NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | cing | stage | program | type | subtype | item_count |
|
|
374649 |
1eka   |
cing | 3-converted-DOCR | STAR | entry | full | 143 |
data_DOCR_restraints_with_modified_coordinates_PDB_code_1eka
# This DOCR archive file contains, for PDB entry <1eka>:
#
# - 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_1eka
_Entry.Title "wwPDB remediated NMR restraints for PDB entry 1eka"
_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 1eka"
save_
save_assembly
_Assembly.Sf_category assembly
_Assembly.Sf_framecode assembly
_Assembly.Entry_ID rr_1eka
_Assembly.ID 1
_Assembly.Name 1eka
_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 5213.11716
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 "RNA 5 R GP AP GP UP GP CP UP C 3" 1 $RNA__5__R__GP_AP_GP_UP_GP_CP_UP_C__3__ A . no . . . . . . rr_1eka 1
2 "RNA 5 R GP AP GP UP GP CP UP C 3" 1 $RNA__5__R__GP_AP_GP_UP_GP_CP_UP_C__3__ B . no . . . . . . rr_1eka 1
stop_
save_
save_RNA__5__R__GP_AP_GP_UP_GP_CP_UP_C__3__
_Entity.Sf_category entity
_Entity.Sf_framecode RNA__5__R__GP_AP_GP_UP_GP_CP_UP_C__3__
_Entity.Entry_ID rr_1eka
_Entity.ID 1
_Entity.Name RNA__5__R__GP_AP_GP_UP_GP_CP_UP_C__3__
_Entity.Type polymer
_Entity.Polymer_type polyribonucleotide
_Entity.Polymer_strand_ID A,B
_Entity.Polymer_seq_one_letter_code GAGUGCUC
_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 8
_Entity.Paramagnetic no
_Entity.Thiol_state "not present"
_Entity.Parent_entity_ID 1
_Entity.Formula_weight 2606.55858
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 . G . rr_1eka 1
2 . A . rr_1eka 1
3 . G . rr_1eka 1
4 . U . rr_1eka 1
5 . G . rr_1eka 1
6 . C . rr_1eka 1
7 . U . rr_1eka 1
8 . C . rr_1eka 1
stop_
loop_
_Entity_poly_seq.Hetero
_Entity_poly_seq.Mon_ID
_Entity_poly_seq.Num
_Entity_poly_seq.Comp_index_ID
_Entity_poly_seq.Entry_ID
_Entity_poly_seq.Entity_ID
. G 1 1 rr_1eka 1
. A 2 2 rr_1eka 1
. G 3 3 rr_1eka 1
. U 4 4 rr_1eka 1
. G 5 5 rr_1eka 1
. C 6 6 rr_1eka 1
. U 7 7 rr_1eka 1
. C 8 8 rr_1eka 1
stop_
save_
save_conformer_statistics
_Conformer_stat_list.Sf_category conformer_statistics
_Conformer_stat_list.Sf_framecode conformer_statistics
_Conformer_stat_list.Entry_ID rr_1eka
_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_1eka
_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_1eka 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_1eka 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 G C1' C -5.861 -13.181 -6.493 . . . 1.0 . . . . . . . . . . . . A . 1 G C1' . . . . . . . . . rr_1eka 1
. 1 . 2 . 1 1 1 G C2 C -5.100 -12.769 -2.171 . . . 1.0 . . . . . . . . . . . . A . 1 G C2 . . . . . . . . . rr_1eka 1
. 1 . 3 . 1 1 1 G C2' C -7.143 -12.369 -6.295 . . . 1.0 . . . . . . . . . . . . A . 1 G C2' . . . . . . . . . rr_1eka 1
. 1 . 4 . 1 1 1 G C3' C -6.973 -11.339 -7.396 . . . 1.0 . . . . . . . . . . . . A . 1 G C3' . . . . . . . . . rr_1eka 1
. 1 . 5 . 1 1 1 G C4 C -4.597 -12.544 -4.361 . . . 1.0 . . . . . . . . . . . . A . 1 G C4 . . . . . . . . . rr_1eka 1
. 1 . 6 . 1 1 1 G C4' C -6.387 -12.184 -8.522 . . . 1.0 . . . . . . . . . . . . A . 1 G C4' . . . . . . . . . rr_1eka 1
. 1 . 7 . 1 1 1 G C5 C -3.351 -12.006 -4.112 . . . 1.0 . . . . . . . . . . . . A . 1 G C5 . . . . . . . . . rr_1eka 1
. 1 . 8 . 1 1 1 G C5' C -5.677 -11.363 -9.611 . . . 1.0 . . . . . . . . . . . . A . 1 G C5' . . . . . . . . . rr_1eka 1
. 1 . 9 . 1 1 1 G C6 C -2.908 -11.865 -2.756 . . . 1.0 . . . . . . . . . . . . A . 1 G C6 . . . . . . . . . rr_1eka 1
. 1 . 10 . 1 1 1 G C8 C -3.587 -12.012 -6.220 . . . 1.0 . . . . . . . . . . . . A . 1 G C8 . . . . . . . . . rr_1eka 1
. 1 . 11 . 1 1 1 G H1 H -3.625 -12.161 -0.856 . . . 1.0 . . . . . . . . . . . . A . 1 G H1 . . . . . . . . . rr_1eka 1
. 1 . 12 . 1 1 1 G H1' H -6.018 -14.207 -6.162 . . . 1.0 . . . . . . . . . . . . A . 1 G H1' . . . . . . . . . rr_1eka 1
. 1 . 13 . 1 1 1 G H2' H -7.172 -11.890 -5.318 . . . 1.0 . . . . . . . . . . . . A . 1 G H2' . . . . . . . . . rr_1eka 1
. 1 . 14 . 1 1 1 G H21 H -5.637 -12.898 -0.211 . . . 1.0 . . . . . . . . . . . . A . 1 G H21 . . . . . . . . . rr_1eka 1
. 1 . 15 . 1 1 1 G H22 H -6.832 -13.428 -1.394 . . . 1.0 . . . . . . . . . . . . A . 1 G H22 . . . . . . . . . rr_1eka 1
. 1 . 16 . 1 1 1 G H3' H -6.239 -10.614 -7.042 . . . 1.0 . . . . . . . . . . . . A . 1 G H3' . . . . . . . . . rr_1eka 1
. 1 . 17 . 1 1 1 G H4' H -7.203 -12.736 -8.991 . . . 1.0 . . . . . . . . . . . . A . 1 G H4' . . . . . . . . . rr_1eka 1
. 1 . 18 . 1 1 1 G H5' H -5.018 -12.019 -10.181 . . . 1.0 . . . . . . . . . . . . A . 1 G H5' . . . . . . . . . rr_1eka 1
. 1 . 19 . 1 1 1 G H5'' H -6.432 -10.961 -10.288 . . . 1.0 . . . . . . . . . . . . A . 1 G H5'' . . . . . . . . . rr_1eka 1
. 1 . 20 . 1 1 1 G H8 H -3.422 -11.869 -7.276 . . . 1.0 . . . . . . . . . . . . A . 1 G H8 . . . . . . . . . rr_1eka 1
. 1 . 21 . 1 1 1 G HO2' H -9.015 -12.593 -6.718 . . . 1.0 . . . . . . . . . . . . A . 1 G HO2' . . . . . . . . . rr_1eka 1
. 1 . 22 . 1 1 1 G HO5' H -5.554 -9.602 -8.769 . . . 1.0 . . . . . . . . . . . . A . 1 G HO5' . . . . . . . . . rr_1eka 1
. 1 . 23 . 1 1 1 G N1 N -3.866 -12.265 -1.833 . . . 1.0 . . . . . . . . . . . . A . 1 G N1 . . . . . . . . . rr_1eka 1
. 1 . 24 . 1 1 1 G N2 N -5.919 -13.069 -1.172 . . . 1.0 . . . . . . . . . . . . A . 1 G N2 . . . . . . . . . rr_1eka 1
. 1 . 25 . 1 1 1 G N3 N -5.512 -12.954 -3.434 . . . 1.0 . . . . . . . . . . . . A . 1 G N3 . . . . . . . . . rr_1eka 1
. 1 . 26 . 1 1 1 G N7 N -2.721 -11.672 -5.308 . . . 1.0 . . . . . . . . . . . . A . 1 G N7 . . . . . . . . . rr_1eka 1
. 1 . 27 . 1 1 1 G N9 N -4.731 -12.589 -5.731 . . . 1.0 . . . . . . . . . . . . A . 1 G N9 . . . . . . . . . rr_1eka 1
. 1 . 28 . 1 1 1 G O2' O -8.285 -13.181 -6.501 . . . 1.0 . . . . . . . . . . . . A . 1 G O2' . . . . . . . . . rr_1eka 1
. 1 . 29 . 1 1 1 G O3' O -8.175 -10.711 -7.786 . . . 1.0 . . . . . . . . . . . . A . 1 G O3' . . . . . . . . . rr_1eka 1
. 1 . 30 . 1 1 1 G O4' O -5.547 -13.137 -7.885 . . . 1.0 . . . . . . . . . . . . A . 1 G O4' . . . . . . . . . rr_1eka 1
. 1 . 31 . 1 1 1 G O5' O -4.930 -10.276 -9.093 . . . 1.0 . . . . . . . . . . . . A . 1 G O5' . . . . . . . . . rr_1eka 1
. 1 . 32 . 1 1 1 G O6 O -1.830 -11.449 -2.338 . . . 1.0 . . . . . . . . . . . . A . 1 G O6 . . . . . . . . . rr_1eka 1
. 1 . 33 . 1 1 2 A C1' C -7.979 -9.890 -2.406 . . . 1.0 . . . . . . . . . . . . A . 2 A C1' . . . . . . . . . rr_1eka 1
. 1 . 34 . 1 1 2 A C2 C -4.858 -9.348 0.572 . . . 1.0 . . . . . . . . . . . . A . 2 A C2 . . . . . . . . . rr_1eka 1
. 1 . 35 . 1 1 2 A C2' C -8.783 -8.668 -1.965 . . . 1.0 . . . . . . . . . . . . A . 2 A C2' . . . . . . . . . rr_1eka 1
. 1 . 36 . 1 1 2 A C3' C -9.277 -8.118 -3.301 . . . 1.0 . . . . . . . . . . . . A . 2 A C3' . . . . . . . . . rr_1eka 1
. 1 . 37 . 1 1 2 A C4 C -5.670 -9.377 -1.503 . . . 1.0 . . . . . . . . . . . . A . 2 A C4 . . . . . . . . . rr_1eka 1
. 1 . 38 . 1 1 2 A C4' C -9.566 -9.432 -4.022 . . . 1.0 . . . . . . . . . . . . A . 2 A C4' . . . . . . . . . rr_1eka 1
. 1 . 39 . 1 1 2 A C5 C -4.479 -8.975 -2.052 . . . 1.0 . . . . . . . . . . . . A . 2 A C5 . . . . . . . . . rr_1eka 1
. 1 . 40 . 1 1 2 A C5' C -9.694 -9.311 -5.542 . . . 1.0 . . . . . . . . . . . . A . 2 A C5' . . . . . . . . . rr_1eka 1
. 1 . 41 . 1 1 2 A C6 C -3.424 -8.763 -1.130 . . . 1.0 . . . . . . . . . . . . A . 2 A C6 . . . . . . . . . rr_1eka 1
. 1 . 42 . 1 1 2 A C8 C -5.836 -9.198 -3.675 . . . 1.0 . . . . . . . . . . . . A . 2 A C8 . . . . . . . . . rr_1eka 1
. 1 . 43 . 1 1 2 A H1' H -8.066 -10.668 -1.647 . . . 1.0 . . . . . . . . . . . . A . 2 A H1' . . . . . . . . . rr_1eka 1
. 1 . 44 . 1 1 2 A H2 H -4.988 -9.491 1.635 . . . 1.0 . . . . . . . . . . . . A . 2 A H2 . . . . . . . . . rr_1eka 1
. 1 . 45 . 1 1 2 A H2' H -8.171 -7.942 -1.434 . . . 1.0 . . . . . . . . . . . . A . 2 A H2' . . . . . . . . . rr_1eka 1
. 1 . 46 . 1 1 2 A H3' H -8.472 -7.591 -3.815 . . . 1.0 . . . . . . . . . . . . A . 2 A H3' . . . . . . . . . rr_1eka 1
. 1 . 47 . 1 1 2 A H4' H -10.510 -9.819 -3.636 . . . 1.0 . . . . . . . . . . . . A . 2 A H4' . . . . . . . . . rr_1eka 1
. 1 . 48 . 1 1 2 A H5' H -9.988 -10.287 -5.929 . . . 1.0 . . . . . . . . . . . . A . 2 A H5' . . . . . . . . . rr_1eka 1
. 1 . 49 . 1 1 2 A H5'' H -10.480 -8.594 -5.783 . . . 1.0 . . . . . . . . . . . . A . 2 A H5'' . . . . . . . . . rr_1eka 1
