3' . . . B . 9 A P . . . B . 9 A O5' . . . B . 9 A C5' . . rr_1r2l 1
9 . . 2 2 9 9 DA O3' O . . 2 2 10 10 DT P P . . 2 2 10 10 DT O5' O . . 2 2 10 10 DT C5' C . 260.0 310.0 . . . B . 9 DA O3' . . B . 10 DT P . . B . 10 DT O5' . . B . 10 DT C5' . B . 9 A O3' . . . B . 10 T P . . . B . 10 T O5' . . . B . 10 T C5' . . rr_1r2l 1
10 . . 2 2 10 10 DT O3' O . . 2 2 11 11 DC P P . . 2 2 11 11 DC O5' O . . 2 2 11 11 DC C5' C . 260.0 310.0 . . . B . 10 DT O3' . . B . 11 DC P . . B . 11 DC O5' . . B . 11 DC C5' . B . 10 T O3' . . . B . 11 C P . . . B . 11 C O5' . . . B . 11 C C5' . . rr_1r2l 1
11 . . 2 2 11 11 DC O3' O . . 2 2 12 12 DC P P . . 2 2 12 12 DC O5' O . . 2 2 12 12 DC C5' C . 260.0 310.0 . . . B . 11 DC O3' . . B . 12 DC P . . B . 12 DC O5' . . B . 12 DC C5' . B . 11 C O3' . . . B . 12 C P . . . B . 12 C O5' . . . B . 12 C C5' . . rr_1r2l 1
12 . . 1 1 1 1 DNR O3' O . . 1 1 2 2 DNR P P . . 1 1 2 2 DNR O5' O . . 1 1 2 2 DNR C5' C . 260.0 310.0 . . . A . 1 DNR O3' . . A . 2 DNR P . . A . 2 DNR O5' . . A . 2 DNR C5' . 1 . 1 C O3' . . . 1 . 2 C P . . . 1 . 2 C O5' . . . 1 . 2 C C5' . . rr_1r2l 1
13 . . 1 1 2 2 DNR O3' O . . 1 1 3 3 DA P P . . 1 1 3 3 DA O5' O . . 1 1 3 3 DA C5' C . 260.0 310.0 . . . A . 2 DNR O3' . . A . 3 DA P . . A . 3 DA O5' . . A . 3 DA C5' . 1 . 2 C O3' . . . 1 . 3 A P . . . 1 . 3 A O5' . . . 1 . 3 A C5' . . rr_1r2l 1
14 . . 1 1 3 3 DA O3' O . . 1 1 4 4 DT P P . . 1 1 4 4 DT O5' O . . 1 1 4 4 DT C5' C . 260.0 310.0 . . . A . 3 DA O3' . . A . 4 DT P . . A . 4 DT O5' . . A . 4 DT C5' . 1 . 3 A O3' . . . 1 . 4 T P . . . 1 . 4 T O5' . . . 1 . 4 T C5' . . rr_1r2l 1
15 . . 1 1 4 4 DT O3' O . . 1 1 5 5 DA P P . . 1 1 5 5 DA O5' O . . 1 1 5 5 DA C5' C . 245.0 325.0 . . . A . 4 DT O3' . . A . 5 DA P . . A . 5 DA O5' . . A . 5 DA C5' . 1 . 4 T O3' . . . 1 . 5 A P . . . 1 . 5 A O5' . . . 1 . 5 A C5' . . rr_1r2l 1
16 . . 1 1 5 5 DA O3' O . . 1 1 6 6 DA P P . . 1 1 6 6 DA O5' O . . 1 1 6 6 DA C5' C . 245.0 325.0 . . . A . 5 DA O3' . . A . 6 DA P . . A . 6 DA O5' . . A . 6 DA C5' . 1 . 5 A O3' . . . 1 . 6 A P . . . 1 . 6 A O5' . . . 1 . 6 A C5' . . rr_1r2l 1
17 . . 1 1 6 6 DA O3' O . . 1 1 7 7 DT P P . . 1 1 7 7 DT O5' O . . 1 1 7 7 DT C5' C . 245.0 325.0 . . . A . 6 DA O3' . . A . 7 DT P . . A . 7 DT O5' . . A . 7 DT C5' . 1 . 6 A O3' . . . 1 . 7 T P . . . 1 . 7 T O5' . . . 1 . 7 T C5' . . rr_1r2l 1
18 . . 1 1 7 7 DT O3' O . . 1 1 8 8 DT P P . . 1 1 8 8 DT O5' O . . 1 1 8 8 DT C5' C . 260.0 310.0 . . . A . 7 DT O3' . . A . 8 DT P . . A . 8 DT O5' . . A . 8 DT C5' . 1 . 7 T O3' . . . 1 . 8 T P . . . 1 . 8 T O5' . . . 1 . 8 T C5' . . rr_1r2l 1
19 . . 1 1 8 8 DT O3' O . . 1 1 9 9 DT P P . . 1 1 9 9 DT O5' O . . 1 1 9 9 DT C5' C . 260.0 310.0 . . . A . 8 DT O3' . . A . 9 DT P . . A . 9 DT O5' . . A . 9 DT C5' . 1 . 8 T O3' . . . 1 . 9 T P . . . 1 . 9 T O5' . . . 1 . 9 T C5' . . rr_1r2l 1
20 . . 1 1 9 9 DT O3' O . . 1 1 10 10 DA P P . . 1 1 10 10 DA O5' O . . 1 1 10 10 DA C5' C . 260.0 310.0 . . . A . 9 DT O3' . . A . 10 DA P . . A . 10 DA O5' . . A . 10 DA C5' . 1 . 9 T O3' . . . 1 . 10 A P . . . 1 . 10 A O5' . . . 1 . 10 A C5' . . rr_1r2l 1
21 . . 1 1 10 10 DA O3' O . . 1 1 11 11 DNR P P . . 1 1 11 11 DNR O5' O . . 1 1 11 11 DNR C5' C . 260.0 310.0 . . . A . 10 DA O3' . . A . 11 DNR P . . A . 11 DNR O5' . . A . 11 DNR C5' . 1 . 10 A O3' . . . 1 . 11 C P . . . 1 . 11 C O5' . . . 1 . 11 C C5' . . rr_1r2l 1
22 . . 1 1 11 11 DNR O3' O . . 1 1 12 12 DNR P P . . 1 1 12 12 DNR O5' O . . 1 1 12 12 DNR C5' C . 260.0 310.0 . . . A . 11 DNR O3' . . A . 12 DNR P . . A . 12 DNR O5' . . A . 12 DNR C5' . 1 . 11 C O3' . . . 1 . 12 C P . . . 1 . 12 C O5' . . . 1 . 12 C C5' . . rr_1r2l 1
23 . . 2 2 1 1 DC P P . . 2 2 1 1 DC O5' O . . 2 2 1 1 DC C5' C . . 2 2 1 1 DC C4' C . 150.0 210.0 . . . B . 1 DC P . . B . 1 DC O5' . . B . 1 DC C5' . . B . 1 DC C4' . B . 1 C P . . . B . 1 C O5' . . . B . 1 C C5' . . . B . 1 C C4' . . rr_1r2l 1
24 . . 2 2 2 2 DC P P . . 2 2 2 2 DC O5' O . . 2 2 2 2 DC C5' C . . 2 2 2 2 DC C4' C . 150.0 210.0 . . . B . 2 DC P . . B . 2 DC O5' . . B . 2 DC C5' . . B . 2 DC C4' . B . 2 C P . . . B . 2 C O5' . . . B . 2 C C5' . . . B . 2 C C4' . . rr_1r2l 1
25 . . 2 2 3 3 DT P P . . 2 2 3 3 DT O5' O . . 2 2 3 3 DT C5' C . . 2 2 3 3 DT C4' C . 150.0 210.0 . . . B . 3 DT P . . B . 3 DT O5' . . B . 3 DT C5' . . B . 3 DT C4' . B . 3 T P . . . B . 3 T O5' . . . B . 3 T C5' . . . B . 3 T C4' . . rr_1r2l 1
26 . . 2 2 4 4 DA P P . . 2 2 4 4 DA O5' O . . 2 2 4 4 DA C5' C . . 2 2 4 4 DA C4' C . 150.0 210.0 . . . B . 4 DA P . . B . 4 DA O5' . . B . 4 DA C5' . . B . 4 DA C4' . B . 4 A P . . . B . 4 A O5' . . . B . 4 A C5' . . . B . 4 A C4' . . rr_1r2l 1
27 . . 2 2 5 5 DT P P . . 2 2 5 5 DT O5' O . . 2 2 5 5 DT C5' C . . 2 2 5 5 DT C4' C . 135.0 225.0 . . . B . 5 DT P . . B . 5 DT O5' . . B . 5 DT C5' . . B . 5 DT C4' . B . 5 T P . . . B . 5 T O5' . . . B . 5 T C5' . . . B . 5 T C4' . . rr_1r2l 1
28 . . 2 2 6 6 DG P P . . 2 2 6 6 DG O5' O . . 2 2 6 6 DG C5' C . . 2 2 6 6 DG C4' C . 135.0 225.0 . . . B . 6 DG P . . B . 6 DG O5' . . B . 6 DG C5' . . B . 6 DG C4' . B . 6 G P . . . B . 6 G O5' . . . B . 6 G C5' . . . B . 6 G C4' . . rr_1r2l 1
29 . . 2 2 7 7 DA P P . . 2 2 7 7 DA O5' O . . 2 2 7 7 DA C5' C . . 2 2 7 7 DA C4' C . 135.0 225.0 . . . B . 7 DA P . . B . 7 DA O5' . . B . 7 DA C5' . . B . 7 DA C4' . B . 7 A P . . . B . 7 A O5' . . . B . 7 A C5' . . . B . 7 A C4' . . rr_1r2l 1
30 . . 2 2 8 8 DA P P . . 2 2 8 8 DA O5' O . . 2 2 8 8 DA C5' C . . 2 2 8 8 DA C4' C . 150.0 210.0 . . . B . 8 DA P . . B . 8 DA O5' . . B . 8 DA C5' . . B . 8 DA C4' . B . 8 A P . . . B . 8 A O5' . . . B . 8 A C5' . . . B . 8 A C4' . . rr_1r2l 1
31 . . 2 2 9 9 DA P P . . 2 2 9 9 DA O5' O . . 2 2 9 9 DA C5' C . . 2 2 9 9 DA C4' C . 150.0 210.0 . . . B . 9 DA P . . B . 9 DA O5' . . B . 9 DA C5' . . B . 9 DA C4' . B . 9 A P . . . B . 9 A O5' . . . B . 9 A C5' . . . B . 9 A C4' . . rr_1r2l 1
32 . . 2 2 10 10 DT P P . . 2 2 10 10 DT O5' O . . 2 2 10 10 DT C5' C . . 2 2 10 10 DT C4' C . 150.0 210.0 . . . B . 10 DT P . . B . 10 DT O5' . . B . 10 DT C5' . . B . 10 DT C4' . B . 10 T P . . . B . 10 T O5' . . . B . 10 T C5' . . . B . 10 T C4' . . rr_1r2l 1
33 . . 2 2 11 11 DC P P . . 2 2 11 11 DC O5' O . . 2 2 11 11 DC C5' C . . 2 2 11 11 DC C4' C . 150.0 210.0 . . . B . 11 DC P . . B . 11 DC O5' . . B . 11 DC C5' . . B . 11 DC C4' . B . 11 C P . . . B . 11 C O5' . . . B . 11 C C5' . . . B . 11 C C4' . . rr_1r2l 1
34 . . 2 2 12 12 DC P P . . 2 2 12 12 DC O5' O . . 2 2 12 12 DC C5' C . . 2 2 12 12 DC C4' C . 150.0 210.0 . . . B . 12 DC P . . B . 12 DC O5' . . B . 12 DC C5' . . B . 12 DC C4' . B . 12 C P . . . B . 12 C O5' . . . B . 12 C C5' . . . B . 12 C C4' . . rr_1r2l 1
35 . . 1 1 1 1 DNR P P . . 1 1 1 1 DNR O5' O . . 1 1 1 1 DNR C5' C . . 1 1 1 1 DNR C4' C . 150.0 210.0 . . . A . 1 DNR P . . A . 1 DNR O5' . . A . 1 DNR C5' . . A . 1 DNR C4' . 1 . 1 C P . . . 1 . 1 C O5' . . . 1 . 1 C C5' . . . 1 . 1 C C4' . . rr_1r2l 1
36 . . 1 1 2 2 DNR P P . . 1 1 2 2 DNR O5' O . . 1 1 2 2 DNR C5' C . . 1 1 2 2 DNR C4' C . 150.0 210.0 . . . A . 2 DNR P . . A . 2 DNR O5' . . A . 2 DNR C5' . . A . 2 DNR C4' . 1 . 2 C P . . . 1 . 2 C O5' . . . 1 . 2 C C5' . . . 1 . 2 C C4' . . rr_1r2l 1
37 . . 1 1 3 3 DA P P . . 1 1 3 3 DA O5' O . . 1 1 3 3 DA C5' C . . 1 1 3 3 DA C4' C . 150.0 210.0 . . . A . 3 DA P . . A . 3 DA O5' . . A . 3 DA C5' . . A . 3 DA C4' . 1 . 3 A P . . . 1 . 3 A O5' . . . 1 . 3 A C5' . . . 1 . 3 A C4' . . rr_1r2l 1
38 . . 1 1 4 4 DT P P . . 1 1 4 4 DT O5' O . . 1 1 4 4 DT C5' C . . 1 1 4 4 DT C4' C . 150.0 210.0 . . . A . 4 DT P . . A . 4 DT O5' . . A . 4 DT C5' . . A . 4 DT C4' . 1 . 4 T P . . . 1 . 4 T O5' . . . 1 . 4 T C5' . . . 1 . 4 T C4' . . rr_1r2l 1
39 . . 1 1 5 5 DA P P . . 1 1 5 5 DA O5' O . . 1 1 5 5 DA C5' C . . 1 1 5 5 DA C4' C . 135.0 225.0 . . . A . 5 DA P . . A . 5 DA O5' . . A . 5 DA C5' . . A . 5 DA C4' . 1 . 5 A P . . . 1 . 5 A O5' . . . 1 . 5 A C5' . . . 1 . 5 A C4' . . rr_1r2l 1
40 . . 1 1 6 6 DA P P . . 1 1 6 6 DA O5' O . . 1 1 6 6 DA C5' C . . 1 1 6 6 DA C4' C . 135.0 225.0 . . . A . 6 DA P . . A . 6 DA O5' . . A . 6 DA C5' . . A . 6 DA C4' . 1 . 6 A P . . . 1 . 6 A O5' . . . 1 . 6 A C5' . . . 1 . 6 A C4' . . rr_1r2l 1
41 . . 1 1 7 7 DT P P . . 1 1 7 7 DT O5' O . . 1 1 7 7 DT C5' C . . 1 1 7 7 DT C4' C . 135.0 225.0 . . . A . 7 DT P . . A . 7 DT O5' . . A . 7 DT C5' . . A . 7 DT C4' . 1 . 7 T P . . . 1 . 7 T O5' . . . 1 . 7 T C5' . . . 1 . 7 T C4' . . rr_1r2l 1
42 . . 1 1 8 8 DT P P . . 1 1 8 8 DT O5' O . . 1 1 8 8 DT C5' C . . 1 1 8 8 DT C4' C . 150.0 210.0 . . . A . 8 DT P . . A . 8 DT O5' . . A . 8 DT C5' . . A . 8 DT C4' . 1 . 8 T P . . . 1 . 8 T O5' . . . 1 . 8 T C5' . . . 1 . 8 T C4' . . rr_1r2l 1
43 . . 1 1 9 9 DT P P . . 1 1 9 9 DT O5' O . . 1 1 9 9 DT C5' C . . 1 1 9 9 DT C4' C . 150.0 210.0 . . . A . 9 DT P . . A . 9 DT O5' . . A . 9 DT C5' . . A . 9 DT C4' . 1 . 9 T P . . . 1 . 9 T O5' . . . 1 . 9 T C5' . . . 1 . 9 T C4' . . rr_1r2l 1
44 . . 1 1 10 10 DA P P . . 1 1 10 10 DA O5' O . . 1 1 10 10 DA C5' C . . 1 1 10 10 DA C4' C . 150.0 210.0 . . . A . 10 DA P . . A . 10 DA O5' . . A . 10 DA C5' . . A . 10 DA C4' . 1 . 10 A P . . . 1 . 10 A O5' . . . 1 . 10 A C5' . . . 1 . 10 A C4' . . rr_1r2l 1
45 . . 1 1 11 11 DNR P P . . 1 1 11 11 DNR O5' O . . 1 1 11 11 DNR C5' C . . 1 1 11 11 DNR C4' C . 150.0 210.0 . . . A . 11 DNR P . . A . 11 DNR O5' . . A . 11 DNR C5' . . A . 11 DNR C4' . 1 . 11 C P . . . 1 . 11 C O5' . . . 1 . 11 C C5' . . . 1 . 11 C C4' . . rr_1r2l 1
46 . . 1 1 12 12 DNR P P . . 1 1 12 12 DNR O5' O . . 1 1 12 12 DNR C5' C . . 1 1 12 12 DNR C4' C . 150.0 210.0 . . . A . 12 DNR P . . A . 12 DNR O5' . . A . 12 DNR C5' . . A . 12 DNR C4' . 1 . 12 C P . . . 1 . 12 C O5' . . . 1 . 12 C C5' . . . 1 . 12 C C4' . . rr_1r2l 1
47 . . 2 2 1 1 DC O5' O . . 2 2 1 1 DC C5' C . . 2 2 1 1 DC C4' C . . 2 2 1 1 DC C3' C . 30.0 90.0 . . . B . 1 DC O5' . . B . 1 DC C5' . . B . 1 DC C4' . . B . 1 DC C3' . B . 1 C O5' . . . B . 1 C C5' . . . B . 1 C C4' . . . B . 1 C C3' . . rr_1r2l 1
48 . . 2 2 2 2 DC O5' O . . 2 2 2 2 DC C5' C . . 2 2 2 2 DC C4' C . . 2 2 2 2 DC C3' C . 30.0 90.0 . . . B . 2 DC O5' . . B . 2 DC C5' . . B . 2 DC C4' . . B . 2 DC C3' . B . 2 C O5' . . . B . 2 C C5' . . . B . 2 C C4' . . . B . 2 C C3' . . rr_1r2l 1
49 . . 2 2 3 3 DT O5' O . . 2 2 3 3 DT C5' C . . 2 2 3 3 DT C4' C . . 2 2 3 3 DT C3' C . 30.0 90.0 . . . B . 3 DT O5' . . B . 3 DT C5' . . B . 3 DT C4' . . B . 3 DT C3' . B . 3 T O5' . . . B . 3 T C5' . . . B . 3 T C4' . . . B . 3 T C3' . . rr_1r2l 1