. 1 . 50 . 1 1 2 A H61 H -1.492 -8.262 -0.756 . . . 1.0 . . . . . . . . . . . . A . 2 A H61 . . . . . . . . . rr_1eka 1
. 1 . 51 . 1 1 2 A H62 H -1.985 -8.227 -2.448 . . . 1.0 . . . . . . . . . . . . A . 2 A H62 . . . . . . . . . rr_1eka 1
. 1 . 52 . 1 1 2 A H8 H -6.264 -9.210 -4.668 . . . 1.0 . . . . . . . . . . . . A . 2 A H8 . . . . . . . . . rr_1eka 1
. 1 . 53 . 1 1 2 A HO2' H -10.456 -8.358 -1.053 . . . 1.0 . . . . . . . . . . . . A . 2 A HO2' . . . . . . . . . rr_1eka 1
. 1 . 54 . 1 1 2 A N1 N -3.648 -8.959 0.182 . . . 1.0 . . . . . . . . . . . . A . 2 A N1 . . . . . . . . . rr_1eka 1
. 1 . 55 . 1 1 2 A N3 N -5.929 -9.585 -0.181 . . . 1.0 . . . . . . . . . . . . A . 2 A N3 . . . . . . . . . rr_1eka 1
. 1 . 56 . 1 1 2 A N6 N -2.196 -8.384 -1.475 . . . 1.0 . . . . . . . . . . . . A . 2 A N6 . . . . . . . . . rr_1eka 1
. 1 . 57 . 1 1 2 A N7 N -4.593 -8.873 -3.440 . . . 1.0 . . . . . . . . . . . . A . 2 A N7 . . . . . . . . . rr_1eka 1
. 1 . 58 . 1 1 2 A N9 N -6.550 -9.526 -2.548 . . . 1.0 . . . . . . . . . . . . A . 2 A N9 . . . . . . . . . rr_1eka 1
. 1 . 59 . 1 1 2 A O2' O -9.852 -9.101 -1.142 . . . 1.0 . . . . . . . . . . . . A . 2 A O2' . . . . . . . . . rr_1eka 1
. 1 . 60 . 1 1 2 A O3' O -10.430 -7.304 -3.162 . . . 1.0 . . . . . . . . . . . . A . 2 A O3' . . . . . . . . . rr_1eka 1
. 1 . 61 . 1 1 2 A O4' O -8.535 -10.335 -3.638 . . . 1.0 . . . . . . . . . . . . A . 2 A O4' . . . . . . . . . rr_1eka 1
. 1 . 62 . 1 1 2 A O5' O -8.487 -8.906 -6.162 . . . 1.0 . . . . . . . . . . . . A . 2 A O5' . . . . . . . . . rr_1eka 1
. 1 . 63 . 1 1 2 A OP1 O -9.531 -8.718 -8.450 . . . 1.0 . . . . . . . . . . . . A . 2 A OP1 . . . . . . . . . rr_1eka 1
. 1 . 64 . 1 1 2 A OP2 O -6.981 -8.558 -8.171 . . . 1.0 . . . . . . . . . . . . A . 2 A OP2 . . . . . . . . . rr_1eka 1
. 1 . 65 . 1 1 2 A P P -8.291 -9.111 -7.749 . . . 1.0 . . . . . . . . . . . . A . 2 A P . . . . . . . . . rr_1eka 1
. 1 . 66 . 1 1 3 G C1' C -7.731 -6.451 1.758 . . . 1.0 . . . . . . . . . . . . A . 3 G C1' . . . . . . . . . rr_1eka 1
. 1 . 67 . 1 1 3 G C2 C -3.574 -5.820 2.899 . . . 1.0 . . . . . . . . . . . . A . 3 G C2 . . . . . . . . . rr_1eka 1
. 1 . 68 . 1 1 3 G C2' C -8.195 -5.175 2.453 . . . 1.0 . . . . . . . . . . . . A . 3 G C2' . . . . . . . . . rr_1eka 1
. 1 . 69 . 1 1 3 G C3' C -9.278 -4.659 1.512 . . . 1.0 . . . . . . . . . . . . A . 3 G C3' . . . . . . . . . rr_1eka 1
. 1 . 70 . 1 1 3 G C4 C -5.261 -6.009 1.410 . . . 1.0 . . . . . . . . . . . . A . 3 G C4 . . . . . . . . . rr_1eka 1
. 1 . 71 . 1 1 3 G C4' C -9.897 -5.986 1.071 . . . 1.0 . . . . . . . . . . . . A . 3 G C4' . . . . . . . . . rr_1eka 1
. 1 . 72 . 1 1 3 G C5 C -4.451 -5.776 0.320 . . . 1.0 . . . . . . . . . . . . A . 3 G C5 . . . . . . . . . rr_1eka 1
. 1 . 73 . 1 1 3 G C5' C -10.675 -5.895 -0.245 . . . 1.0 . . . . . . . . . . . . A . 3 G C5' . . . . . . . . . rr_1eka 1
. 1 . 74 . 1 1 3 G C6 C -3.045 -5.571 0.528 . . . 1.0 . . . . . . . . . . . . A . 3 G C6 . . . . . . . . . rr_1eka 1
. 1 . 75 . 1 1 3 G C8 C -6.431 -5.987 -0.432 . . . 1.0 . . . . . . . . . . . . A . 3 G C8 . . . . . . . . . rr_1eka 1
. 1 . 76 . 1 1 3 G H1 H -1.717 -5.427 2.087 . . . 1.0 . . . . . . . . . . . . A . 3 G H1 . . . . . . . . . rr_1eka 1
. 1 . 77 . 1 1 3 G H1' H -7.456 -7.186 2.515 . . . 1.0 . . . . . . . . . . . . A . 3 G H1' . . . . . . . . . rr_1eka 1
. 1 . 78 . 1 1 3 G H2' H -7.389 -4.455 2.562 . . . 1.0 . . . . . . . . . . . . A . 3 G H2' . . . . . . . . . rr_1eka 1
. 1 . 79 . 1 1 3 G H21 H -2.115 -5.522 4.297 . . . 1.0 . . . . . . . . . . . . A . 3 G H21 . . . . . . . . . rr_1eka 1
. 1 . 80 . 1 1 3 G H22 H -3.731 -5.903 4.896 . . . 1.0 . . . . . . . . . . . . A . 3 G H22 . . . . . . . . . rr_1eka 1
. 1 . 81 . 1 1 3 G H3' H -8.830 -4.155 0.653 . . . 1.0 . . . . . . . . . . . . A . 3 G H3' . . . . . . . . . rr_1eka 1
. 1 . 82 . 1 1 3 G H4' H -10.581 -6.311 1.855 . . . 1.0 . . . . . . . . . . . . A . 3 G H4' . . . . . . . . . rr_1eka 1
. 1 . 83 . 1 1 3 G H5' H -11.219 -6.827 -0.397 . . . 1.0 . . . . . . . . . . . . A . 3 G H5' . . . . . . . . . rr_1eka 1
. 1 . 84 . 1 1 3 G H5'' H -11.394 -5.077 -0.186 . . . 1.0 . . . . . . . . . . . . A . 3 G H5'' . . . . . . . . . rr_1eka 1
. 1 . 85 . 1 1 3 G H8 H -7.277 -6.022 -1.102 . . . 1.0 . . . . . . . . . . . . A . 3 G H8 . . . . . . . . . rr_1eka 1
. 1 . 86 . 1 1 3 G HO2' H -9.385 -4.839 3.932 . . . 1.0 . . . . . . . . . . . . A . 3 G HO2' . . . . . . . . . rr_1eka 1
. 1 . 87 . 1 1 3 G N1 N -2.688 -5.605 1.871 . . . 1.0 . . . . . . . . . . . . A . 3 G N1 . . . . . . . . . rr_1eka 1
. 1 . 88 . 1 1 3 G N2 N -3.093 -5.748 4.133 . . . 1.0 . . . . . . . . . . . . A . 3 G N2 . . . . . . . . . rr_1eka 1
. 1 . 89 . 1 1 3 G N3 N -4.881 -6.048 2.721 . . . 1.0 . . . . . . . . . . . . A . 3 G N3 . . . . . . . . . rr_1eka 1
. 1 . 90 . 1 1 3 G N7 N -5.214 -5.768 -0.847 . . . 1.0 . . . . . . . . . . . . A . 3 G N7 . . . . . . . . . rr_1eka 1
. 1 . 91 . 1 1 3 G N9 N -6.536 -6.176 0.924 . . . 1.0 . . . . . . . . . . . . A . 3 G N9 . . . . . . . . . rr_1eka 1
. 1 . 92 . 1 1 3 G O2' O -8.733 -5.514 3.719 . . . 1.0 . . . . . . . . . . . . A . 3 G O2' . . . . . . . . . rr_1eka 1
. 1 . 93 . 1 1 3 G O3' O -10.196 -3.822 2.199 . . . 1.0 . . . . . . . . . . . . A . 3 G O3' . . . . . . . . . rr_1eka 1
. 1 . 94 . 1 1 3 G O4' O -8.831 -6.927 0.992 . . . 1.0 . . . . . . . . . . . . A . 3 G O4' . . . . . . . . . rr_1eka 1
. 1 . 95 . 1 1 3 G O5' O -9.798 -5.678 -1.334 . . . 1.0 . . . . . . . . . . . . A . 3 G O5' . . . . . . . . . rr_1eka 1
. 1 . 96 . 1 1 3 G O6 O -2.162 -5.361 -0.299 . . . 1.0 . . . . . . . . . . . . A . 3 G O6 . . . . . . . . . rr_1eka 1
. 1 . 97 . 1 1 3 G OP1 O -11.687 -5.158 -2.902 . . . 1.0 . . . . . . . . . . . . A . 3 G OP1 . . . . . . . . . rr_1eka 1
. 1 . 98 . 1 1 3 G OP2 O -9.261 -5.159 -3.723 . . . 1.0 . . . . . . . . . . . . A . 3 G OP2 . . . . . . . . . rr_1eka 1
. 1 . 99 . 1 1 3 G P P -10.320 -5.721 -2.859 . . . 1.0 . . . . . . . . . . . . A . 3 G P . . . . . . . . . rr_1eka 1
. 1 . 100 . 1 1 4 U C1' C -4.893 -2.552 3.929 . . . 1.0 . . . . . . . . . . . . A . 4 U C1' . . . . . . . . . rr_1eka 1
. 1 . 101 . 1 1 4 U C2 C -3.188 -2.409 2.152 . . . 1.0 . . . . . . . . . . . . A . 4 U C2 . . . . . . . . . rr_1eka 1
. 1 . 102 . 1 1 4 U C2' C -4.829 -1.149 4.533 . . . 1.0 . . . . . . . . . . . . A . 4 U C2' . . . . . . . . . rr_1eka 1
. 1 . 103 . 1 1 4 U C3' C -6.299 -0.745 4.586 . . . 1.0 . . . . . . . . . . . . A . 4 U C3' . . . . . . . . . rr_1eka 1
. 1 . 104 . 1 1 4 U C4 C -3.779 -2.232 -0.235 . . . 1.0 . . . . . . . . . . . . A . 4 U C4 . . . . . . . . . rr_1eka 1
. 1 . 105 . 1 1 4 U C4' C -6.974 -2.085 4.862 . . . 1.0 . . . . . . . . . . . . A . 4 U C4' . . . . . . . . . rr_1eka 1
. 1 . 106 . 1 1 4 U C5 C -5.164 -2.342 0.182 . . . 1.0 . . . . . . . . . . . . A . 4 U C5 . . . . . . . . . rr_1eka 1
. 1 . 107 . 1 1 4 U C5' C -8.448 -2.143 4.442 . . . 1.0 . . . . . . . . . . . . A . 4 U C5' . . . . . . . . . rr_1eka 1
. 1 . 108 . 1 1 4 U C6 C -5.507 -2.462 1.490 . . . 1.0 . . . . . . . . . . . . A . 4 U C6 . . . . . . . . . rr_1eka 1
. 1 . 109 . 1 1 4 U H1' H -4.160 -3.183 4.433 . . . 1.0 . . . . . . . . . . . . A . 4 U H1' . . . . . . . . . rr_1eka 1
. 1 . 110 . 1 1 4 U H2' H -4.264 -0.464 3.901 . . . 1.0 . . . . . . . . . . . . A . 4 U H2' . . . . . . . . . rr_1eka 1
. 1 . 111 . 1 1 4 U H3 H -1.891 -2.201 0.544 . . . 1.0 . . . . . . . . . . . . A . 4 U H3 . . . . . . . . . rr_1eka 1
. 1 . 112 . 1 1 4 U H3' H -6.614 -0.388 3.604 . . . 1.0 . . . . . . . . . . . . A . 4 U H3' . . . . . . . . . rr_1eka 1
. 1 . 113 . 1 1 4 U H4' H -6.909 -2.274 5.934 . . . 1.0 . . . . . . . . . . . . A . 4 U H4' . . . . . . . . . rr_1eka 1
. 1 . 114 . 1 1 4 U H5 H -5.934 -2.321 -0.576 . . . 1.0 . . . . . . . . . . . . A . 4 U H5 . . . . . . . . . rr_1eka 1
. 1 . 115 . 1 1 4 U H5' H -8.873 -3.087 4.781 . . . 1.0 . . . . . . . . . . . . A . 4 U H5' . . . . . . . . . rr_1eka 1
. 1 . 116 . 1 1 4 U H5'' H -8.991 -1.324 4.916 . . . 1.0 . . . . . . . . . . . . A . 4 U H5'' . . . . . . . . . rr_1eka 1
. 1 . 117 . 1 1 4 U H6 H -6.552 -2.529 1.751 . . . 1.0 . . . . . . . . . . . . A . 4 U H6 . . . . . . . . . rr_1eka 1
. 1 . 118 . 1 1 4 U HO2' H -4.170 -0.343 6.171 . . . 1.0 . . . . . . . . . . . . A . 4 U HO2' . . . . . . . . . rr_1eka 1