50 . . 2 2 4 4 DA O5' O . . 2 2 4 4 DA C5' C . . 2 2 4 4 DA C4' C . . 2 2 4 4 DA C3' C . 30.0 90.0 . . . B . 4 DA O5' . . B . 4 DA C5' . . B . 4 DA C4' . . B . 4 DA C3' . B . 4 A O5' . . . B . 4 A C5' . . . B . 4 A C4' . . . B . 4 A C3' . . rr_1r2l 1
51 . . 2 2 5 5 DT O5' O . . 2 2 5 5 DT C5' C . . 2 2 5 5 DT C4' C . . 2 2 5 5 DT C3' C . 15.0 105.0 . . . B . 5 DT O5' . . B . 5 DT C5' . . B . 5 DT C4' . . B . 5 DT C3' . B . 5 T O5' . . . B . 5 T C5' . . . B . 5 T C4' . . . B . 5 T C3' . . rr_1r2l 1
52 . . 2 2 6 6 DG O5' O . . 2 2 6 6 DG C5' C . . 2 2 6 6 DG C4' C . . 2 2 6 6 DG C3' C . 15.0 105.0 . . . B . 6 DG O5' . . B . 6 DG C5' . . B . 6 DG C4' . . B . 6 DG C3' . B . 6 G O5' . . . B . 6 G C5' . . . B . 6 G C4' . . . B . 6 G C3' . . rr_1r2l 1
53 . . 2 2 7 7 DA O5' O . . 2 2 7 7 DA C5' C . . 2 2 7 7 DA C4' C . . 2 2 7 7 DA C3' C . 15.0 105.0 . . . B . 7 DA O5' . . B . 7 DA C5' . . B . 7 DA C4' . . B . 7 DA C3' . B . 7 A O5' . . . B . 7 A C5' . . . B . 7 A C4' . . . B . 7 A C3' . . rr_1r2l 1
54 . . 2 2 8 8 DA O5' O . . 2 2 8 8 DA C5' C . . 2 2 8 8 DA C4' C . . 2 2 8 8 DA C3' C . 30.0 90.0 . . . B . 8 DA O5' . . B . 8 DA C5' . . B . 8 DA C4' . . B . 8 DA C3' . B . 8 A O5' . . . B . 8 A C5' . . . B . 8 A C4' . . . B . 8 A C3' . . rr_1r2l 1
55 . . 2 2 9 9 DA O5' O . . 2 2 9 9 DA C5' C . . 2 2 9 9 DA C4' C . . 2 2 9 9 DA C3' C . 30.0 90.0 . . . B . 9 DA O5' . . B . 9 DA C5' . . B . 9 DA C4' . . B . 9 DA C3' . B . 9 A O5' . . . B . 9 A C5' . . . B . 9 A C4' . . . B . 9 A C3' . . rr_1r2l 1
56 . . 2 2 10 10 DT O5' O . . 2 2 10 10 DT C5' C . . 2 2 10 10 DT C4' C . . 2 2 10 10 DT C3' C . 30.0 90.0 . . . B . 10 DT O5' . . B . 10 DT C5' . . B . 10 DT C4' . . B . 10 DT C3' . B . 10 T O5' . . . B . 10 T C5' . . . B . 10 T C4' . . . B . 10 T C3' . . rr_1r2l 1
57 . . 2 2 11 11 DC O5' O . . 2 2 11 11 DC C5' C . . 2 2 11 11 DC C4' C . . 2 2 11 11 DC C3' C . 30.0 90.0 . . . B . 11 DC O5' . . B . 11 DC C5' . . B . 11 DC C4' . . B . 11 DC C3' . B . 11 C O5' . . . B . 11 C C5' . . . B . 11 C C4' . . . B . 11 C C3' . . rr_1r2l 1
58 . . 2 2 12 12 DC O5' O . . 2 2 12 12 DC C5' C . . 2 2 12 12 DC C4' C . . 2 2 12 12 DC C3' C . 30.0 90.0 . . . B . 12 DC O5' . . B . 12 DC C5' . . B . 12 DC C4' . . B . 12 DC C3' . B . 12 C O5' . . . B . 12 C C5' . . . B . 12 C C4' . . . B . 12 C C3' . . rr_1r2l 1
59 . . 1 1 1 1 DNR O5' O . . 1 1 1 1 DNR C5' C . . 1 1 1 1 DNR C4' C . . 1 1 1 1 DNR C3' C . 30.0 90.0 . . . A . 1 DNR O5' . . A . 1 DNR C5' . . A . 1 DNR C4' . . A . 1 DNR C3' . 1 . 1 C O5' . . . 1 . 1 C C5' . . . 1 . 1 C C4' . . . 1 . 1 C C3' . . rr_1r2l 1
60 . . 1 1 2 2 DNR O5' O . . 1 1 2 2 DNR C5' C . . 1 1 2 2 DNR C4' C . . 1 1 2 2 DNR C3' C . 30.0 90.0 . . . A . 2 DNR O5' . . A . 2 DNR C5' . . A . 2 DNR C4' . . A . 2 DNR C3' . 1 . 2 C O5' . . . 1 . 2 C C5' . . . 1 . 2 C C4' . . . 1 . 2 C C3' . . rr_1r2l 1
61 . . 1 1 3 3 DA O5' O . . 1 1 3 3 DA C5' C . . 1 1 3 3 DA C4' C . . 1 1 3 3 DA C3' C . 30.0 90.0 . . . A . 3 DA O5' . . A . 3 DA C5' . . A . 3 DA C4' . . A . 3 DA C3' . 1 . 3 A O5' . . . 1 . 3 A C5' . . . 1 . 3 A C4' . . . 1 . 3 A C3' . . rr_1r2l 1
62 . . 1 1 4 4 DT O5' O . . 1 1 4 4 DT C5' C . . 1 1 4 4 DT C4' C . . 1 1 4 4 DT C3' C . 30.0 90.0 . . . A . 4 DT O5' . . A . 4 DT C5' . . A . 4 DT C4' . . A . 4 DT C3' . 1 . 4 T O5' . . . 1 . 4 T C5' . . . 1 . 4 T C4' . . . 1 . 4 T C3' . . rr_1r2l 1
63 . . 1 1 5 5 DA O5' O . . 1 1 5 5 DA C5' C . . 1 1 5 5 DA C4' C . . 1 1 5 5 DA C3' C . 15.0 105.0 . . . A . 5 DA O5' . . A . 5 DA C5' . . A . 5 DA C4' . . A . 5 DA C3' . 1 . 5 A O5' . . . 1 . 5 A C5' . . . 1 . 5 A C4' . . . 1 . 5 A C3' . . rr_1r2l 1
64 . . 1 1 6 6 DA O5' O . . 1 1 6 6 DA C5' C . . 1 1 6 6 DA C4' C . . 1 1 6 6 DA C3' C . 15.0 105.0 . . . A . 6 DA O5' . . A . 6 DA C5' . . A . 6 DA C4' . . A . 6 DA C3' . 1 . 6 A O5' . . . 1 . 6 A C5' . . . 1 . 6 A C4' . . . 1 . 6 A C3' . . rr_1r2l 1
65 . . 1 1 7 7 DT O5' O . . 1 1 7 7 DT C5' C . . 1 1 7 7 DT C4' C . . 1 1 7 7 DT C3' C . 15.0 105.0 . . . A . 7 DT O5' . . A . 7 DT C5' . . A . 7 DT C4' . . A . 7 DT C3' . 1 . 7 T O5' . . . 1 . 7 T C5' . . . 1 . 7 T C4' . . . 1 . 7 T C3' . . rr_1r2l 1
66 . . 1 1 8 8 DT O5' O . . 1 1 8 8 DT C5' C . . 1 1 8 8 DT C4' C . . 1 1 8 8 DT C3' C . 30.0 90.0 . . . A . 8 DT O5' . . A . 8 DT C5' . . A . 8 DT C4' . . A . 8 DT C3' . 1 . 8 T O5' . . . 1 . 8 T C5' . . . 1 . 8 T C4' . . . 1 . 8 T C3' . . rr_1r2l 1
67 . . 1 1 9 9 DT O5' O . . 1 1 9 9 DT C5' C . . 1 1 9 9 DT C4' C . . 1 1 9 9 DT C3' C . 30.0 90.0 . . . A . 9 DT O5' . . A . 9 DT C5' . . A . 9 DT C4' . . A . 9 DT C3' . 1 . 9 T O5' . . . 1 . 9 T C5' . . . 1 . 9 T C4' . . . 1 . 9 T C3' . . rr_1r2l 1
68 . . 1 1 10 10 DA O5' O . . 1 1 10 10 DA C5' C . . 1 1 10 10 DA C4' C . . 1 1 10 10 DA C3' C . 30.0 90.0 . . . A . 10 DA O5' . . A . 10 DA C5' . . A . 10 DA C4' . . A . 10 DA C3' . 1 . 10 A O5' . . . 1 . 10 A C5' . . . 1 . 10 A C4' . . . 1 . 10 A C3' . . rr_1r2l 1
69 . . 1 1 11 11 DNR O5' O . . 1 1 11 11 DNR C5' C . . 1 1 11 11 DNR C4' C . . 1 1 11 11 DNR C3' C . 30.0 90.0 . . . A . 11 DNR O5' . . A . 11 DNR C5' . . A . 11 DNR C4' . . A . 11 DNR C3' . 1 . 11 C O5' . . . 1 . 11 C C5' . . . 1 . 11 C C4' . . . 1 . 11 C C3' . . rr_1r2l 1
70 . . 1 1 12 12 DNR O5' O . . 1 1 12 12 DNR C5' C . . 1 1 12 12 DNR C4' C . . 1 1 12 12 DNR C3' C . 30.0 90.0 . . . A . 12 DNR O5' . . A . 12 DNR C5' . . A . 12 DNR C4' . . A . 12 DNR C3' . 1 . 12 C O5' . . . 1 . 12 C C5' . . . 1 . 12 C C4' . . . 1 . 12 C C3' . . rr_1r2l 1
71 . . 2 2 1 1 DC C5' C . . 2 2 1 1 DC C4' C . . 2 2 1 1 DC C3' C . . 2 2 1 1 DC O3' O . 130.0 160.0 . . . B . 1 DC C5' . . B . 1 DC C4' . . B . 1 DC C3' . . B . 1 DC O3' . B . 1 C C5' . . . B . 1 C C4' . . . B . 1 C C3' . . . B . 1 C O3' . . rr_1r2l 1
72 . . 2 2 2 2 DC C5' C . . 2 2 2 2 DC C4' C . . 2 2 2 2 DC C3' C . . 2 2 2 2 DC O3' O . 130.0 160.0 . . . B . 2 DC C5' . . B . 2 DC C4' . . B . 2 DC C3' . . B . 2 DC O3' . B . 2 C C5' . . . B . 2 C C4' . . . B . 2 C C3' . . . B . 2 C O3' . . rr_1r2l 1
73 . . 2 2 3 3 DT C5' C . . 2 2 3 3 DT C4' C . . 2 2 3 3 DT C3' C . . 2 2 3 3 DT O3' O . 130.0 160.0 . . . B . 3 DT C5' . . B . 3 DT C4' . . B . 3 DT C3' . . B . 3 DT O3' . B . 3 T C5' . . . B . 3 T C4' . . . B . 3 T C3' . . . B . 3 T O3' . . rr_1r2l 1
74 . . 2 2 4 4 DA C5' C . . 2 2 4 4 DA C4' C . . 2 2 4 4 DA C3' C . . 2 2 4 4 DA O3' O . 130.0 160.0 . . . B . 4 DA C5' . . B . 4 DA C4' . . B . 4 DA C3' . . B . 4 DA O3' . B . 4 A C5' . . . B . 4 A C4' . . . B . 4 A C3' . . . B . 4 A O3' . . rr_1r2l 1
75 . . 2 2 5 5 DT C5' C . . 2 2 5 5 DT C4' C . . 2 2 5 5 DT C3' C . . 2 2 5 5 DT O3' O . 115.0 175.0 . . . B . 5 DT C5' . . B . 5 DT C4' . . B . 5 DT C3' . . B . 5 DT O3' . B . 5 T C5' . . . B . 5 T C4' . . . B . 5 T C3' . . . B . 5 T O3' . . rr_1r2l 1
76 . . 2 2 6 6 DG C5' C . . 2 2 6 6 DG C4' C . . 2 2 6 6 DG C3' C . . 2 2 6 6 DG O3' O . 115.0 175.0 . . . B . 6 DG C5' . . B . 6 DG C4' . . B . 6 DG C3' . . B . 6 DG O3' . B . 6 G C5' . . . B . 6 G C4' . . . B . 6 G C3' . . . B . 6 G O3' . . rr_1r2l 1
77 . . 2 2 7 7 DA C5' C . . 2 2 7 7 DA C4' C . . 2 2 7 7 DA C3' C . . 2 2 7 7 DA O3' O . 115.0 175.0 . . . B . 7 DA C5' . . B . 7 DA C4' . . B . 7 DA C3' . . B . 7 DA O3' . B . 7 A C5' . . . B . 7 A C4' . . . B . 7 A C3' . . . B . 7 A O3' . . rr_1r2l 1
78 . . 2 2 8 8 DA C5' C . . 2 2 8 8 DA C4' C . . 2 2 8 8 DA C3' C . . 2 2 8 8 DA O3' O . 130.0 160.0 . . . B . 8 DA C5' . . B . 8 DA C4' . . B . 8 DA C3' . . B . 8 DA O3' . B . 8 A C5' . . . B . 8 A C4' . . . B . 8 A C3' . . . B . 8 A O3' . . rr_1r2l 1
79 . . 2 2 9 9 DA C5' C . . 2 2 9 9 DA C4' C . . 2 2 9 9 DA C3' C . . 2 2 9 9 DA O3' O . 130.0 160.0 . . . B . 9 DA C5' . . B . 9 DA C4' . . B . 9 DA C3' . . B . 9 DA O3' . B . 9 A C5' . . . B . 9 A C4' . . . B . 9 A C3' . . . B . 9 A O3' . . rr_1r2l 1
80 . . 2 2 10 10 DT C5' C . . 2 2 10 10 DT C4' C . . 2 2 10 10 DT C3' C . . 2 2 10 10 DT O3' O . 130.0 160.0 . . . B . 10 DT C5' . . B . 10 DT C4' . . B . 10 DT C3' . . B . 10 DT O3' . B . 10 T C5' . . . B . 10 T C4' . . . B . 10 T C3' . . . B . 10 T O3' . . rr_1r2l 1
81 . . 2 2 11 11 DC C5' C . . 2 2 11 11 DC C4' C . . 2 2 11 11 DC C3' C . . 2 2 11 11 DC O3' O . 130.0 160.0 . . . B . 11 DC C5' . . B . 11 DC C4' . . B . 11 DC C3' . . B . 11 DC O3' . B . 11 C C5' . . . B . 11 C C4' . . . B . 11 C C3' . . . B . 11 C O3' . . rr_1r2l 1
82 . . 2 2 12 12 DC C5' C . . 2 2 12 12 DC C4' C . . 2 2 12 12 DC C3' C . . 2 2 12 12 DC O3' O . 130.0 160.0 . . . B . 12 DC C5' . . B . 12 DC C4' . . B . 12 DC C3' . . B . 12 DC O3' . B . 12 C C5' . . . B . 12 C C4' . . . B . 12 C C3' . . . B . 12 C O3' . . rr_1r2l 1
83 . . 1 1 1 1 DNR C5' C . . 1 1 1 1 DNR C4' C . . 1 1 1 1 DNR C3' C . . 1 1 1 1 DNR O3' O . 130.0 160.0 . . . A . 1 DNR C5' . . A . 1 DNR C4' . . A . 1 DNR C3' . . A . 1 DNR O3' . 1 . 1 C C5' . . . 1 . 1 C C4' . . . 1 . 1 C C3' . . . 1 . 1 C O3' . . rr_1r2l 1
84 . . 1 1 2 2 DNR C5' C . . 1 1 2 2 DNR C4' C . . 1 1 2 2 DNR C3' C . . 1 1 2 2 DNR O3' O . 130.0 160.0 . . . A . 2 DNR C5' . . A . 2 DNR C4' . . A . 2 DNR C3' . . A . 2 DNR O3' . 1 . 2 C C5' . . . 1 . 2 C C4' . . . 1 . 2 C C3' . . . 1 . 2 C O3' . . rr_1r2l 1
85 . . 1 1 3 3 DA C5' C . . 1 1 3 3 DA C4' C . . 1 1 3 3 DA C3' C . . 1 1 3 3 DA O3' O . 130.0 160.0 . . . A . 3 DA C5' . . A . 3 DA C4' . . A . 3 DA C3' . . A . 3 DA O3' . 1 . 3 A C5' . . . 1 . 3 A C4' . . . 1 . 3 A C3' . . . 1 . 3 A O3' . . rr_1r2l 1
86 . . 1 1 4 4 DT C5' C . . 1 1 4 4 DT C4' C . . 1 1 4 4 DT C3' C . . 1 1 4 4 DT O3' O . 130.0 160.0 . . . A . 4 DT C5' . . A . 4 DT C4' . . A . 4 DT C3' . . A . 4 DT O3' . 1 . 4 T C5' . . . 1 . 4 T C4' . . . 1 . 4 T C3' . . . 1 . 4 T O3' . . rr_1r2l 1
87 . . 1 1 5 5 DA C5' C . . 1 1 5 5 DA C4' C . . 1 1 5 5 DA C3' C . . 1 1 5 5 DA O3' O . 115.0 175.0 . . . A . 5 DA C5' . . A . 5 DA C4' . . A . 5 DA C3' . . A . 5 DA O3' . 1 . 5 A C5' . . . 1 . 5 A C4' . . . 1 . 5 A C3' . . . 1 . 5 A O3' . . rr_1r2l 1
88 . . 1 1 6 6 DA C5' C . . 1 1 6 6 DA C4' C . . 1 1 6 6 DA C3' C . . 1 1 6 6 DA O3' O . 115.0 175.0 . . . A . 6 DA C5' . . A . 6 DA C4' . . A . 6 DA C3' . . A . 6 DA O3' . 1 . 6 A C5' . . . 1 . 6 A C4' . . . 1 . 6 A C3' . . . 1 . 6 A O3' . . rr_1r2l 1
89 . . 1 1 7 7 DT C5' C . . 1 1 7 7 DT C4' C . . 1 1 7 7 DT C3' C . . 1 1 7 7 DT O3' O . 115.0 175.0 . . . A . 7 DT C5' . . A . 7 DT C4' . . A . 7 DT C3' . . A . 7 DT O3' . 1 . 7 T C5' . . . 1 . 7 T C4' . . . 1 . 7 T C3' . . . 1 . 7 T O3' . . rr_1r2l 1