. 1 . 119 . 1 1 4 U N1 N -4.546 -2.496 2.478 . . . 1.0 . . . . . . . . . . . . A . 4 U N1 . . . . . . . . . rr_1eka 1
. 1 . 120 . 1 1 4 U N3 N -2.866 -2.270 0.807 . . . 1.0 . . . . . . . . . . . . A . 4 U N3 . . . . . . . . . rr_1eka 1
. 1 . 121 . 1 1 4 U O2 O -2.301 -2.455 3.003 . . . 1.0 . . . . . . . . . . . . A . 4 U O2 . . . . . . . . . rr_1eka 1
. 1 . 122 . 1 1 4 U O2' O -4.236 -1.236 5.815 . . . 1.0 . . . . . . . . . . . . A . 4 U O2' . . . . . . . . . rr_1eka 1
. 1 . 123 . 1 1 4 U O3' O -6.581 0.216 5.591 . . . 1.0 . . . . . . . . . . . . A . 4 U O3' . . . . . . . . . rr_1eka 1
. 1 . 124 . 1 1 4 U O4 O -3.392 -2.111 -1.391 . . . 1.0 . . . . . . . . . . . . A . 4 U O4 . . . . . . . . . rr_1eka 1
. 1 . 125 . 1 1 4 U O4' O -6.193 -3.068 4.193 . . . 1.0 . . . . . . . . . . . . A . 4 U O4' . . . . . . . . . rr_1eka 1
. 1 . 126 . 1 1 4 U O5' O -8.575 -2.043 3.035 . . . 1.0 . . . . . . . . . . . . A . 4 U O5' . . . . . . . . . rr_1eka 1
. 1 . 127 . 1 1 4 U OP1 O -11.055 -1.678 3.154 . . . 1.0 . . . . . . . . . . . . A . 4 U OP1 . . . . . . . . . rr_1eka 1
. 1 . 128 . 1 1 4 U OP2 O -9.836 -1.715 0.903 . . . 1.0 . . . . . . . . . . . . A . 4 U OP2 . . . . . . . . . rr_1eka 1
. 1 . 129 . 1 1 4 U P P -9.991 -2.222 2.282 . . . 1.0 . . . . . . . . . . . . A . 4 U P . . . . . . . . . rr_1eka 1
. 1 . 130 . 1 1 5 G C1' C -1.026 1.303 6.117 . . . 1.0 . . . . . . . . . . . . A . 5 G C1' . . . . . . . . . rr_1eka 1
. 1 . 131 . 1 1 5 G C2 C 2.178 1.895 3.228 . . . 1.0 . . . . . . . . . . . . A . 5 G C2 . . . . . . . . . rr_1eka 1
. 1 . 132 . 1 1 5 G C2' C -0.779 2.650 6.784 . . . 1.0 . . . . . . . . . . . . A . 5 G C2' . . . . . . . . . rr_1eka 1
. 1 . 133 . 1 1 5 G C3' C -2.199 3.148 7.047 . . . 1.0 . . . . . . . . . . . . A . 5 G C3' . . . . . . . . . rr_1eka 1
. 1 . 134 . 1 1 5 G C4 C 0.023 1.619 3.833 . . . 1.0 . . . . . . . . . . . . A . 5 G C4 . . . . . . . . . rr_1eka 1
. 1 . 135 . 1 1 5 G C4' C -2.882 1.834 7.431 . . . 1.0 . . . . . . . . . . . . A . 5 G C4' . . . . . . . . . rr_1eka 1
. 1 . 136 . 1 1 5 G C5 C -0.440 1.618 2.535 . . . 1.0 . . . . . . . . . . . . A . 5 G C5 . . . . . . . . . rr_1eka 1
. 1 . 137 . 1 1 5 G C5' C -4.402 1.837 7.237 . . . 1.0 . . . . . . . . . . . . A . 5 G C5' . . . . . . . . . rr_1eka 1
. 1 . 138 . 1 1 5 G C6 C 0.501 1.754 1.460 . . . 1.0 . . . . . . . . . . . . A . 5 G C6 . . . . . . . . . rr_1eka 1
. 1 . 139 . 1 1 5 G C8 C -2.148 1.419 3.786 . . . 1.0 . . . . . . . . . . . . A . 5 G C8 . . . . . . . . . rr_1eka 1
. 1 . 140 . 1 1 5 G H1 H 2.519 2.025 1.208 . . . 1.0 . . . . . . . . . . . . A . 5 G H1 . . . . . . . . . rr_1eka 1
. 1 . 141 . 1 1 5 G H1' H -0.195 0.633 6.347 . . . 1.0 . . . . . . . . . . . . A . 5 G H1' . . . . . . . . . rr_1eka 1
. 1 . 142 . 1 1 5 G H2' H -0.225 3.332 6.141 . . . 1.0 . . . . . . . . . . . . A . 5 G H2' . . . . . . . . . rr_1eka 1
. 1 . 143 . 1 1 5 G H21 H 4.113 2.244 2.716 . . . 1.0 . . . . . . . . . . . . A . 5 G H21 . . . . . . . . . rr_1eka 1
. 1 . 144 . 1 1 5 G H22 H 3.766 2.098 4.439 . . . 1.0 . . . . . . . . . . . . A . 5 G H22 . . . . . . . . . rr_1eka 1
. 1 . 145 . 1 1 5 G H3' H -2.640 3.541 6.129 . . . 1.0 . . . . . . . . . . . . A . 5 G H3' . . . . . . . . . rr_1eka 1
. 1 . 146 . 1 1 5 G H4' H -2.689 1.655 8.491 . . . 1.0 . . . . . . . . . . . . A . 5 G H4' . . . . . . . . . rr_1eka 1
. 1 . 147 . 1 1 5 G H5' H -4.813 0.925 7.673 . . . 1.0 . . . . . . . . . . . . A . 5 G H5' . . . . . . . . . rr_1eka 1
. 1 . 148 . 1 1 5 G H5'' H -4.829 2.696 7.757 . . . 1.0 . . . . . . . . . . . . A . 5 G H5'' . . . . . . . . . rr_1eka 1
. 1 . 149 . 1 1 5 G H8 H -3.168 1.330 4.122 . . . 1.0 . . . . . . . . . . . . A . 5 G H8 . . . . . . . . . rr_1eka 1
. 1 . 150 . 1 1 5 G HO2' H -0.308 3.148 8.586 . . . 1.0 . . . . . . . . . . . . A . 5 G HO2' . . . . . . . . . rr_1eka 1
. 1 . 151 . 1 1 5 G N1 N 1.807 1.888 1.908 . . . 1.0 . . . . . . . . . . . . A . 5 G N1 . . . . . . . . . rr_1eka 1
. 1 . 152 . 1 1 5 G N2 N 3.468 2.087 3.478 . . . 1.0 . . . . . . . . . . . . A . 5 G N2 . . . . . . . . . rr_1eka 1
. 1 . 153 . 1 1 5 G N3 N 1.319 1.753 4.245 . . . 1.0 . . . . . . . . . . . . A . 5 G N3 . . . . . . . . . rr_1eka 1
. 1 . 154 . 1 1 5 G N7 N -1.828 1.493 2.523 . . . 1.0 . . . . . . . . . . . . A . 5 G N7 . . . . . . . . . rr_1eka 1
. 1 . 155 . 1 1 5 G N9 N -1.076 1.449 4.642 . . . 1.0 . . . . . . . . . . . . A . 5 G N9 . . . . . . . . . rr_1eka 1
. 1 . 156 . 1 1 5 G O2' O -0.077 2.426 7.993 . . . 1.0 . . . . . . . . . . . . A . 5 G O2' . . . . . . . . . rr_1eka 1
. 1 . 157 . 1 1 5 G O3' O -2.220 4.106 8.095 . . . 1.0 . . . . . . . . . . . . A . 5 G O3' . . . . . . . . . rr_1eka 1
. 1 . 158 . 1 1 5 G O4' O -2.248 0.808 6.664 . . . 1.0 . . . . . . . . . . . . A . 5 G O4' . . . . . . . . . rr_1eka 1
. 1 . 159 . 1 1 5 G O5' O -4.747 1.895 5.867 . . . 1.0 . . . . . . . . . . . . A . 5 G O5' . . . . . . . . . rr_1eka 1
. 1 . 160 . 1 1 5 G O6 O 0.306 1.772 0.248 . . . 1.0 . . . . . . . . . . . . A . 5 G O6 . . . . . . . . . rr_1eka 1
. 1 . 161 . 1 1 5 G OP1 O -7.128 2.547 6.329 . . . 1.0 . . . . . . . . . . . . A . 5 G OP1 . . . . . . . . . rr_1eka 1
. 1 . 162 . 1 1 5 G OP2 O -6.327 2.094 3.936 . . . 1.0 . . . . . . . . . . . . A . 5 G OP2 . . . . . . . . . rr_1eka 1
. 1 . 163 . 1 1 5 G P P -6.283 1.789 5.382 . . . 1.0 . . . . . . . . . . . . A . 5 G P . . . . . . . . . rr_1eka 1
. 1 . 164 . 1 1 6 C C1' C 2.585 5.223 5.035 . . . 1.0 . . . . . . . . . . . . A . 6 C C1' . . . . . . . . . rr_1eka 1
. 1 . 165 . 1 1 6 C C2 C 2.329 5.265 2.565 . . . 1.0 . . . . . . . . . . . . A . 6 C C2 . . . . . . . . . rr_1eka 1
. 1 . 166 . 1 1 6 C C2' C 3.087 6.627 5.370 . . . 1.0 . . . . . . . . . . . . A . 6 C C2' . . . . . . . . . rr_1eka 1
. 1 . 167 . 1 1 6 C C3' C 2.125 7.075 6.468 . . . 1.0 . . . . . . . . . . . . A . 6 C C3' . . . . . . . . . rr_1eka 1
. 1 . 168 . 1 1 6 C C4 C 0.234 5.133 1.531 . . . 1.0 . . . . . . . . . . . . A . 6 C C4 . . . . . . . . . rr_1eka 1
. 1 . 169 . 1 1 6 C C4' C 1.908 5.751 7.198 . . . 1.0 . . . . . . . . . . . . A . 6 C C4' . . . . . . . . . rr_1eka 1
. 1 . 170 . 1 1 6 C C5 C -0.436 5.125 2.798 . . . 1.0 . . . . . . . . . . . . A . 6 C C5 . . . . . . . . . rr_1eka 1
. 1 . 171 . 1 1 6 C C5' C 0.627 5.734 8.041 . . . 1.0 . . . . . . . . . . . . A . 6 C C5' . . . . . . . . . rr_1eka 1
. 1 . 172 . 1 1 6 C C6 C 0.337 5.179 3.912 . . . 1.0 . . . . . . . . . . . . A . 6 C C6 . . . . . . . . . rr_1eka 1
. 1 . 173 . 1 1 6 C H1' H 3.450 4.591 4.828 . . . 1.0 . . . . . . . . . . . . A . 6 C H1' . . . . . . . . . rr_1eka 1
. 1 . 174 . 1 1 6 C H2' H 3.053 7.294 4.511 . . . 1.0 . . . . . . . . . . . . A . 6 C H2' . . . . . . . . . rr_1eka 1
. 1 . 175 . 1 1 6 C H3' H 1.184 7.410 6.029 . . . 1.0 . . . . . . . . . . . . A . 6 C H3' . . . . . . . . . rr_1eka 1
. 1 . 176 . 1 1 6 C H4' H 2.760 5.592 7.860 . . . 1.0 . . . . . . . . . . . . A . 6 C H4' . . . . . . . . . rr_1eka 1
. 1 . 177 . 1 1 6 C H41 H 0.048 5.030 -0.475 . . . 1.0 . . . . . . . . . . . . A . 6 C H41 . . . . . . . . . rr_1eka 1
. 1 . 178 . 1 1 6 C H42 H -1.459 4.949 0.429 . . . 1.0 . . . . . . . . . . . . A . 6 C H42 . . . . . . . . . rr_1eka 1
. 1 . 179 . 1 1 6 C H5 H -1.509 5.068 2.896 . . . 1.0 . . . . . . . . . . . . A . 6 C H5 . . . . . . . . . rr_1eka 1
. 1 . 180 . 1 1 6 C H5' H 0.610 4.826 8.640 . . . 1.0 . . . . . . . . . . . . A . 6 C H5' . . . . . . . . . rr_1eka 1
. 1 . 181 . 1 1 6 C H5'' H 0.629 6.593 8.713 . . . 1.0 . . . . . . . . . . . . A . 6 C H5'' . . . . . . . . . rr_1eka 1
. 1 . 182 . 1 1 6 C H6 H -0.143 5.166 4.878 . . . 1.0 . . . . . . . . . . . . A . 6 C H6 . . . . . . . . . rr_1eka 1
. 1 . 183 . 1 1 6 C HO2' H 4.581 7.311 6.378 . . . 1.0 . . . . . . . . . . . . A . 6 C HO2' . . . . . . . . . rr_1eka 1
. 1 . 184 . 1 1 6 C N1 N 1.710 5.231 3.824 . . . 1.0 . . . . . . . . . . . . A . 6 C N1 . . . . . . . . . rr_1eka 1
. 1 . 185 . 1 1 6 C N3 N 1.563 5.208 1.442 . . . 1.0 . . . . . . . . . . . . A . 6 C N3 . . . . . . . . . rr_1eka 1
. 1 . 186 . 1 1 6 C N4 N -0.458 5.044 0.404 . . . 1.0 . . . . . . . . . . . . A . 6 C N4 . . . . . . . . . rr_1eka 1
. 1 . 187 . 1 1 6 C O2 O 3.551 5.341 2.451 . . . 1.0 . . . . . . . . . . . . A . 6 C O2 . . . . . . . . . rr_1eka 1
. 1 . 188 . 1 1 6 C O2' O 4.412 6.520 5.857 . . . 1.0 . . . . . . . . . . . . A . 6 C O2' . . . . . . . . . rr_1eka 1
. 1 . 189 . 1 1 6 C O3' O 2.692 8.061 7.318 . . . 1.0 . . . . . . . . . . . . A . 6 C O3' . . . . . . . . . rr_1eka 1
. 1 . 190 . 1 1 6 C O4' O 1.927 4.734 6.201 . . . 1.0 . . . . . . . . . . . . A . 6 C O4' . . . . . . . . . rr_1eka 1
. 1 . 191 . 1 1 6 C O5' O -0.521 5.786 7.214 . . . 1.0 . . . . . . . . . . . . A . 6 C O5' . . . . . . . . . rr_1eka 1
. 1 . 192 . 1 1 6 C OP1 O -2.049 6.382 9.113 . . . 1.0 . . . . . . . . . . . . A . 6 C OP1 . . . . . . . . . rr_1eka 1
. 1 . 193 . 1 1 6 C OP2 O -2.955 6.076 6.738 . . . 1.0 . . . . . . . . . . . . A . 6 C OP2 . . . . . . . . . rr_1eka 1
. 1 . 194 . 1 1 6 C P P -2.016 5.683 7.810 . . . 1.0 . . . . . . . . . . . . A . 6 C P . . . . . . . . . rr_1eka 1
. 1 . 195 . 1 1 7 U C1' C 5.298 9.323 2.305 . . . 1.0 . . . . . . . . . . . . A . 7 U C1' . . . . . . . . . rr_1eka 1
. 1 . 196 . 1 1 7 U C2 C 3.880 9.007 0.297 . . . 1.0 . . . . . . . . . . . . A . 7 U C2 . . . . . . . . . rr_1eka 1
. 1 . 197 . 1 1 7 U C2' C 5.717 10.793 2.331 . . . 1.0 . . . . . . . . . . . . A . 7 U C2' . . . . . . . . . rr_1eka 1
. 1 . 198 . 1 1 7 U C3' C 5.367 11.218 3.755 . . . 1.0 . . . . . . . . . . . . A . 7 U C3' . . . . . . . . . rr_1eka 1
. 1 . 199 . 1 1 7 U C4 C 1.466 8.528 0.482 . . . 1.0 . . . . . . . . . . . . A . 7 U C4 . . . . . . . . . rr_1eka 1
. 1 . 200 . 1 1 7 U C4' C 5.695 9.931 4.511 . . . 1.0 . . . . . . . . . . . . A . 7 U C4' . . . . . . . . . rr_1eka 1
. 1 . 201 . 1 1 7 U C5 C 1.602 8.777 1.904 . . . 1.0 . . . . . . . . . . . . A . 7 U C5 . . . . . . . . . rr_1eka 1
. 1 . 202 . 1 1 7 U C5' C 5.009 9.845 5.879 . . . 1.0 . . . . . . . . . . . . A . 7 U C5' . . . . . . . . . rr_1eka 1
. 1 . 203 . 1 1 7 U C6 C 2.807 9.077 2.454 . . . 1.0 . . . . . . . . . . . . A . 7 U C6 . . . . . . . . . rr_1eka 1
. 1 . 204 . 1 1 7 U H1' H 6.026 8.766 1.712 . . . 1.0 . . . . . . . . . . . . A . 7 U H1' . . . . . . . . . rr_1eka 1
. 1 . 205 . 1 1 7 U H2' H 5.185 11.386 1.591 . . . 1.0 . . . . . . . . . . . . A . 7 U H2' . . . . . . . . . rr_1eka 1
. 1 . 206 . 1 1 7 U H3 H 2.577 8.580 -1.236 . . . 1.0 . . . . . . . . . . . . A . 7 U H3 . . . . . . . . . rr_1eka 1
. 1 . 207 . 1 1 7 U H3' H 4.299 11.429 3.833 . . . 1.0 . . . . . . . . . . . . A . 7 U H3' . . . . . . . . . rr_1eka 1
. 1 . 208 . 1 1 7 U H4' H 6.772 9.898 4.663 . . . 1.0 . . . . . . . . . . . . A . 7 U H4' . . . . . . . . . rr_1eka 1
. 1 . 209 . 1 1 7 U H5 H 0.724 8.713 2.530 . . . 1.0 . . . . . . . . . . . . A . 7 U H5 . . . . . . . . . rr_1eka 1
. 1 . 210 . 1 1 7 U H5' H 5.359 8.955 6.400 . . . 1.0 . . . . . . . . . . . . A . 7 U H5' . . . . . . . . . rr_1eka 1
. 1 . 211 . 1 1 7 U H5'' H 5.277 10.724 6.468 . . . 1.0 . . . . . . . . . . . . A . 7 U H5'' . . . . . . . . . rr_1eka 1
. 1 . 212 . 1 1 7 U H6 H 2.874 9.255 3.516 . . . 1.0 . . . . . . . . . . . . A . 7 U H6 . . . . . . . . . rr_1eka 1
. 1 . 213 . 1 1 7 U HO2' H 7.420 11.675 2.538 . . . 1.0 . . . . . . . . . . . . A . 7 U HO2' . . . . . . . . . rr_1eka 1
. 1 . 214 . 1 1 7 U N1 N 3.952 9.138 1.689 . . . 1.0 . . . . . . . . . . . . A . 7 U N1 . . . . . . . . . rr_1eka 1
. 1 . 215 . 1 1 7 U N3 N 2.640 8.684 -0.232 . . . 1.0 . . . . . . . . . . . . A . 7 U N3 . . . . . . . . . rr_1eka 1
. 1 . 216 . 1 1 7 U O2 O 4.845 9.169 -0.447 . . . 1.0 . . . . . . . . . . . . A . 7 U O2 . . . . . . . . . rr_1eka 1
. 1 . 217 . 1 1 7 U O2' O 7.114 10.870 2.109 . . . 1.0 . . . . . . . . . . . . A . 7 U O2' . . . . . . . . . rr_1eka 1
. 1 . 218 . 1 1 7 U O3' O 6.154 12.313 4.201 . . . 1.0 . . . . . . . . . . . . A . 7 U O3' . . . . . . . . . rr_1eka 1
. 1 . 219 . 1 1 7 U O4 O 0.429 8.224 -0.099 . . . 1.0 . . . . . . . . . . . . A . 7 U O4 . . . . . . . . . rr_1eka 1
. 1 . 220 . 1 1 7 U O4' O 5.346 8.853 3.650 . . . 1.0 . . . . . . . . . . . . A . 7 U O4' . . . . . . . . . rr_1eka 1
. 1 . 221 . 1 1 7 U O5' O 3.605 9.792 5.723 . . . 1.0 . . . . . . . . . . . . A . 7 U O5' . . . . . . . . . rr_1eka 1
. 1 . 222 . 1 1 7 U OP1 O 3.172 10.381 8.121 . . . 1.0 . . . . . . . . . . . . A . 7 U OP1 . . . . . . . . . rr_1eka 1
. 1 . 223 . 1 1 7 U OP2 O 1.238 9.933 6.501 . . . 1.0 . . . . . . . . . . . . A . 7 U OP2 . . . . . . . . . rr_1eka 1
. 1 . 224 . 1 1 7 U P P 2.606 9.635 6.976 . . . 1.0 . . . . . . . . . . . . A . 7 U P . . . . . . . . . rr_1eka 1
. 1 . 225 . 1 1 8 C C1' C 5.352 13.351 -1.416 . . . 1.0 . . . . . . . . . . . . A . 8 C C1' . . . . . . . . . rr_1eka 1
. 1 . 226 . 1 1 8 C C2 C 3.311 12.286 -2.343 . . . 1.0 . . . . . . . . . . . . A . 8 C C2 . . . . . . . . . rr_1eka 1
. 1 . 227 . 1 1 8 C C2' C 5.216 14.867 -1.582 . . . 1.0 . . . . . . . . . . . . A . 8 C C2' . . . . . . . . . rr_1eka 1
. 1 . 228 . 1 1 8 C C3' C 5.608 15.357 -0.197 . . . 1.0 . . . . . . . . . . . . A . 8 C C3' . . . . . . . . . rr_1eka 1
. 1 . 229 . 1 1 8 C C4 C 1.466 11.783 -0.994 . . . 1.0 . . . . . . . . . . . . A . 8 C C4 . . . . . . . . . rr_1eka 1
. 1 . 230 . 1 1 8 C C4' C 6.691 14.347 0.180 . . . 1.0 . . . . . . . . . . . . A . 8 C C4' . . . . . . . . . rr_1eka 1
. 1 . 231 . 1 1 8 C C5 C 2.147 12.240 0.181 . . . 1.0 . . . . . . . . . . . . A . 8 C C5 . . . . . . . . . rr_1eka 1
. 1 . 232 . 1 1 8 C C5' C 6.964 14.276 1.685 . . . 1.0 . . . . . . . . . . . . A . 8 C C5' . . . . . . . . . rr_1eka 1
. 1 . 233 . 1 1 8 C C6 C 3.410 12.706 0.024 . . . 1.0 . . . . . . . . . . . . A . 8 C C6 . . . . . . . . . rr_1eka 1
. 1 . 234 . 1 1 8 C H1' H 5.810 12.952 -2.316 . . . 1.0 . . . . . . . . . . . . A . 8 C H1' . . . . . . . . . rr_1eka 1
. 1 . 235 . 1 1 8 C H2' H 4.194 15.161 -1.828 . . . 1.0 . . . . . . . . . . . . A . 8 C H2' . . . . . . . . . rr_1eka 1
. 1 . 236 . 1 1 8 C H3' H 4.744 15.230 0.450 . . . 1.0 . . . . . . . . . . . . A . 8 C H3' . . . . . . . . . rr_1eka 1
. 1 . 237 . 1 1 8 C H4' H 7.613 14.603 -0.343 . . . 1.0 . . . . . . . . . . . . A . 8 C H4' . . . . . . . . . rr_1eka 1
. 1 . 238 . 1 1 8 C H41 H -0.222 11.029 -1.784 . . . 1.0 . . . . . . . . . . . . A . 8 C H41 . . . . . . . . . rr_1eka 1
. 1 . 239 . 1 1 8 C H42 H -0.244 11.242 -0.036 . . . 1.0 . . . . . . . . . . . . A . 8 C H42 . . . . . . . . . rr_1eka 1
. 1 . 240 . 1 1 8 C H5 H 1.699 12.243 1.162 . . . 1.0 . . . . . . . . . . . . A . 8 C H5 . . . . . . . . . rr_1eka 1
. 1 . 241 . 1 1 8 C H5' H 7.693 13.492 1.885 . . . 1.0 . . . . . . . . . . . . A . 8 C H5' . . . . . . . . . rr_1eka 1
. 1 . 242 . 1 1 8 C H5'' H 7.368 15.230 2.024 . . . 1.0 . . . . . . . . . . . . A . 8 C H5'' . . . . . . . . . rr_1eka 1
. 1 . 243 . 1 1 8 C H6 H 3.941 13.077 0.888 . . . 1.0 . . . . . . . . . . . . A . 8 C H6 . . . . . . . . . rr_1eka 1
. 1 . 244 . 1 1 8 C HO2' H 6.324 16.242 -2.360 . . . 1.0 . . . . . . . . . . . . A . 8 C HO2' . . . . . . . . . rr_1eka 1
. 1 . 245 . 1 1 8 C HO3' H 6.178 16.975 0.722 . . . 1.0 . . . . . . . . . . . . A . 8 C HO3' . . . . . . . . . rr_1eka 1
. 1 . 246 . 1 1 8 C N1 N 4.015 12.722 -1.213 . . . 1.0 . . . . . . . . . . . . A . 8 C N1 . . . . . . . . . rr_1eka 1
. 1 . 247 . 1 1 8 C N3 N 2.041 11.823 -2.196 . . . 1.0 . . . . . . . . . . . . A . 8 C N3 . . . . . . . . . rr_1eka 1
. 1 . 248 . 1 1 8 C N4 N 0.224 11.326 -0.922 . . . 1.0 . . . . . . . . . . . . A . 8 C N4 . . . . . . . . . rr_1eka 1
. 1 . 249 . 1 1 8 C O2 O 3.806 12.334 -3.468 . . . 1.0 . . . . . . . . . . . . A . 8 C O2 . . . . . . . . . rr_1eka 1
. 1 . 250 . 1 1 8 C O2' O 6.124 15.324 -2.568 . . . 1.0 . . . . . . . . . . . . A . 8 C O2' . . . . . . . . . rr_1eka 1
. 1 . 251 . 1 1 8 C O3' O 6.043 16.706 -0.191 . . . 1.0 . . . . . . . . . . . . A . 8 C O3' . . . . . . . . . rr_1eka 1
. 1 . 252 . 1 1 8 C O4' O 6.218 13.105 -0.314 . . . 1.0 . . . . . . . . . . . . A . 8 C O4' . . . . . . . . . rr_1eka 1
. 1 . 253 . 1 1 8 C O5' O 5.756 14.005 2.371 . . . 1.0 . . . . . . . . . . . . A . 8 C O5' . . . . . . . . . rr_1eka 1
. 1 . 254 . 1 1 8 C OP1 O 6.715 14.729 4.564 . . . 1.0 . . . . . . . . . . . . A . 8 C OP1 . . . . . . . . . rr_1eka 1
. 1 . 255 . 1 1 8 C OP2 O 4.278 13.968 4.374 . . . 1.0 . . . . . . . . . . . . A . 8 C OP2 . . . . . . . . . rr_1eka 1
. 1 . 256 . 1 1 8 C P P 5.693 13.841 3.969 . . . 1.0 . . . . . . . . . . . . A . 8 C P . . . . . . . . . rr_1eka 1
. 1 . 257 . 2 1 1 G C1' C -1.670 12.342 -9.375 . . . 1.0 . . . . . . . . . . . . B . 1 G C1' . . . . . . . . . rr_1eka 1