90 . . 1 1 8 8 DT C5' C . . 1 1 8 8 DT C4' C . . 1 1 8 8 DT C3' C . . 1 1 8 8 DT O3' O . 130.0 160.0 . . . A . 8 DT C5' . . A . 8 DT C4' . . A . 8 DT C3' . . A . 8 DT O3' . 1 . 8 T C5' . . . 1 . 8 T C4' . . . 1 . 8 T C3' . . . 1 . 8 T O3' . . rr_1r2l 1
91 . . 1 1 9 9 DT C5' C . . 1 1 9 9 DT C4' C . . 1 1 9 9 DT C3' C . . 1 1 9 9 DT O3' O . 130.0 160.0 . . . A . 9 DT C5' . . A . 9 DT C4' . . A . 9 DT C3' . . A . 9 DT O3' . 1 . 9 T C5' . . . 1 . 9 T C4' . . . 1 . 9 T C3' . . . 1 . 9 T O3' . . rr_1r2l 1
92 . . 1 1 10 10 DA C5' C . . 1 1 10 10 DA C4' C . . 1 1 10 10 DA C3' C . . 1 1 10 10 DA O3' O . 130.0 160.0 . . . A . 10 DA C5' . . A . 10 DA C4' . . A . 10 DA C3' . . A . 10 DA O3' . 1 . 10 A C5' . . . 1 . 10 A C4' . . . 1 . 10 A C3' . . . 1 . 10 A O3' . . rr_1r2l 1
93 . . 1 1 11 11 DNR C5' C . . 1 1 11 11 DNR C4' C . . 1 1 11 11 DNR C3' C . . 1 1 11 11 DNR O3' O . 130.0 160.0 . . . A . 11 DNR C5' . . A . 11 DNR C4' . . A . 11 DNR C3' . . A . 11 DNR O3' . 1 . 11 C C5' . . . 1 . 11 C C4' . . . 1 . 11 C C3' . . . 1 . 11 C O3' . . rr_1r2l 1
94 . . 1 1 12 12 DNR C5' C . . 1 1 12 12 DNR C4' C . . 1 1 12 12 DNR C3' C . . 1 1 12 12 DNR O3' O . 130.0 160.0 . . . A . 12 DNR C5' . . A . 12 DNR C4' . . A . 12 DNR C3' . . A . 12 DNR O3' . 1 . 12 C C5' . . . 1 . 12 C C4' . . . 1 . 12 C C3' . . . 1 . 12 C O3' . . rr_1r2l 1
95 . . 2 2 1 1 DC C4' C . . 2 2 1 1 DC C3' C . . 2 2 1 1 DC O3' O . . 2 2 2 2 DC P P . 180.0 240.0 . . . B . 1 DC C4' . . B . 1 DC C3' . . B . 1 DC O3' . . B . 2 DC P . B . 1 C C4' . . . B . 1 C C3' . . . B . 1 C O3' . . . B . 2 C P . . rr_1r2l 1
96 . . 2 2 2 2 DC C4' C . . 2 2 2 2 DC C3' C . . 2 2 2 2 DC O3' O . . 2 2 3 3 DT P P . 180.0 240.0 . . . B . 2 DC C4' . . B . 2 DC C3' . . B . 2 DC O3' . . B . 3 DT P . B . 2 C C4' . . . B . 2 C C3' . . . B . 2 C O3' . . . B . 3 T P . . rr_1r2l 1
97 . . 2 2 3 3 DT C4' C . . 2 2 3 3 DT C3' C . . 2 2 3 3 DT O3' O . . 2 2 4 4 DA P P . 180.0 240.0 . . . B . 3 DT C4' . . B . 3 DT C3' . . B . 3 DT O3' . . B . 4 DA P . B . 3 T C4' . . . B . 3 T C3' . . . B . 3 T O3' . . . B . 4 A P . . rr_1r2l 1
98 . . 2 2 4 4 DA C4' C . . 2 2 4 4 DA C3' C . . 2 2 4 4 DA O3' O . . 2 2 5 5 DT P P . 165.0 255.0 . . . B . 4 DA C4' . . B . 4 DA C3' . . B . 4 DA O3' . . B . 5 DT P . B . 4 A C4' . . . B . 4 A C3' . . . B . 4 A O3' . . . B . 5 T P . . rr_1r2l 1
99 . . 2 2 5 5 DT C4' C . . 2 2 5 5 DT C3' C . . 2 2 5 5 DT O3' O . . 2 2 6 6 DG P P . 165.0 255.0 . . . B . 5 DT C4' . . B . 5 DT C3' . . B . 5 DT O3' . . B . 6 DG P . B . 5 T C4' . . . B . 5 T C3' . . . B . 5 T O3' . . . B . 6 G P . . rr_1r2l 1
100 . . 2 2 6 6 DG C4' C . . 2 2 6 6 DG C3' C . . 2 2 6 6 DG O3' O . . 2 2 7 7 DA P P . 165.0 255.0 . . . B . 6 DG C4' . . B . 6 DG C3' . . B . 6 DG O3' . . B . 7 DA P . B . 6 G C4' . . . B . 6 G C3' . . . B . 6 G O3' . . . B . 7 A P . . rr_1r2l 1
101 . . 2 2 7 7 DA C4' C . . 2 2 7 7 DA C3' C . . 2 2 7 7 DA O3' O . . 2 2 8 8 DA P P . 180.0 240.0 . . . B . 7 DA C4' . . B . 7 DA C3' . . B . 7 DA O3' . . B . 8 DA P . B . 7 A C4' . . . B . 7 A C3' . . . B . 7 A O3' . . . B . 8 A P . . rr_1r2l 1
102 . . 2 2 8 8 DA C4' C . . 2 2 8 8 DA C3' C . . 2 2 8 8 DA O3' O . . 2 2 9 9 DA P P . 180.0 240.0 . . . B . 8 DA C4' . . B . 8 DA C3' . . B . 8 DA O3' . . B . 9 DA P . B . 8 A C4' . . . B . 8 A C3' . . . B . 8 A O3' . . . B . 9 A P . . rr_1r2l 1
103 . . 2 2 9 9 DA C4' C . . 2 2 9 9 DA C3' C . . 2 2 9 9 DA O3' O . . 2 2 10 10 DT P P . 180.0 240.0 . . . B . 9 DA C4' . . B . 9 DA C3' . . B . 9 DA O3' . . B . 10 DT P . B . 9 A C4' . . . B . 9 A C3' . . . B . 9 A O3' . . . B . 10 T P . . rr_1r2l 1
104 . . 2 2 10 10 DT C4' C . . 2 2 10 10 DT C3' C . . 2 2 10 10 DT O3' O . . 2 2 11 11 DC P P . 180.0 240.0 . . . B . 10 DT C4' . . B . 10 DT C3' . . B . 10 DT O3' . . B . 11 DC P . B . 10 T C4' . . . B . 10 T C3' . . . B . 10 T O3' . . . B . 11 C P . . rr_1r2l 1
105 . . 2 2 11 11 DC C4' C . . 2 2 11 11 DC C3' C . . 2 2 11 11 DC O3' O . . 2 2 12 12 DC P P . 180.0 240.0 . . . B . 11 DC C4' . . B . 11 DC C3' . . B . 11 DC O3' . . B . 12 DC P . B . 11 C C4' . . . B . 11 C C3' . . . B . 11 C O3' . . . B . 12 C P . . rr_1r2l 1
106 . . 1 1 1 1 DNR C4' C . . 1 1 1 1 DNR C3' C . . 1 1 1 1 DNR O3' O . . 1 1 2 2 DNR P P . 180.0 240.0 . . . A . 1 DNR C4' . . A . 1 DNR C3' . . A . 1 DNR O3' . . A . 2 DNR P . 1 . 1 C C4' . . . 1 . 1 C C3' . . . 1 . 1 C O3' . . . 1 . 2 C P . . rr_1r2l 1
107 . . 1 1 2 2 DNR C4' C . . 1 1 2 2 DNR C3' C . . 1 1 2 2 DNR O3' O . . 1 1 3 3 DA P P . 180.0 240.0 . . . A . 2 DNR C4' . . A . 2 DNR C3' . . A . 2 DNR O3' . . A . 3 DA P . 1 . 2 C C4' . . . 1 . 2 C C3' . . . 1 . 2 C O3' . . . 1 . 3 A P . . rr_1r2l 1
108 . . 1 1 3 3 DA C4' C . . 1 1 3 3 DA C3' C . . 1 1 3 3 DA O3' O . . 1 1 4 4 DT P P . 180.0 240.0 . . . A . 3 DA C4' . . A . 3 DA C3' . . A . 3 DA O3' . . A . 4 DT P . 1 . 3 A C4' . . . 1 . 3 A C3' . . . 1 . 3 A O3' . . . 1 . 4 T P . . rr_1r2l 1
109 . . 1 1 4 4 DT C4' C . . 1 1 4 4 DT C3' C . . 1 1 4 4 DT O3' O . . 1 1 5 5 DA P P . 165.0 255.0 . . . A . 4 DT C4' . . A . 4 DT C3' . . A . 4 DT O3' . . A . 5 DA P . 1 . 4 T C4' . . . 1 . 4 T C3' . . . 1 . 4 T O3' . . . 1 . 5 A P . . rr_1r2l 1