. 1 . 258 . 2 1 1 G C2 C 1.173 12.207 -6.006 . . . 1.0 . . . . . . . . . . . . B . 1 G C2 . . . . . . . . . rr_1eka 1
. 1 . 259 . 2 1 1 G C2' C -0.610 11.597 -10.196 . . . 1.0 . . . . . . . . . . . . B . 1 G C2' . . . . . . . . . rr_1eka 1
. 1 . 260 . 2 1 1 G C3' C -1.447 10.431 -10.693 . . . 1.0 . . . . . . . . . . . . B . 1 G C3' . . . . . . . . . rr_1eka 1
. 1 . 261 . 2 1 1 G C4 C -0.821 11.854 -7.009 . . . 1.0 . . . . . . . . . . . . B . 1 G C4 . . . . . . . . . rr_1eka 1
. 1 . 262 . 2 1 1 G C4' C -2.771 11.120 -11.013 . . . 1.0 . . . . . . . . . . . . B . 1 G C4' . . . . . . . . . rr_1eka 1
. 1 . 263 . 2 1 1 G C5 C -1.411 11.365 -5.862 . . . 1.0 . . . . . . . . . . . . B . 1 G C5 . . . . . . . . . rr_1eka 1
. 1 . 264 . 2 1 1 G C5' C -3.979 10.171 -11.088 . . . 1.0 . . . . . . . . . . . . B . 1 G C5' . . . . . . . . . rr_1eka 1
. 1 . 265 . 2 1 1 G C6 C -0.649 11.313 -4.648 . . . 1.0 . . . . . . . . . . . . B . 1 G C6 . . . . . . . . . rr_1eka 1
. 1 . 266 . 2 1 1 G C8 C -2.890 11.263 -7.380 . . . 1.0 . . . . . . . . . . . . B . 1 G C8 . . . . . . . . . rr_1eka 1
. 1 . 267 . 2 1 1 G H1 H 1.255 11.717 -3.999 . . . 1.0 . . . . . . . . . . . . B . 1 G H1 . . . . . . . . . rr_1eka 1
. 1 . 268 . 2 1 1 G H1' H -1.420 13.403 -9.331 . . . 1.0 . . . . . . . . . . . . B . 1 G H1' . . . . . . . . . rr_1eka 1
. 1 . 269 . 2 1 1 G H2' H 0.228 11.253 -9.589 . . . 1.0 . . . . . . . . . . . . B . 1 G H2' . . . . . . . . . rr_1eka 1
. 1 . 270 . 2 1 1 G H21 H 3.013 12.461 -5.167 . . . 1.0 . . . . . . . . . . . . B . 1 G H21 . . . . . . . . . rr_1eka 1
. 1 . 271 . 2 1 1 G H22 H 2.855 12.887 -6.871 . . . 1.0 . . . . . . . . . . . . B . 1 G H22 . . . . . . . . . rr_1eka 1
. 1 . 272 . 2 1 1 G H3' H -1.563 9.741 -9.856 . . . 1.0 . . . . . . . . . . . . B . 1 G H3' . . . . . . . . . rr_1eka 1
. 1 . 273 . 2 1 1 G H4' H -2.670 11.612 -11.981 . . . 1.0 . . . . . . . . . . . . B . 1 G H4' . . . . . . . . . rr_1eka 1
. 1 . 274 . 2 1 1 G H5' H -4.896 10.750 -10.985 . . . 1.0 . . . . . . . . . . . . B . 1 G H5' . . . . . . . . . rr_1eka 1
. 1 . 275 . 2 1 1 G H5'' H -3.981 9.691 -12.067 . . . 1.0 . . . . . . . . . . . . B . 1 G H5'' . . . . . . . . . rr_1eka 1
. 1 . 276 . 2 1 1 G H8 H -3.821 11.084 -7.899 . . . 1.0 . . . . . . . . . . . . B . 1 G H8 . . . . . . . . . rr_1eka 1
. 1 . 277 . 2 1 1 G HO2' H 0.199 11.818 -11.937 . . . 1.0 . . . . . . . . . . . . B . 1 G HO2' . . . . . . . . . rr_1eka 1
. 1 . 278 . 2 1 1 G HO5' H -3.250 8.518 -10.346 . . . 1.0 . . . . . . . . . . . . B . 1 G HO5' . . . . . . . . . rr_1eka 1
. 1 . 279 . 2 1 1 G N1 N 0.659 11.752 -4.815 . . . 1.0 . . . . . . . . . . . . B . 1 G N1 . . . . . . . . . rr_1eka 1
. 1 . 280 . 2 1 1 G N2 N 2.452 12.558 -6.010 . . . 1.0 . . . . . . . . . . . . B . 1 G N2 . . . . . . . . . rr_1eka 1
. 1 . 281 . 2 1 1 G N3 N 0.464 12.299 -7.140 . . . 1.0 . . . . . . . . . . . . B . 1 G N3 . . . . . . . . . rr_1eka 1
. 1 . 282 . 2 1 1 G N7 N -2.728 10.993 -6.116 . . . 1.0 . . . . . . . . . . . . B . 1 G N7 . . . . . . . . . rr_1eka 1
. 1 . 283 . 2 1 1 G N9 N -1.788 11.814 -7.990 . . . 1.0 . . . . . . . . . . . . B . 1 G N9 . . . . . . . . . rr_1eka 1
. 1 . 284 . 2 1 1 G O2' O -0.153 12.409 -11.263 . . . 1.0 . . . . . . . . . . . . B . 1 G O2' . . . . . . . . . rr_1eka 1
. 1 . 285 . 2 1 1 G O3' O -0.906 9.783 -11.825 . . . 1.0 . . . . . . . . . . . . B . 1 G O3' . . . . . . . . . rr_1eka 1
. 1 . 286 . 2 1 1 G O4' O -2.918 12.145 -10.039 . . . 1.0 . . . . . . . . . . . . B . 1 G O4' . . . . . . . . . rr_1eka 1
. 1 . 287 . 2 1 1 G O5' O -3.948 9.154 -10.103 . . . 1.0 . . . . . . . . . . . . B . 1 G O5' . . . . . . . . . rr_1eka 1
. 1 . 288 . 2 1 1 G O6 O -1.006 10.945 -3.532 . . . 1.0 . . . . . . . . . . . . B . 1 G O6 . . . . . . . . . rr_1eka 1
. 1 . 289 . 2 1 2 A C1' C 3.052 9.374 -8.158 . . . 1.0 . . . . . . . . . . . . B . 2 A C1' . . . . . . . . . rr_1eka 1
. 1 . 290 . 2 1 2 A C2 C 3.337 9.075 -3.831 . . . 1.0 . . . . . . . . . . . . B . 2 A C2 . . . . . . . . . rr_1eka 1
. 1 . 291 . 2 1 2 A C2' C 3.999 8.205 -8.426 . . . 1.0 . . . . . . . . . . . . B . 2 A C2' . . . . . . . . . rr_1eka 1
. 1 . 292 . 2 1 2 A C3' C 3.344 7.544 -9.637 . . . 1.0 . . . . . . . . . . . . B . 2 A C3' . . . . . . . . . rr_1eka 1
. 1 . 293 . 2 1 2 A C4 C 2.284 8.924 -5.788 . . . 1.0 . . . . . . . . . . . . B . 2 A C4 . . . . . . . . . rr_1eka 1
. 1 . 294 . 2 1 2 A C4' C 2.900 8.796 -10.388 . . . 1.0 . . . . . . . . . . . . B . 2 A C4' . . . . . . . . . rr_1eka 1
. 1 . 295 . 2 1 2 A C5 C 1.116 8.495 -5.210 . . . 1.0 . . . . . . . . . . . . B . 2 A C5 . . . . . . . . . rr_1eka 1
. 1 . 296 . 2 1 2 A C5' C 1.855 8.558 -11.478 . . . 1.0 . . . . . . . . . . . . B . 2 A C5' . . . . . . . . . rr_1eka 1
. 1 . 297 . 2 1 2 A C6 C 1.146 8.371 -3.799 . . . 1.0 . . . . . . . . . . . . B . 2 A C6 . . . . . . . . . rr_1eka 1
. 1 . 298 . 2 1 2 A C8 C 0.744 8.586 -7.302 . . . 1.0 . . . . . . . . . . . . B . 2 A C8 . . . . . . . . . rr_1eka 1
. 1 . 299 . 2 1 2 A H1' H 3.625 10.221 -7.780 . . . 1.0 . . . . . . . . . . . . B . 2 A H1' . . . . . . . . . rr_1eka 1
. 1 . 300 . 2 1 2 A H2 H 4.221 9.302 -3.253 . . . 1.0 . . . . . . . . . . . . B . 2 A H2 . . . . . . . . . rr_1eka 1
. 1 . 301 . 2 1 2 A H2' H 4.061 7.522 -7.580 . . . 1.0 . . . . . . . . . . . . B . 2 A H2' . . . . . . . . . rr_1eka 1
. 1 . 302 . 2 1 2 A H3' H 2.465 6.974 -9.330 . . . 1.0 . . . . . . . . . . . . B . 2 A H3' . . . . . . . . . rr_1eka 1
. 1 . 303 . 2 1 2 A H4' H 3.782 9.233 -10.857 . . . 1.0 . . . . . . . . . . . . B . 2 A H4' . . . . . . . . . rr_1eka 1
. 1 . 304 . 2 1 2 A H5' H 1.685 9.507 -11.987 . . . 1.0 . . . . . . . . . . . . B . 2 A H5' . . . . . . . . . rr_1eka 1
. 1 . 305 . 2 1 2 A H5'' H 2.239 7.839 -12.202 . . . 1.0 . . . . . . . . . . . . B . 2 A H5'' . . . . . . . . . rr_1eka 1
. 1 . 306 . 2 1 2 A H61 H 0.208 7.936 -2.052 . . . 1.0 . . . . . . . . . . . . B . 2 A H61 . . . . . . . . . rr_1eka 1
. 1 . 307 . 2 1 2 A H62 H -0.761 7.755 -3.514 . . . 1.0 . . . . . . . . . . . . B . 2 A H62 . . . . . . . . . rr_1eka 1
. 1 . 308 . 2 1 2 A H8 H 0.264 8.524 -8.270 . . . 1.0 . . . . . . . . . . . . B . 2 A H8 . . . . . . . . . rr_1eka 1
. 1 . 309 . 2 1 2 A HO2' H 5.785 8.006 -9.128 . . . 1.0 . . . . . . . . . . . . B . 2 A HO2' . . . . . . . . . rr_1eka 1
. 1 . 310 . 2 1 2 A N1 N 2.278 8.670 -3.136 . . . 1.0 . . . . . . . . . . . . B . 2 A N1 . . . . . . . . . rr_1eka 1
. 1 . 311 . 2 1 2 A N3 N 3.445 9.236 -5.147 . . . 1.0 . . . . . . . . . . . . B . 2 A N3 . . . . . . . . . rr_1eka 1
. 1 . 312 . 2 1 2 A N6 N 0.109 7.985 -3.059 . . . 1.0 . . . . . . . . . . . . B . 2 A N6 . . . . . . . . . rr_1eka 1
. 1 . 313 . 2 1 2 A N7 N 0.138 8.288 -6.185 . . . 1.0 . . . . . . . . . . . . B . 2 A N7 . . . . . . . . . rr_1eka 1
. 1 . 314 . 2 1 2 A N9 N 2.049 8.986 -7.141 . . . 1.0 . . . . . . . . . . . . B . 2 A N9 . . . . . . . . . rr_1eka 1
. 1 . 315 . 2 1 2 A O2' O 5.280 8.724 -8.737 . . . 1.0 . . . . . . . . . . . . B . 2 A O2' . . . . . . . . . rr_1eka 1
. 1 . 316 . 2 1 2 A O3' O 4.251 6.745 -10.380 . . . 1.0 . . . . . . . . . . . . B . 2 A O3' . . . . . . . . . rr_1eka 1
. 1 . 317 . 2 1 2 A O4' O 2.432 9.702 -9.396 . . . 1.0 . . . . . . . . . . . . B . 2 A O4' . . . . . . . . . rr_1eka 1
. 1 . 318 . 2 1 2 A O5' O 0.628 8.083 -10.951 . . . 1.0 . . . . . . . . . . . . B . 2 A O5' . . . . . . . . . rr_1eka 1
. 1 . 319 . 2 1 2 A OP1 O -0.436 7.756 -13.212 . . . 1.0 . . . . . . . . . . . . B . 2 A OP1 . . . . . . . . . rr_1eka 1
. 1 . 320 . 2 1 2 A OP2 O -1.852 7.599 -11.072 . . . 1.0 . . . . . . . . . . . . B . 2 A OP2 . . . . . . . . . rr_1eka 1
. 1 . 321 . 2 1 2 A P P -0.720 8.188 -11.827 . . . 1.0 . . . . . . . . . . . . B . 2 A P . . . . . . . . . rr_1eka 1
. 1 . 322 . 2 1 3 G C1' C 6.196 6.342 -5.059 . . . 1.0 . . . . . . . . . . . . B . 3 G C1' . . . . . . . . . rr_1eka 1
. 1 . 323 . 2 1 3 G C2 C 4.405 5.827 -1.119 . . . 1.0 . . . . . . . . . . . . B . 3 G C2 . . . . . . . . . rr_1eka 1
. 1 . 324 . 2 1 3 G C2' C 7.128 5.147 -4.879 . . . 1.0 . . . . . . . . . . . . B . 3 G C2' . . . . . . . . . rr_1eka 1
. 1 . 325 . 2 1 3 G C3' C 7.150 4.535 -6.278 . . . 1.0 . . . . . . . . . . . . B . 3 G C3' . . . . . . . . . rr_1eka 1
. 1 . 326 . 2 1 3 G C4 C 4.365 5.850 -3.377 . . . 1.0 . . . . . . . . . . . . B . 3 G C4 . . . . . . . . . rr_1eka 1