110 . . 1 1 5 5 DA C4' C . . 1 1 5 5 DA C3' C . . 1 1 5 5 DA O3' O . . 1 1 6 6 DA P P . 165.0 255.0 . . . A . 5 DA C4' . . A . 5 DA C3' . . A . 5 DA O3' . . A . 6 DA P . 1 . 5 A C4' . . . 1 . 5 A C3' . . . 1 . 5 A O3' . . . 1 . 6 A P . . rr_1r2l 1
111 . . 1 1 6 6 DA C4' C . . 1 1 6 6 DA C3' C . . 1 1 6 6 DA O3' O . . 1 1 7 7 DT P P . 165.0 255.0 . . . A . 6 DA C4' . . A . 6 DA C3' . . A . 6 DA O3' . . A . 7 DT P . 1 . 6 A C4' . . . 1 . 6 A C3' . . . 1 . 6 A O3' . . . 1 . 7 T P . . rr_1r2l 1
112 . . 1 1 7 7 DT C4' C . . 1 1 7 7 DT C3' C . . 1 1 7 7 DT O3' O . . 1 1 8 8 DT P P . 180.0 240.0 . . . A . 7 DT C4' . . A . 7 DT C3' . . A . 7 DT O3' . . A . 8 DT P . 1 . 7 T C4' . . . 1 . 7 T C3' . . . 1 . 7 T O3' . . . 1 . 8 T P . . rr_1r2l 1
113 . . 1 1 8 8 DT C4' C . . 1 1 8 8 DT C3' C . . 1 1 8 8 DT O3' O . . 1 1 9 9 DT P P . 180.0 240.0 . . . A . 8 DT C4' . . A . 8 DT C3' . . A . 8 DT O3' . . A . 9 DT P . 1 . 8 T C4' . . . 1 . 8 T C3' . . . 1 . 8 T O3' . . . 1 . 9 T P . . rr_1r2l 1
114 . . 1 1 9 9 DT C4' C . . 1 1 9 9 DT C3' C . . 1 1 9 9 DT O3' O . . 1 1 10 10 DA P P . 180.0 240.0 . . . A . 9 DT C4' . . A . 9 DT C3' . . A . 9 DT O3' . . A . 10 DA P . 1 . 9 T C4' . . . 1 . 9 T C3' . . . 1 . 9 T O3' . . . 1 . 10 A P . . rr_1r2l 1
115 . . 1 1 10 10 DA C4' C . . 1 1 10 10 DA C3' C . . 1 1 10 10 DA O3' O . . 1 1 11 11 DNR P P . 180.0 240.0 . . . A . 10 DA C4' . . A . 10 DA C3' . . A . 10 DA O3' . . A . 11 DNR P . 1 . 10 A C4' . . . 1 . 10 A C3' . . . 1 . 10 A O3' . . . 1 . 11 C P . . rr_1r2l 1
116 . . 1 1 11 11 DNR C4' C . . 1 1 11 11 DNR C3' C . . 1 1 11 11 DNR O3' O . . 1 1 12 12 DNR P P . 180.0 240.0 . . . A . 11 DNR C4' . . A . 11 DNR C3' . . A . 11 DNR O3' . . A . 12 DNR P . 1 . 11 C C4' . . . 1 . 11 C C3' . . . 1 . 11 C O3' . . . 1 . 12 C P . . rr_1r2l 1
117 . . 2 2 1 1 DC C3' C . . 2 2 1 1 DC O3' O . . 2 2 2 2 DC P P . . 2 2 2 2 DC O5' O . 260.0 310.0 . . . B . 1 DC C3' . . B . 1 DC O3' . . B . 2 DC P . . B . 2 DC O5' . B . 1 C C3' . . . B . 1 C O3' . . . B . 2 C P . . . B . 2 C O5' . . rr_1r2l 1
118 . . 2 2 2 2 DC C3' C . . 2 2 2 2 DC O3' O . . 2 2 3 3 DT P P . . 2 2 3 3 DT O5' O . 260.0 310.0 . . . B . 2 DC C3' . . B . 2 DC O3' . . B . 3 DT P . . B . 3 DT O5' . B . 2 C C3' . . . B . 2 C O3' . . . B . 3 T P . . . B . 3 T O5' . . rr_1r2l 1
119 . . 2 2 3 3 DT C3' C . . 2 2 3 3 DT O3' O . . 2 2 4 4 DA P P . . 2 2 4 4 DA O5' O . 260.0 310.0 . . . B . 3 DT C3' . . B . 3 DT O3' . . B . 4 DA P . . B . 4 DA O5' . B . 3 T C3' . . . B . 3 T O3' . . . B . 4 A P . . . B . 4 A O5' . . rr_1r2l 1
120 . . 2 2 4 4 DA C3' C . . 2 2 4 4 DA O3' O . . 2 2 5 5 DT P P . . 2 2 5 5 DT O5' O . 245.0 325.0 . . . B . 4 DA C3' . . B . 4 DA O3' . . B . 5 DT P . . B . 5 DT O5' . B . 4 A C3' . . . B . 4 A O3' . . . B . 5 T P . . . B . 5 T O5' . . rr_1r2l 1
121 . . 2 2 5 5 DT C3' C . . 2 2 5 5 DT O3' O . . 2 2 6 6 DG P P . . 2 2 6 6 DG O5' O . 245.0 325.0 . . . B . 5 DT C3' . . B . 5 DT O3' . . B . 6 DG P . . B . 6 DG O5' . B . 5 T C3' . . . B . 5 T O3' . . . B . 6 G P . . . B . 6 G O5' . . rr_1r2l 1
122 . . 2 2 6 6 DG C3' C . . 2 2 6 6 DG O3' O . . 2 2 7 7 DA P P . . 2 2 7 7 DA O5' O . 245.0 325.0 . . . B . 6 DG C3' . . B . 6 DG O3' . . B . 7 DA P . . B . 7 DA O5' . B . 6 G C3' . . . B . 6 G O3' . . . B . 7 A P . . . B . 7 A O5' . . rr_1r2l 1
123 . . 2 2 7 7 DA C3' C . . 2 2 7 7 DA O3' O . . 2 2 8 8 DA P P . . 2 2 8 8 DA O5' O . 260.0 310.0 . . . B . 7 DA C3' . . B . 7 DA O3' . . B . 8 DA P . . B . 8 DA O5' . B . 7 A C3' . . . B . 7 A O3' . . . B . 8 A P . . . B . 8 A O5' . . rr_1r2l 1
124 . . 2 2 8 8 DA C3' C . . 2 2 8 8 DA O3' O . . 2 2 9 9 DA P P . . 2 2 9 9 DA O5' O . 260.0 310.0 . . . B . 8 DA C3' . . B . 8 DA O3' . . B . 9 DA P . . B . 9 DA O5' . B . 8 A C3' . . . B . 8 A O3' . . . B . 9 A P . . . B . 9 A O5' . . rr_1r2l 1
125 . . 2 2 9 9 DA C3' C . . 2 2 9 9 DA O3' O . . 2 2 10 10 DT P P . . 2 2 10 10 DT O5' O . 260.0 310.0 . . . B . 9 DA C3' . . B . 9 DA O3' . . B . 10 DT P . . B . 10 DT O5' . B . 9 A C3' . . . B . 9 A O3' . . . B . 10 T P . . . B . 10 T O5' . . rr_1r2l 1
126 . . 2 2 10 10 DT C3' C . . 2 2 10 10 DT O3' O . . 2 2 11 11 DC P P . . 2 2 11 11 DC O5' O . 260.0 310.0 . . . B . 10 DT C3' . . B . 10 DT O3' . . B . 11 DC P . . B . 11 DC O5' . B . 10 T C3' . . . B . 10 T O3' . . . B . 11 C P . . . B . 11 C O5' . . rr_1r2l 1
127 . . 2 2 11 11 DC C3' C . . 2 2 11 11 DC O3' O . . 2 2 12 12 DC P P . . 2 2 12 12 DC O5' O . 260.0 310.0 . . . B . 11 DC C3' . . B . 11 DC O3' . . B . 12 DC P . . B . 12 DC O5' . B . 11 C C3' . . . B . 11 C O3' . . . B . 12 C P . . . B . 12 C O5' . . rr_1r2l 1
128 . . 1 1 1 1 DNR C3' C . . 1 1 1 1 DNR O3' O . . 1 1 2 2 DNR P P . . 1 1 2 2 DNR O5' O . 260.0 310.0 . . . A . 1 DNR C3' . . A . 1 DNR O3' . . A . 2 DNR P . . A . 2 DNR O5' . 1 . 1 C C3' . . . 1 . 1 C O3' . . . 1 . 2 C P . . . 1 . 2 C O5' . . rr_1r2l 1
129 . . 1 1 2 2 DNR C3' C . . 1 1 2 2 DNR O3' O . . 1 1 3 3 DA P P . . 1 1 3 3 DA O5' O . 260.0 310.0 . . . A . 2 DNR C3' . . A . 2 DNR O3' . . A . 3 DA P . . A . 3 DA O5' . 1 . 2 C C3' . . . 1 . 2 C O3' . . . 1 . 3 A P . . . 1 . 3 A O5' . . rr_1r2l 1
130 . . 1 1 3 3 DA C3' C . . 1 1 3 3 DA O3' O . . 1 1 4 4 DT P P . . 1 1 4 4 DT O5' O . 260.0 310.0 . . . A . 3 DA C3' . . A . 3 DA O3' . . A . 4 DT P . . A . 4 DT O5' . 1 . 3 A C3' . . . 1 . 3 A O3' . . . 1 . 4 T P . . . 1 . 4 T O5' . . rr_1r2l 1