. 1 . 327 . 2 1 3 G C4' C 7.130 5.814 -7.114 . . . 1.0 . . . . . . . . . . . . B . 3 G C4' . . . . . . . . . rr_1eka 1
. 1 . 328 . 2 1 3 G C5 C 3.033 5.506 -3.451 . . . 1.0 . . . . . . . . . . . . B . 3 G C5 . . . . . . . . . rr_1eka 1
. 1 . 329 . 2 1 3 G C5' C 6.678 5.609 -8.562 . . . 1.0 . . . . . . . . . . . . B . 3 G C5' . . . . . . . . . rr_1eka 1
. 1 . 330 . 2 1 3 G C6 C 2.291 5.325 -2.235 . . . 1.0 . . . . . . . . . . . . B . 3 G C6 . . . . . . . . . rr_1eka 1
. 1 . 331 . 2 1 3 G C8 C 3.732 5.659 -5.457 . . . 1.0 . . . . . . . . . . . . B . 3 G C8 . . . . . . . . . rr_1eka 1
. 1 . 332 . 2 1 3 G H1 H 2.611 5.366 -0.207 . . . 1.0 . . . . . . . . . . . . B . 3 G H1 . . . . . . . . . rr_1eka 1
. 1 . 333 . 2 1 3 G H1' H 6.529 7.156 -4.415 . . . 1.0 . . . . . . . . . . . . B . 3 G H1' . . . . . . . . . rr_1eka 1
. 1 . 334 . 2 1 3 G H2' H 6.749 4.441 -4.144 . . . 1.0 . . . . . . . . . . . . B . 3 G H2' . . . . . . . . . rr_1eka 1
. 1 . 335 . 2 1 3 G H21 H 4.528 5.714 0.917 . . . 1.0 . . . . . . . . . . . . B . 3 G H21 . . . . . . . . . rr_1eka 1
. 1 . 336 . 2 1 3 G H22 H 6.002 6.148 0.048 . . . 1.0 . . . . . . . . . . . . B . 3 G H22 . . . . . . . . . rr_1eka 1
. 1 . 337 . 2 1 3 G H3' H 6.240 3.960 -6.458 . . . 1.0 . . . . . . . . . . . . B . 3 G H3' . . . . . . . . . rr_1eka 1
. 1 . 338 . 2 1 3 G H4' H 8.140 6.225 -7.122 . . . 1.0 . . . . . . . . . . . . B . 3 G H4' . . . . . . . . . rr_1eka 1
. 1 . 339 . 2 1 3 G H5' H 6.846 6.531 -9.117 . . . 1.0 . . . . . . . . . . . . B . 3 G H5' . . . . . . . . . rr_1eka 1
. 1 . 340 . 2 1 3 G H5'' H 7.271 4.815 -9.018 . . . 1.0 . . . . . . . . . . . . B . 3 G H5'' . . . . . . . . . rr_1eka 1
. 1 . 341 . 2 1 3 G H8 H 3.771 5.642 -6.537 . . . 1.0 . . . . . . . . . . . . B . 3 G H8 . . . . . . . . . rr_1eka 1
. 1 . 342 . 2 1 3 G HO2' H 9.047 4.964 -4.811 . . . 1.0 . . . . . . . . . . . . B . 3 G HO2' . . . . . . . . . rr_1eka 1
. 1 . 343 . 2 1 3 G N1 N 3.070 5.503 -1.097 . . . 1.0 . . . . . . . . . . . . B . 3 G N1 . . . . . . . . . rr_1eka 1
. 1 . 344 . 2 1 3 G N2 N 5.026 5.902 0.050 . . . 1.0 . . . . . . . . . . . . B . 3 G N2 . . . . . . . . . rr_1eka 1
. 1 . 345 . 2 1 3 G N3 N 5.105 6.028 -2.243 . . . 1.0 . . . . . . . . . . . . B . 3 G N3 . . . . . . . . . rr_1eka 1
. 1 . 346 . 2 1 3 G N7 N 2.646 5.389 -4.785 . . . 1.0 . . . . . . . . . . . . B . 3 G N7 . . . . . . . . . rr_1eka 1
. 1 . 347 . 2 1 3 G N9 N 4.814 5.971 -4.671 . . . 1.0 . . . . . . . . . . . . B . 3 G N9 . . . . . . . . . rr_1eka 1
. 1 . 348 . 2 1 3 G O2' O 8.411 5.618 -4.505 . . . 1.0 . . . . . . . . . . . . B . 3 G O2' . . . . . . . . . rr_1eka 1
. 1 . 349 . 2 1 3 G O3' O 8.319 3.755 -6.479 . . . 1.0 . . . . . . . . . . . . B . 3 G O3' . . . . . . . . . rr_1eka 1
. 1 . 350 . 2 1 3 G O4' O 6.282 6.727 -6.426 . . . 1.0 . . . . . . . . . . . . B . 3 G O4' . . . . . . . . . rr_1eka 1
. 1 . 351 . 2 1 3 G O5' O 5.305 5.267 -8.616 . . . 1.0 . . . . . . . . . . . . B . 3 G O5' . . . . . . . . . rr_1eka 1
. 1 . 352 . 2 1 3 G O6 O 1.108 5.034 -2.084 . . . 1.0 . . . . . . . . . . . . B . 3 G O6 . . . . . . . . . rr_1eka 1
. 1 . 353 . 2 1 3 G OP1 O 5.419 4.637 -11.042 . . . 1.0 . . . . . . . . . . . . B . 3 G OP1 . . . . . . . . . rr_1eka 1
. 1 . 354 . 2 1 3 G OP2 O 3.200 4.554 -9.767 . . . 1.0 . . . . . . . . . . . . B . 3 G OP2 . . . . . . . . . rr_1eka 1
. 1 . 355 . 2 1 3 G P P 4.509 5.193 -10.017 . . . 1.0 . . . . . . . . . . . . B . 3 G P . . . . . . . . . rr_1eka 1
. 1 . 356 . 2 1 4 U C1' C 6.314 2.707 -1.217 . . . 1.0 . . . . . . . . . . . . B . 4 U C1' . . . . . . . . . rr_1eka 1
. 1 . 357 . 2 1 4 U C2 C 3.881 2.332 -1.025 . . . 1.0 . . . . . . . . . . . . B . 4 U C2 . . . . . . . . . rr_1eka 1
. 1 . 358 . 2 1 4 U C2' C 6.863 1.391 -0.664 . . . 1.0 . . . . . . . . . . . . B . 4 U C2' . . . . . . . . . rr_1eka 1
. 1 . 359 . 2 1 4 U C3' C 7.818 0.957 -1.773 . . . 1.0 . . . . . . . . . . . . B . 4 U C3' . . . . . . . . . rr_1eka 1
. 1 . 360 . 2 1 4 U C4 C 2.452 1.914 -2.991 . . . 1.0 . . . . . . . . . . . . B . 4 U C4 . . . . . . . . . rr_1eka 1
. 1 . 361 . 2 1 4 U C4' C 8.382 2.309 -2.203 . . . 1.0 . . . . . . . . . . . . B . 4 U C4' . . . . . . . . . rr_1eka 1
. 1 . 362 . 2 1 4 U C5 C 3.646 2.082 -3.796 . . . 1.0 . . . . . . . . . . . . B . 4 U C5 . . . . . . . . . rr_1eka 1
. 1 . 363 . 2 1 4 U C5' C 9.007 2.321 -3.604 . . . 1.0 . . . . . . . . . . . . B . 4 U C5' . . . . . . . . . rr_1eka 1
. 1 . 364 . 2 1 4 U C6 C 4.852 2.346 -3.233 . . . 1.0 . . . . . . . . . . . . B . 4 U C6 . . . . . . . . . rr_1eka 1
. 1 . 365 . 2 1 4 U H1' H 6.176 3.406 -0.390 . . . 1.0 . . . . . . . . . . . . B . 4 U H1' . . . . . . . . . rr_1eka 1
. 1 . 366 . 2 1 4 U H2' H 6.076 0.654 -0.514 . . . 1.0 . . . . . . . . . . . . B . 4 U H2' . . . . . . . . . rr_1eka 1
. 1 . 367 . 2 1 4 U H3 H 1.841 1.950 -1.044 . . . 1.0 . . . . . . . . . . . . B . 4 U H3 . . . . . . . . . rr_1eka 1
. 1 . 368 . 2 1 4 U H3' H 7.248 0.533 -2.601 . . . 1.0 . . . . . . . . . . . . B . 4 U H3' . . . . . . . . . rr_1eka 1
. 1 . 369 . 2 1 4 U H4' H 9.144 2.598 -1.479 . . . 1.0 . . . . . . . . . . . . B . 4 U H4' . . . . . . . . . rr_1eka 1
. 1 . 370 . 2 1 4 U H5 H 3.562 1.990 -4.869 . . . 1.0 . . . . . . . . . . . . B . 4 U H5 . . . . . . . . . rr_1eka 1
. 1 . 371 . 2 1 4 U H5' H 9.458 3.296 -3.779 . . . 1.0 . . . . . . . . . . . . B . 4 U H5' . . . . . . . . . rr_1eka 1
. 1 . 372 . 2 1 4 U H5'' H 9.785 1.559 -3.658 . . . 1.0 . . . . . . . . . . . . B . 4 U H5'' . . . . . . . . . rr_1eka 1
. 1 . 373 . 2 1 4 U H6 H 5.713 2.453 -3.876 . . . 1.0 . . . . . . . . . . . . B . 4 U H6 . . . . . . . . . rr_1eka 1
. 1 . 374 . 2 1 4 U HO2' H 7.729 0.813 0.968 . . . 1.0 . . . . . . . . . . . . B . 4 U HO2' . . . . . . . . . rr_1eka 1
. 1 . 375 . 2 1 4 U N1 N 4.990 2.473 -1.867 . . . 1.0 . . . . . . . . . . . . B . 4 U N1 . . . . . . . . . rr_1eka 1
. 1 . 376 . 2 1 4 U N3 N 2.660 2.053 -1.628 . . . 1.0 . . . . . . . . . . . . B . 4 U N3 . . . . . . . . . rr_1eka 1
. 1 . 377 . 2 1 4 U O2 O 3.959 2.449 0.197 . . . 1.0 . . . . . . . . . . . . B . 4 U O2 . . . . . . . . . rr_1eka 1
. 1 . 378 . 2 1 4 U O2' O 7.522 1.660 0.559 . . . 1.0 . . . . . . . . . . . . B . 4 U O2' . . . . . . . . . rr_1eka 1
. 1 . 379 . 2 1 4 U O3' O 8.825 0.057 -1.337 . . . 1.0 . . . . . . . . . . . . B . 4 U O3' . . . . . . . . . rr_1eka 1
. 1 . 380 . 2 1 4 U O4 O 1.332 1.667 -3.423 . . . 1.0 . . . . . . . . . . . . B . 4 U O4 . . . . . . . . . rr_1eka 1
. 1 . 381 . 2 1 4 U O4' O 7.301 3.228 -2.102 . . . 1.0 . . . . . . . . . . . . B . 4 U O4' . . . . . . . . . rr_1eka 1
. 1 . 382 . 2 1 4 U O5' O 8.026 2.065 -4.593 . . . 1.0 . . . . . . . . . . . . B . 4 U O5' . . . . . . . . . rr_1eka 1
. 1 . 383 . 2 1 4 U OP1 O 9.727 1.693 -6.400 . . . 1.0 . . . . . . . . . . . . B . 4 U OP1 . . . . . . . . . rr_1eka 1
. 1 . 384 . 2 1 4 U OP2 O 7.221 1.549 -6.902 . . . 1.0 . . . . . . . . . . . . B . 4 U OP2 . . . . . . . . . rr_1eka 1
. 1 . 385 . 2 1 4 U P P 8.346 2.169 -6.171 . . . 1.0 . . . . . . . . . . . . B . 4 U P . . . . . . . . . rr_1eka 1
. 1 . 386 . 2 1 5 G C1' C 5.335 -0.878 3.047 . . . 1.0 . . . . . . . . . . . . B . 5 G C1' . . . . . . . . . rr_1eka 1
. 1 . 387 . 2 1 5 G C2 C 1.070 -1.592 3.576 . . . 1.0 . . . . . . . . . . . . B . 5 G C2 . . . . . . . . . rr_1eka 1
. 1 . 388 . 2 1 5 G C2' C 5.701 -2.151 3.802 . . . 1.0 . . . . . . . . . . . . B . 5 G C2' . . . . . . . . . rr_1eka 1
. 1 . 389 . 2 1 5 G C3' C 6.876 -2.678 2.983 . . . 1.0 . . . . . . . . . . . . B . 5 G C3' . . . . . . . . . rr_1eka 1
. 1 . 390 . 2 1 5 G C4 C 2.945 -1.349 2.346 . . . 1.0 . . . . . . . . . . . . B . 5 G C4 . . . . . . . . . rr_1eka 1
. 1 . 391 . 2 1 5 G C4' C 7.568 -1.356 2.652 . . . 1.0 . . . . . . . . . . . . B . 5 G C4' . . . . . . . . . rr_1eka 1
. 1 . 392 . 2 1 5 G C5 C 2.291 -1.506 1.142 . . . 1.0 . . . . . . . . . . . . B . 5 G C5 . . . . . . . . . rr_1eka 1
. 1 . 393 . 2 1 5 G C5' C 8.525 -1.423 1.459 . . . 1.0 . . . . . . . . . . . . B . 5 G C5' . . . . . . . . . rr_1eka 1
. 1 . 394 . 2 1 5 G C6 C 0.870 -1.716 1.145 . . . 1.0 . . . . . . . . . . . . B . 5 G C6 . . . . . . . . . rr_1eka 1
. 1 . 395 . 2 1 5 G C8 C 4.354 -1.263 0.683 . . . 1.0 . . . . . . . . . . . . B . 5 G C8 . . . . . . . . . rr_1eka 1
. 1 . 396 . 2 1 5 G H1 H -0.651 -1.916 2.507 . . . 1.0 . . . . . . . . . . . . B . 5 G H1 . . . . . . . . . rr_1eka 1