131 . . 1 1 4 4 DT C3' C . . 1 1 4 4 DT O3' O . . 1 1 5 5 DA P P . . 1 1 5 5 DA O5' O . 245.0 325.0 . . . A . 4 DT C3' . . A . 4 DT O3' . . A . 5 DA P . . A . 5 DA O5' . 1 . 4 T C3' . . . 1 . 4 T O3' . . . 1 . 5 A P . . . 1 . 5 A O5' . . rr_1r2l 1
132 . . 1 1 5 5 DA C3' C . . 1 1 5 5 DA O3' O . . 1 1 6 6 DA P P . . 1 1 6 6 DA O5' O . 245.0 325.0 . . . A . 5 DA C3' . . A . 5 DA O3' . . A . 6 DA P . . A . 6 DA O5' . 1 . 5 A C3' . . . 1 . 5 A O3' . . . 1 . 6 A P . . . 1 . 6 A O5' . . rr_1r2l 1
133 . . 1 1 6 6 DA C3' C . . 1 1 6 6 DA O3' O . . 1 1 7 7 DT P P . . 1 1 7 7 DT O5' O . 245.0 325.0 . . . A . 6 DA C3' . . A . 6 DA O3' . . A . 7 DT P . . A . 7 DT O5' . 1 . 6 A C3' . . . 1 . 6 A O3' . . . 1 . 7 T P . . . 1 . 7 T O5' . . rr_1r2l 1
134 . . 1 1 7 7 DT C3' C . . 1 1 7 7 DT O3' O . . 1 1 8 8 DT P P . . 1 1 8 8 DT O5' O . 260.0 310.0 . . . A . 7 DT C3' . . A . 7 DT O3' . . A . 8 DT P . . A . 8 DT O5' . 1 . 7 T C3' . . . 1 . 7 T O3' . . . 1 . 8 T P . . . 1 . 8 T O5' . . rr_1r2l 1
135 . . 1 1 8 8 DT C3' C . . 1 1 8 8 DT O3' O . . 1 1 9 9 DT P P . . 1 1 9 9 DT O5' O . 260.0 310.0 . . . A . 8 DT C3' . . A . 8 DT O3' . . A . 9 DT P . . A . 9 DT O5' . 1 . 8 T C3' . . . 1 . 8 T O3' . . . 1 . 9 T P . . . 1 . 9 T O5' . . rr_1r2l 1
136 . . 1 1 9 9 DT C3' C . . 1 1 9 9 DT O3' O . . 1 1 10 10 DA P P . . 1 1 10 10 DA O5' O . 260.0 310.0 . . . A . 9 DT C3' . . A . 9 DT O3' . . A . 10 DA P . . A . 10 DA O5' . 1 . 9 T C3' . . . 1 . 9 T O3' . . . 1 . 10 A P . . . 1 . 10 A O5' . . rr_1r2l 1
137 . . 1 1 10 10 DA C3' C . . 1 1 10 10 DA O3' O . . 1 1 11 11 DNR P P . . 1 1 11 11 DNR O5' O . 260.0 310.0 . . . A . 10 DA C3' . . A . 10 DA O3' . . A . 11 DNR P . . A . 11 DNR O5' . 1 . 10 A C3' . . . 1 . 10 A O3' . . . 1 . 11 C P . . . 1 . 11 C O5' . . rr_1r2l 1
138 . . 1 1 11 11 DNR C3' C . . 1 1 11 11 DNR O3' O . . 1 1 12 12 DNR P P . . 1 1 12 12 DNR O5' O . 260.0 310.0 . . . A . 11 DNR C3' . . A . 11 DNR O3' . . A . 12 DNR P . . A . 12 DNR O5' . 1 . 11 C C3' . . . 1 . 11 C O3' . . . 1 . 12 C P . . . 1 . 12 C O5' . . rr_1r2l 1
139 . . 2 2 1 1 DC O4' O . . 2 2 1 1 DC C1' C . . 2 2 1 1 DC N1 N . . 2 2 1 1 DC C6 C . 40.0 80.0 . . . B . 1 DC O4' . . B . 1 DC C1' . . B . 1 DC N1 . . B . 1 DC C6 . B . 1 C O4' . . . B . 1 C C1' . . . B . 1 C N1 . . . B . 1 C C6 . . rr_1r2l 1
140 . . 2 2 2 2 DC O4' O . . 2 2 2 2 DC C1' C . . 2 2 2 2 DC N1 N . . 2 2 2 2 DC C6 C . 40.0 80.0 . . . B . 2 DC O4' . . B . 2 DC C1' . . B . 2 DC N1 . . B . 2 DC C6 . B . 2 C O4' . . . B . 2 C C1' . . . B . 2 C N1 . . . B . 2 C C6 . . rr_1r2l 1
141 . . 2 2 3 3 DT O4' O . . 2 2 3 3 DT C1' C . . 2 2 3 3 DT N1 N . . 2 2 3 3 DT C6 C . 40.0 80.0 . . . B . 3 DT O4' . . B . 3 DT C1' . . B . 3 DT N1 . . B . 3 DT C6 . B . 3 T O4' . . . B . 3 T C1' . . . B . 3 T N1 . . . B . 3 T C6 . . rr_1r2l 1
142 . . 2 2 4 4 DA O4' O . . 2 2 4 4 DA C1' C . . 2 2 4 4 DA N9 N . . 2 2 4 4 DA C8 C . 40.0 80.0 . . . B . 4 DA O4' . . B . 4 DA C1' . . B . 4 DA N9 . . B . 4 DA C8 . B . 4 A O4' . . . B . 4 A C1' . . . B . 4 A N9 . . . B . 4 A C8 . . rr_1r2l 1
143 . . 2 2 5 5 DT O4' O . . 2 2 5 5 DT C1' C . . 2 2 5 5 DT N1 N . . 2 2 5 5 DT C6 C . 25.0 95.0 . . . B . 5 DT O4' . . B . 5 DT C1' . . B . 5 DT N1 . . B . 5 DT C6 . B . 5 T O4' . . . B . 5 T C1' . . . B . 5 T N1 . . . B . 5 T C6 . . rr_1r2l 1
144 . . 2 2 6 6 DG O4' O . . 2 2 6 6 DG C1' C . . 2 2 6 6 DG N9 N . . 2 2 6 6 DG C8 C . 25.0 95.0 . . . B . 6 DG O4' . . B . 6 DG C1' . . B . 6 DG N9 . . B . 6 DG C8 . B . 6 G O4' . . . B . 6 G C1' . . . B . 6 G N9 . . . B . 6 G C8 . . rr_1r2l 1
145 . . 2 2 7 7 DA O4' O . . 2 2 7 7 DA C1' C . . 2 2 7 7 DA N9 N . . 2 2 7 7 DA C8 C . 25.0 95.0 . . . B . 7 DA O4' . . B . 7 DA C1' . . B . 7 DA N9 . . B . 7 DA C8 . B . 7 A O4' . . . B . 7 A C1' . . . B . 7 A N9 . . . B . 7 A C8 . . rr_1r2l 1
146 . . 2 2 8 8 DA O4' O . . 2 2 8 8 DA C1' C . . 2 2 8 8 DA N9 N . . 2 2 8 8 DA C8 C . 40.0 80.0 . . . B . 8 DA O4' . . B . 8 DA C1' . . B . 8 DA N9 . . B . 8 DA C8 . B . 8 A O4' . . . B . 8 A C1' . . . B . 8 A N9 . . . B . 8 A C8 . . rr_1r2l 1
147 . . 2 2 9 9 DA O4' O . . 2 2 9 9 DA C1' C . . 2 2 9 9 DA N9 N . . 2 2 9 9 DA C8 C . 40.0 80.0 . . . B . 9 DA O4' . . B . 9 DA C1' . . B . 9 DA N9 . . B . 9 DA C8 . B . 9 A O4' . . . B . 9 A C1' . . . B . 9 A N9 . . . B . 9 A C8 . . rr_1r2l 1
148 . . 2 2 10 10 DT O4' O . . 2 2 10 10 DT C1' C . . 2 2 10 10 DT N1 N . . 2 2 10 10 DT C6 C . 40.0 80.0 . . . B . 10 DT O4' . . B . 10 DT C1' . . B . 10 DT N1 . . B . 10 DT C6 . B . 10 T O4' . . . B . 10 T C1' . . . B . 10 T N1 . . . B . 10 T C6 . . rr_1r2l 1
149 . . 2 2 11 11 DC O4' O . . 2 2 11 11 DC C1' C . . 2 2 11 11 DC N1 N . . 2 2 11 11 DC C6 C . 40.0 80.0 . . . B . 11 DC O4' . . B . 11 DC C1' . . B . 11 DC N1 . . B . 11 DC C6 . B . 11 C O4' . . . B . 11 C C1' . . . B . 11 C N1 . . . B . 11 C C6 . . rr_1r2l 1
150 . . 2 2 12 12 DC O4' O . . 2 2 12 12 DC C1' C . . 2 2 12 12 DC N1 N . . 2 2 12 12 DC C6 C . 40.0 80.0 . . . B . 12 DC O4' . . B . 12 DC C1' . . B . 12 DC N1 . . B . 12 DC C6 . B . 12 C O4' . . . B . 12 C C1' . . . B . 12 C N1 . . . B . 12 C C6 . . rr_1r2l 1