. 1 . 397 . 2 1 5 G H1' H 4.956 -0.145 3.758 . . . 1.0 . . . . . . . . . . . . B . 5 G H1' . . . . . . . . . rr_1eka 1
. 1 . 398 . 2 1 5 G H2' H 4.879 -2.864 3.835 . . . 1.0 . . . . . . . . . . . . B . 5 G H2' . . . . . . . . . rr_1eka 1
. 1 . 399 . 2 1 5 G H21 H -0.588 -1.896 4.710 . . . 1.0 . . . . . . . . . . . . B . 5 G H21 . . . . . . . . . rr_1eka 1
. 1 . 400 . 2 1 5 G H22 H 0.918 -1.590 5.577 . . . 1.0 . . . . . . . . . . . . B . 5 G H22 . . . . . . . . . rr_1eka 1
. 1 . 401 . 2 1 5 G H3' H 6.520 -3.148 2.064 . . . 1.0 . . . . . . . . . . . . B . 5 G H3' . . . . . . . . . rr_1eka 1
. 1 . 402 . 2 1 5 G H4' H 8.136 -1.047 3.531 . . . 1.0 . . . . . . . . . . . . B . 5 G H4' . . . . . . . . . rr_1eka 1
. 1 . 403 . 2 1 5 G H5' H 9.093 -0.494 1.409 . . . 1.0 . . . . . . . . . . . . B . 5 G H5' . . . . . . . . . rr_1eka 1
. 1 . 404 . 2 1 5 G H5'' H 9.222 -2.251 1.598 . . . 1.0 . . . . . . . . . . . . B . 5 G H5'' . . . . . . . . . rr_1eka 1
. 1 . 405 . 2 1 5 G H8 H 5.286 -1.198 0.141 . . . 1.0 . . . . . . . . . . . . B . 5 G H8 . . . . . . . . . rr_1eka 1
. 1 . 406 . 2 1 5 G HO2' H 6.699 -2.479 5.420 . . . 1.0 . . . . . . . . . . . . B . 5 G HO2' . . . . . . . . . rr_1eka 1
. 1 . 407 . 2 1 5 G N1 N 0.339 -1.738 2.426 . . . 1.0 . . . . . . . . . . . . B . 5 G N1 . . . . . . . . . rr_1eka 1
. 1 . 408 . 2 1 5 G N2 N 0.403 -1.697 4.718 . . . 1.0 . . . . . . . . . . . . B . 5 G N2 . . . . . . . . . rr_1eka 1
. 1 . 409 . 2 1 5 G N3 N 2.392 -1.383 3.594 . . . 1.0 . . . . . . . . . . . . B . 5 G N3 . . . . . . . . . rr_1eka 1
. 1 . 410 . 2 1 5 G N7 N 3.206 -1.452 0.092 . . . 1.0 . . . . . . . . . . . . B . 5 G N7 . . . . . . . . . rr_1eka 1
. 1 . 411 . 2 1 5 G N9 N 4.273 -1.152 2.049 . . . 1.0 . . . . . . . . . . . . B . 5 G N9 . . . . . . . . . rr_1eka 1
. 1 . 412 . 2 1 5 G O2' O 6.102 -1.790 5.112 . . . 1.0 . . . . . . . . . . . . B . 5 G O2' . . . . . . . . . rr_1eka 1
. 1 . 413 . 2 1 5 G O3' O 7.688 -3.557 3.744 . . . 1.0 . . . . . . . . . . . . B . 5 G O3' . . . . . . . . . rr_1eka 1
. 1 . 414 . 2 1 5 G O4' O 6.530 -0.406 2.434 . . . 1.0 . . . . . . . . . . . . B . 5 G O4' . . . . . . . . . rr_1eka 1
. 1 . 415 . 2 1 5 G O5' O 7.808 -1.601 0.252 . . . 1.0 . . . . . . . . . . . . B . 5 G O5' . . . . . . . . . rr_1eka 1
. 1 . 416 . 2 1 5 G O6 O 0.101 -1.886 0.203 . . . 1.0 . . . . . . . . . . . . B . 5 G O6 . . . . . . . . . rr_1eka 1
. 1 . 417 . 2 1 5 G OP1 O 9.852 -2.211 -1.069 . . . 1.0 . . . . . . . . . . . . B . 5 G OP1 . . . . . . . . . rr_1eka 1
. 1 . 418 . 2 1 5 G OP2 O 7.576 -1.940 -2.216 . . . 1.0 . . . . . . . . . . . . B . 5 G OP2 . . . . . . . . . rr_1eka 1
. 1 . 419 . 2 1 5 G P P 8.546 -1.525 -1.180 . . . 1.0 . . . . . . . . . . . . B . 5 G P . . . . . . . . . rr_1eka 1
. 1 . 420 . 2 1 6 C C1' C 2.252 -4.693 5.434 . . . 1.0 . . . . . . . . . . . . B . 6 C C1' . . . . . . . . . rr_1eka 1
. 1 . 421 . 2 1 6 C C2 C 0.554 -5.027 3.650 . . . 1.0 . . . . . . . . . . . . B . 6 C C2 . . . . . . . . . rr_1eka 1
. 1 . 422 . 2 1 6 C C2' C 2.217 -6.022 6.189 . . . 1.0 . . . . . . . . . . . . B . 6 C C2' . . . . . . . . . rr_1eka 1
. 1 . 423 . 2 1 6 C C3' C 3.685 -6.440 6.183 . . . 1.0 . . . . . . . . . . . . B . 6 C C3' . . . . . . . . . rr_1eka 1
. 1 . 424 . 2 1 6 C C4 C 1.133 -5.102 1.384 . . . 1.0 . . . . . . . . . . . . B . 6 C C4 . . . . . . . . . rr_1eka 1
. 1 . 425 . 2 1 6 C C4' C 4.346 -5.077 6.369 . . . 1.0 . . . . . . . . . . . . B . 6 C C4' . . . . . . . . . rr_1eka 1
. 1 . 426 . 2 1 6 C C5 C 2.526 -4.974 1.694 . . . 1.0 . . . . . . . . . . . . B . 6 C C5 . . . . . . . . . rr_1eka 1
. 1 . 427 . 2 1 6 C C5' C 5.823 -5.053 5.959 . . . 1.0 . . . . . . . . . . . . B . 6 C C5' . . . . . . . . . rr_1eka 1
. 1 . 428 . 2 1 6 C C6 C 2.866 -4.870 3.002 . . . 1.0 . . . . . . . . . . . . B . 6 C C6 . . . . . . . . . rr_1eka 1
. 1 . 429 . 2 1 6 C H1' H 1.518 -4.021 5.880 . . . 1.0 . . . . . . . . . . . . B . 6 C H1' . . . . . . . . . rr_1eka 1
. 1 . 430 . 2 1 6 C H2' H 1.585 -6.761 5.700 . . . 1.0 . . . . . . . . . . . . B . 6 C H2' . . . . . . . . . rr_1eka 1
. 1 . 431 . 2 1 6 C H3' H 3.958 -6.849 5.209 . . . 1.0 . . . . . . . . . . . . B . 6 C H3' . . . . . . . . . rr_1eka 1
. 1 . 432 . 2 1 6 C H4' H 4.278 -4.811 7.425 . . . 1.0 . . . . . . . . . . . . B . 6 C H4' . . . . . . . . . rr_1eka 1
. 1 . 433 . 2 1 6 C H41 H -0.266 -5.246 -0.063 . . . 1.0 . . . . . . . . . . . . B . 6 C H41 . . . . . . . . . rr_1eka 1
. 1 . 434 . 2 1 6 C H42 H 1.396 -5.121 -0.627 . . . 1.0 . . . . . . . . . . . . B . 6 C H42 . . . . . . . . . rr_1eka 1
. 1 . 435 . 2 1 6 C H5 H 3.297 -4.950 0.938 . . . 1.0 . . . . . . . . . . . . B . 6 C H5 . . . . . . . . . rr_1eka 1
. 1 . 436 . 2 1 6 C H5' H 6.255 -4.097 6.248 . . . 1.0 . . . . . . . . . . . . B . 6 C H5' . . . . . . . . . rr_1eka 1
. 1 . 437 . 2 1 6 C H5'' H 6.354 -5.847 6.485 . . . 1.0 . . . . . . . . . . . . B . 6 C H5'' . . . . . . . . . rr_1eka 1
. 1 . 438 . 2 1 6 C H6 H 3.910 -4.767 3.260 . . . 1.0 . . . . . . . . . . . . B . 6 C H6 . . . . . . . . . rr_1eka 1
. 1 . 439 . 2 1 6 C HO2' H 2.090 -6.488 8.056 . . . 1.0 . . . . . . . . . . . . B . 6 C HO2' . . . . . . . . . rr_1eka 1
. 1 . 440 . 2 1 6 C N1 N 1.907 -4.880 3.991 . . . 1.0 . . . . . . . . . . . . B . 6 C N1 . . . . . . . . . rr_1eka 1
. 1 . 441 . 2 1 6 C N3 N 0.202 -5.131 2.340 . . . 1.0 . . . . . . . . . . . . B . 6 C N3 . . . . . . . . . rr_1eka 1
. 1 . 442 . 2 1 6 C N4 N 0.729 -5.177 0.124 . . . 1.0 . . . . . . . . . . . . B . 6 C N4 . . . . . . . . . rr_1eka 1
. 1 . 443 . 2 1 6 C O2 O -0.326 -5.061 4.510 . . . 1.0 . . . . . . . . . . . . B . 6 C O2 . . . . . . . . . rr_1eka 1
. 1 . 444 . 2 1 6 C O2' O 1.758 -5.773 7.505 . . . 1.0 . . . . . . . . . . . . B . 6 C O2' . . . . . . . . . rr_1eka 1
. 1 . 445 . 2 1 6 C O3' O 4.002 -7.337 7.237 . . . 1.0 . . . . . . . . . . . . B . 6 C O3' . . . . . . . . . rr_1eka 1
. 1 . 446 . 2 1 6 C O4' O 3.558 -4.152 5.626 . . . 1.0 . . . . . . . . . . . . B . 6 C O4' . . . . . . . . . rr_1eka 1
. 1 . 447 . 2 1 6 C O5' O 5.959 -5.239 4.562 . . . 1.0 . . . . . . . . . . . . B . 6 C O5' . . . . . . . . . rr_1eka 1
. 1 . 448 . 2 1 6 C OP1 O 8.410 -5.753 4.695 . . . 1.0 . . . . . . . . . . . . B . 6 C OP1 . . . . . . . . . rr_1eka 1
. 1 . 449 . 2 1 6 C OP2 O 7.210 -5.638 2.437 . . . 1.0 . . . . . . . . . . . . B . 6 C OP2 . . . . . . . . . rr_1eka 1
. 1 . 450 . 2 1 6 C P P 7.387 -5.143 3.818 . . . 1.0 . . . . . . . . . . . . B . 6 C P . . . . . . . . . rr_1eka 1
. 1 . 451 . 2 1 7 U C1' C -1.468 -8.805 6.043 . . . 1.0 . . . . . . . . . . . . B . 7 U C1' . . . . . . . . . rr_1eka 1
. 1 . 452 . 2 1 7 U C2 C -2.064 -8.856 3.638 . . . 1.0 . . . . . . . . . . . . B . 7 U C2 . . . . . . . . . rr_1eka 1
. 1 . 453 . 2 1 7 U C2' C -1.729 -10.215 6.570 . . . 1.0 . . . . . . . . . . . . B . 7 U C2' . . . . . . . . . rr_1eka 1
. 1 . 454 . 2 1 7 U C3' C -0.398 -10.569 7.229 . . . 1.0 . . . . . . . . . . . . B . 7 U C3' . . . . . . . . . rr_1eka 1
. 1 . 455 . 2 1 7 U C4 C -0.367 -8.519 1.878 . . . 1.0 . . . . . . . . . . . . B . 7 U C4 . . . . . . . . . rr_1eka 1
. 1 . 456 . 2 1 7 U C4' C -0.042 -9.211 7.831 . . . 1.0 . . . . . . . . . . . . B . 7 U C4' . . . . . . . . . rr_1eka 1
. 1 . 457 . 2 1 7 U C5 C 0.627 -8.576 2.931 . . . 1.0 . . . . . . . . . . . . B . 7 U C5 . . . . . . . . . rr_1eka 1
. 1 . 458 . 2 1 7 U C5' C 1.439 -9.072 8.195 . . . 1.0 . . . . . . . . . . . . B . 7 U C5' . . . . . . . . . rr_1eka 1
. 1 . 459 . 2 1 7 U C6 C 0.268 -8.724 4.233 . . . 1.0 . . . . . . . . . . . . B . 7 U C6 . . . . . . . . . rr_1eka 1
. 1 . 460 . 2 1 7 U H1' H -2.390 -8.232 6.130 . . . 1.0 . . . . . . . . . . . . B . 7 U H1' . . . . . . . . . rr_1eka 1
. 1 . 461 . 2 1 7 U H2' H -1.989 -10.908 5.776 . . . 1.0 . . . . . . . . . . . . B . 7 U H2' . . . . . . . . . rr_1eka 1
. 1 . 462 . 2 1 7 U H3 H -2.388 -8.701 1.613 . . . 1.0 . . . . . . . . . . . . B . 7 U H3 . . . . . . . . . rr_1eka 1
. 1 . 463 . 2 1 7 U H3' H 0.339 -10.841 6.470 . . . 1.0 . . . . . . . . . . . . B . 7 U H3' . . . . . . . . . rr_1eka 1
. 1 . 464 . 2 1 7 U H4' H -0.631 -9.079 8.736 . . . 1.0 . . . . . . . . . . . . B . 7 U H4' . . . . . . . . . rr_1eka 1
. 1 . 465 . 2 1 7 U H5 H 1.671 -8.490 2.667 . . . 1.0 . . . . . . . . . . . . B . 7 U H5 . . . . . . . . . rr_1eka 1
. 1 . 466 . 2 1 7 U H5' H 1.596 -8.119 8.698 . . . 1.0 . . . . . . . . . . . . B . 7 U H5' . . . . . . . . . rr_1eka 1