151 . . 1 1 1 1 DNR O4' O . . 1 1 1 1 DNR C1' C . . 1 1 1 1 DNR N1 N . . 1 1 1 1 DNR C6 C . 40.0 80.0 . . . A . 1 DNR O4' . . A . 1 DNR C1' . . A . 1 DNR N1 . . A . 1 DNR C6 . 1 . 1 C O4' . . . 1 . 1 C C1' . . . 1 . 1 C N1 . . . 1 . 1 C C6 . . rr_1r2l 1
152 . . 1 1 2 2 DNR O4' O . . 1 1 2 2 DNR C1' C . . 1 1 2 2 DNR N1 N . . 1 1 2 2 DNR C6 C . 40.0 80.0 . . . A . 2 DNR O4' . . A . 2 DNR C1' . . A . 2 DNR N1 . . A . 2 DNR C6 . 1 . 2 C O4' . . . 1 . 2 C C1' . . . 1 . 2 C N1 . . . 1 . 2 C C6 . . rr_1r2l 1
153 . . 1 1 3 3 DA O4' O . . 1 1 3 3 DA C1' C . . 1 1 3 3 DA N9 N . . 1 1 3 3 DA C8 C . 40.0 80.0 . . . A . 3 DA O4' . . A . 3 DA C1' . . A . 3 DA N9 . . A . 3 DA C8 . 1 . 3 A O4' . . . 1 . 3 A C1' . . . 1 . 3 A N9 . . . 1 . 3 A C8 . . rr_1r2l 1
154 . . 1 1 4 4 DT O4' O . . 1 1 4 4 DT C1' C . . 1 1 4 4 DT N1 N . . 1 1 4 4 DT C6 C . 40.0 80.0 . . . A . 4 DT O4' . . A . 4 DT C1' . . A . 4 DT N1 . . A . 4 DT C6 . 1 . 4 T O4' . . . 1 . 4 T C1' . . . 1 . 4 T N1 . . . 1 . 4 T C6 . . rr_1r2l 1
155 . . 1 1 5 5 DA O4' O . . 1 1 5 5 DA C1' C . . 1 1 5 5 DA N9 N . . 1 1 5 5 DA C8 C . 25.0 95.0 . . . A . 5 DA O4' . . A . 5 DA C1' . . A . 5 DA N9 . . A . 5 DA C8 . 1 . 5 A O4' . . . 1 . 5 A C1' . . . 1 . 5 A N9 . . . 1 . 5 A C8 . . rr_1r2l 1
156 . . 1 1 6 6 DA O4' O . . 1 1 6 6 DA C1' C . . 1 1 6 6 DA N9 N . . 1 1 6 6 DA C8 C . 25.0 95.0 . . . A . 6 DA O4' . . A . 6 DA C1' . . A . 6 DA N9 . . A . 6 DA C8 . 1 . 6 A O4' . . . 1 . 6 A C1' . . . 1 . 6 A N9 . . . 1 . 6 A C8 . . rr_1r2l 1
157 . . 1 1 7 7 DT O4' O . . 1 1 7 7 DT C1' C . . 1 1 7 7 DT N1 N . . 1 1 7 7 DT C6 C . 25.0 95.0 . . . A . 7 DT O4' . . A . 7 DT C1' . . A . 7 DT N1 . . A . 7 DT C6 . 1 . 7 T O4' . . . 1 . 7 T C1' . . . 1 . 7 T N1 . . . 1 . 7 T C6 . . rr_1r2l 1
158 . . 1 1 8 8 DT O4' O . . 1 1 8 8 DT C1' C . . 1 1 8 8 DT N1 N . . 1 1 8 8 DT C6 C . 40.0 80.0 . . . A . 8 DT O4' . . A . 8 DT C1' . . A . 8 DT N1 . . A . 8 DT C6 . 1 . 8 T O4' . . . 1 . 8 T C1' . . . 1 . 8 T N1 . . . 1 . 8 T C6 . . rr_1r2l 1
159 . . 1 1 9 9 DT O4' O . . 1 1 9 9 DT C1' C . . 1 1 9 9 DT N1 N . . 1 1 9 9 DT C6 C . 40.0 80.0 . . . A . 9 DT O4' . . A . 9 DT C1' . . A . 9 DT N1 . . A . 9 DT C6 . 1 . 9 T O4' . . . 1 . 9 T C1' . . . 1 . 9 T N1 . . . 1 . 9 T C6 . . rr_1r2l 1
160 . . 1 1 10 10 DA O4' O . . 1 1 10 10 DA C1' C . . 1 1 10 10 DA N9 N . . 1 1 10 10 DA C8 C . 40.0 80.0 . . . A . 10 DA O4' . . A . 10 DA C1' . . A . 10 DA N9 . . A . 10 DA C8 . 1 . 10 A O4' . . . 1 . 10 A C1' . . . 1 . 10 A N9 . . . 1 . 10 A C8 . . rr_1r2l 1
161 . . 1 1 11 11 DNR O4' O . . 1 1 11 11 DNR C1' C . . 1 1 11 11 DNR N1 N . . 1 1 11 11 DNR C6 C . 40.0 80.0 . . . A . 11 DNR O4' . . A . 11 DNR C1' . . A . 11 DNR N1 . . A . 11 DNR C6 . 1 . 11 C O4' . . . 1 . 11 C C1' . . . 1 . 11 C N1 . . . 1 . 11 C C6 . . rr_1r2l 1
162 . . 1 1 12 12 DNR O4' O . . 1 1 12 12 DNR C1' C . . 1 1 12 12 DNR N1 N . . 1 1 12 12 DNR C6 C . 40.0 80.0 . . . A . 12 DNR O4' . . A . 12 DNR C1' . . A . 12 DNR N1 . . A . 12 DNR C6 . 1 . 12 C O4' . . . 1 . 12 C C1' . . . 1 . 12 C N1 . . . 1 . 12 C C6 . . rr_1r2l 1
stop_
loop_
_TA_constraint_comment_org.ID
_TA_constraint_comment_org.Comment_text
_TA_constraint_comment_org.Comment_begin_line
_TA_constraint_comment_org.Comment_begin_column
_TA_constraint_comment_org.Comment_end_line
_TA_constraint_comment_org.Comment_end_column
_TA_constraint_comment_org.Entry_ID
_TA_constraint_comment_org.Torsion_angle_constraint_list_ID
1
;NMR_dihedral
alpa...........
1:C_1B:O3' 1:C_1B:P 1:C_1B:O5' 1:C_1B:C5' 260 310 20 20 1000
;
1 1 3 100 rr_1r2l 1
2 "1:C_1:O3' 1:C_1:P 1:C_1:O5' 1:C_1:C5' 260 310 20 20 1000" 17 1 18 100 rr_1r2l 1
3 beta........... 32 1 32 16 rr_1r2l 1
4 gama.............. 62 1 62 19 rr_1r2l 1
5 delta............. 92 1 92 19 rr_1r2l 1
6 epsilon.............. 122 1 122 22 rr_1r2l 1
7 "1:C_12B:C4' 1:C_12B:C3' 1:C_12B:O3' 1:C_12B:P 180 240 20 20 1000" 136 1 137 64 rr_1r2l 1
8
;1:C_12:C4' 1:C_12:C3' 1:C_12:O3' 1:C_12:P 180 240 20 20 1000
zeta.........
;
151 1 152 14 rr_1r2l 1
9 "1:C_12B:C3' 1:C_12B:O3' 1:C_12B:P 1:C_12B:O5' 260 310 20 20 1000" 166 1 167 64 rr_1r2l 1
10
;1:C_12:C3' 1:C_12:O3' 1:C_12:P 1:C_12:O5' 260 310 20 20 1000
chi
;
181 1 182 4 rr_1r2l 1
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_1r2l
_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 29-SEP-03 1R2L *TITLE A PARALLEL STRANDED DNA DUPLEX WITH AN A-G MISMATCH BASE- *TITLE 2 PAIR *COMPND MOL_ID: 1; *COMPND 2 MOLECULE: 5'-D(P*(CH)P*(CH)P*AP*TP*AP*AP*TP*TP*TP*AP*(CH) *COMPND 3 P*(CH))-3'; *COMPND 4 CHAIN: A; *COMPND 5 ENGINEERED: YES; *COMPND 6 OTHER_DETAILS: PS-DNA; *COMPND 7 MOL_ID: 2; *COMPND 8 MOLECULE: 5'-D(P*CP*CP*TP*AP*TP*GP*AP*AP*AP*TP*CP*C)-3'; *COMPND 9 CHAIN: B; *COMPND 10 ENGINEERED: YES; *COMPND 11 OTHER_DETAILS: PS-DNA *SOURCE MOL_ID: 1; *SOURCE 2 SYNTHETIC: YES; *SOURCE 3 OTHER_DETAILS: THE DNA DUPLEX WAS SYNTHESIZED WITH AN *SOURCE 4 APPLIED BIOSYSTEMS MODEL 380B DNA SYNTHESIZER USING SOLID *SOURCE 5 STATE PHOSPHORAMIDATE CHEMISTRY.; *SOURCE 6 MOL_ID: 2; *SOURCE 7 SYNTHETIC: YES *KEYWDS PS-DNA, A:G MISMATCH, PARALLEL DNA DUPLEX *EXPDTA NMR, MINIMIZED AVERAGE STRUCTURE *AUTHOR R.P.VENKITAKRISHNAN, S.R.BHAUMIK, K.V.R.CHARY, G.GOVIL, *AUTHOR 2 K.LIU, F.B.HOWARD, T.H.MILES *REVDAT 1 12-OCT-04 1R2L 0"
save_