. 1 . 467 . 2 1 7 U H5'' H 1.717 -9.877 8.877 . . . 1.0 . . . . . . . . . . . . B . 7 U H5'' . . . . . . . . . rr_1eka 1
. 1 . 468 . 2 1 7 U H6 H 1.036 -8.760 4.990 . . . 1.0 . . . . . . . . . . . . B . 7 U H6 . . . . . . . . . rr_1eka 1
. 1 . 469 . 2 1 7 U HO2' H -2.637 -10.893 8.133 . . . 1.0 . . . . . . . . . . . . B . 7 U HO2' . . . . . . . . . rr_1eka 1
. 1 . 470 . 2 1 7 U N1 N -1.055 -8.812 4.608 . . . 1.0 . . . . . . . . . . . . B . 7 U N1 . . . . . . . . . rr_1eka 1
. 1 . 471 . 2 1 7 U N3 N -1.667 -8.683 2.321 . . . 1.0 . . . . . . . . . . . . B . 7 U N3 . . . . . . . . . rr_1eka 1
. 1 . 472 . 2 1 7 U O2 O -3.250 -9.043 3.904 . . . 1.0 . . . . . . . . . . . . B . 7 U O2 . . . . . . . . . rr_1eka 1
. 1 . 473 . 2 1 7 U O2' O -2.771 -10.157 7.529 . . . 1.0 . . . . . . . . . . . . B . 7 U O2' . . . . . . . . . rr_1eka 1
. 1 . 474 . 2 1 7 U O3' O -0.534 -11.582 8.214 . . . 1.0 . . . . . . . . . . . . B . 7 U O3' . . . . . . . . . rr_1eka 1
. 1 . 475 . 2 1 7 U O4 O -0.139 -8.362 0.683 . . . 1.0 . . . . . . . . . . . . B . 7 U O4 . . . . . . . . . rr_1eka 1
. 1 . 476 . 2 1 7 U O4' O -0.469 -8.234 6.887 . . . 1.0 . . . . . . . . . . . . B . 7 U O4' . . . . . . . . . rr_1eka 1
. 1 . 477 . 2 1 7 U O5' O 2.241 -9.142 7.032 . . . 1.0 . . . . . . . . . . . . B . 7 U O5' . . . . . . . . . rr_1eka 1
. 1 . 478 . 2 1 7 U OP1 O 4.354 -9.569 8.309 . . . 1.0 . . . . . . . . . . . . B . 7 U OP1 . . . . . . . . . rr_1eka 1
. 1 . 479 . 2 1 7 U OP2 O 4.379 -9.326 5.759 . . . 1.0 . . . . . . . . . . . . B . 7 U OP2 . . . . . . . . . rr_1eka 1
. 1 . 480 . 2 1 7 U P P 3.837 -8.934 7.077 . . . 1.0 . . . . . . . . . . . . B . 7 U P . . . . . . . . . rr_1eka 1
. 1 . 481 . 2 1 8 C C1' C -4.357 -13.026 4.137 . . . 1.0 . . . . . . . . . . . . B . 8 C C1' . . . . . . . . . rr_1eka 1
. 1 . 482 . 2 1 8 C C2 C -3.698 -12.414 1.825 . . . 1.0 . . . . . . . . . . . . B . 8 C C2 . . . . . . . . . rr_1eka 1
. 1 . 483 . 2 1 8 C C2' C -4.502 -14.551 4.144 . . . 1.0 . . . . . . . . . . . . B . 8 C C2' . . . . . . . . . rr_1eka 1
. 1 . 484 . 2 1 8 C C3' C -3.650 -14.916 5.351 . . . 1.0 . . . . . . . . . . . . B . 8 C C3' . . . . . . . . . rr_1eka 1
. 1 . 485 . 2 1 8 C C4 C -1.491 -11.876 1.263 . . . 1.0 . . . . . . . . . . . . B . 8 C C4 . . . . . . . . . rr_1eka 1
. 1 . 486 . 2 1 8 C C4' C -3.990 -13.765 6.297 . . . 1.0 . . . . . . . . . . . . B . 8 C C4' . . . . . . . . . rr_1eka 1
. 1 . 487 . 2 1 8 C C5 C -1.055 -12.061 2.615 . . . 1.0 . . . . . . . . . . . . B . 8 C C5 . . . . . . . . . rr_1eka 1
. 1 . 488 . 2 1 8 C C5' C -2.985 -13.584 7.438 . . . 1.0 . . . . . . . . . . . . B . 8 C C5' . . . . . . . . . rr_1eka 1
. 1 . 489 . 2 1 8 C C6 C -1.995 -12.425 3.524 . . . 1.0 . . . . . . . . . . . . B . 8 C C6 . . . . . . . . . rr_1eka 1
. 1 . 490 . 2 1 8 C H1' H -5.313 -12.595 3.852 . . . 1.0 . . . . . . . . . . . . B . 8 C H1' . . . . . . . . . rr_1eka 1
. 1 . 491 . 2 1 8 C H2' H -4.118 -15.011 3.232 . . . 1.0 . . . . . . . . . . . . B . 8 C H2' . . . . . . . . . rr_1eka 1
. 1 . 492 . 2 1 8 C H3' H -2.606 -14.854 5.054 . . . 1.0 . . . . . . . . . . . . B . 8 C H3' . . . . . . . . . rr_1eka 1
. 1 . 493 . 2 1 8 C H4' H -4.982 -13.935 6.720 . . . 1.0 . . . . . . . . . . . . B . 8 C H4' . . . . . . . . . rr_1eka 1
. 1 . 494 . 2 1 8 C H41 H -0.995 -11.387 -0.623 . . . 1.0 . . . . . . . . . . . . B . 8 C H41 . . . . . . . . . rr_1eka 1
. 1 . 495 . 2 1 8 C H42 H 0.326 -11.319 0.540 . . . 1.0 . . . . . . . . . . . . B . 8 C H42 . . . . . . . . . rr_1eka 1
. 1 . 496 . 2 1 8 C H5 H -0.030 -11.928 2.928 . . . 1.0 . . . . . . . . . . . . B . 8 C H5 . . . . . . . . . rr_1eka 1
. 1 . 497 . 2 1 8 C H5' H -3.264 -12.713 8.030 . . . 1.0 . . . . . . . . . . . . B . 8 C H5' . . . . . . . . . rr_1eka 1
. 1 . 498 . 2 1 8 C H5'' H -3.005 -14.465 8.079 . . . 1.0 . . . . . . . . . . . . B . 8 C H5'' . . . . . . . . . rr_1eka 1
. 1 . 499 . 2 1 8 C H6 H -1.694 -12.582 4.549 . . . 1.0 . . . . . . . . . . . . B . 8 C H6 . . . . . . . . . rr_1eka 1
. 1 . 500 . 2 1 8 C HO2' H -5.866 -15.783 4.734 . . . 1.0 . . . . . . . . . . . . B . 8 C HO2' . . . . . . . . . rr_1eka 1
. 1 . 501 . 2 1 8 C HO3' H -3.319 -16.399 6.567 . . . 1.0 . . . . . . . . . . . . B . 8 C HO3' . . . . . . . . . rr_1eka 1
. 1 . 502 . 2 1 8 C N1 N -3.313 -12.593 3.160 . . . 1.0 . . . . . . . . . . . . B . 8 C N1 . . . . . . . . . rr_1eka 1
. 1 . 503 . 2 1 8 C N3 N -2.761 -12.061 0.905 . . . 1.0 . . . . . . . . . . . . B . 8 C N3 . . . . . . . . . rr_1eka 1
. 1 . 504 . 2 1 8 C N4 N -0.634 -11.517 0.318 . . . 1.0 . . . . . . . . . . . . B . 8 C N4 . . . . . . . . . rr_1eka 1
. 1 . 505 . 2 1 8 C O2 O -4.860 -12.586 1.462 . . . 1.0 . . . . . . . . . . . . B . 8 C O2 . . . . . . . . . rr_1eka 1
. 1 . 506 . 2 1 8 C O2' O -5.859 -14.903 4.344 . . . 1.0 . . . . . . . . . . . . B . 8 C O2' . . . . . . . . . rr_1eka 1
. 1 . 507 . 2 1 8 C O3' O -3.951 -16.200 5.869 . . . 1.0 . . . . . . . . . . . . B . 8 C O3' . . . . . . . . . rr_1eka 1
. 1 . 508 . 2 1 8 C O4' O -4.047 -12.616 5.466 . . . 1.0 . . . . . . . . . . . . B . 8 C O4' . . . . . . . . . rr_1eka 1
. 1 . 509 . 2 1 8 C O5' O -1.685 -13.417 6.907 . . . 1.0 . . . . . . . . . . . . B . 8 C O5' . . . . . . . . . rr_1eka 1
. 1 . 510 . 2 1 8 C OP1 O -0.577 -13.931 9.088 . . . 1.0 . . . . . . . . . . . . B . 8 C OP1 . . . . . . . . . rr_1eka 1
. 1 . 511 . 2 1 8 C OP2 O 0.802 -13.335 7.014 . . . 1.0 . . . . . . . . . . . . B . 8 C OP2 . . . . . . . . . rr_1eka 1
. 1 . 512 . 2 1 8 C P P -0.406 -13.148 7.845 . . . 1.0 . . . . . . . . . . . . B . 8 C P . . . . . . . . . rr_1eka 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_1eka
_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 1eka.mr . . "MR format" 1 comment "Not applicable" "Not applicable" 0 rr_1eka 1
1 1eka.mr . . DISCOVER 2 distance NOE simple 186 rr_1eka 1
1 1eka.mr . . DISCOVER 3 distance "hydrogen bond" simple 20 rr_1eka 1
1 1eka.mr . . DISCOVER 4 "dihedral angle" "Not applicable" "Not applicable" 100 rr_1eka 1
1 1eka.mr . . "MR format" 5 "nomenclature mapping" "Not applicable" "Not applicable" 0 rr_1eka 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_1eka
_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: '1eka'" . . . . distance "general distance" . 93 rr_1eka 1
2 "From CCPN project: '1eka'" . . . . distance "hydrogen bond" . 0 rr_1eka 1
3 "From CCPN project: '1eka'" . . . . "dihedral angle" "Not applicable" . 50 rr_1eka 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 1eka.mr . . "MR format" 1 comment "Not applicable" "Not applicable" 0 rr_1eka 1
1 1eka.mr . . DISCOVER 2 distance NOE simple 186 rr_1eka 1
1 1eka.mr . . DISCOVER 3 distance "hydrogen bond" simple 20 rr_1eka 1
1 1eka.mr . . DISCOVER 4 "dihedral angle" "Not applicable" "Not applicable" 100 rr_1eka 1
1 1eka.mr . . "MR format" 5 "nomenclature mapping" "Not applicable" "Not applicable" 0 rr_1eka 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_1eka
_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_1eka 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 1 1 G H1' H . . . 1 1 1 1 G H8 H . . . . . . 2.917 4.375 . . . . . A . 1 G H1' . . A . 1 G H8 . 1 . 1 G5' H1' . . . 1 . 1 G5' H8 . . rr_1eka 1
2 1 . . 1 1 2 2 A H1' H . . . 1 1 2 2 A H8 H . . . . . . 2.887 4.331 . . . . . A . 2 A H1' . . A . 2 A H8 . 1 . 2 A H1' . . . 1 . 2 A H8 . . rr_1eka 1
3 1 . . 1 1 2 2 A H1' H . . . 1 1 3 3 G H8 H . . . . . . 3.158 4.736 . . . . . A . 2 A H1' . . A . 3 G H8 . 1 . 2 A H1' . . . 1 . 3 G H8 . . rr_1eka 1
4 1 . . 1 1 3 3 G H8 H . . . 1 1 3 3 G H1' H . . . . . . 2.818 4.226 . . . . . A . 3 G H1' . . A . 3 G H8 . 1 . 3 G H1' . . . 1 . 3 G H8 . . rr_1eka 1
5 1 . . 1 1 3 3 G H1' H . . . 1 1 4 4 U H6 H . . . . . . 3.196 4.794 . . . . . A . 3 G H1' . . A . 4 U H6 . 1 . 3 G H1' . . . 1 . 4 U H6 . . rr_1eka 1
6 1 . . 1 1 4 4 U H6 H . . . 1 1 4 4 U H1' H . . . . . . 2.943 4.415 . . . . . A . 4 U H1' . . A . 4 U H6 . 1 . 4 U H1' . . . 1 . 4 U H6 . . rr_1eka 1
7 1 . . 1 1 5 5 G H1' H . . . 1 1 5 5 G H8 H . . . . . . 2.867 4.301 . . . . . A . 5 G H1' . . A . 5 G H8 . 1 . 5 G H1' . . . 1 . 5 G H8 . . rr_1eka 1
8 1 . . 1 1 5 5 G H1' H . . . 1 1 6 6 C H6 H . . . . . . 3.166 4.749 . . . . . A . 5 G H1' . . A . 6 C H6 . 1 . 5 G H1' . . . 1 . 6 C H6 . . rr_1eka 1
9 1 . . 1 1 6 6 C H6 H . . . 1 1 6 6 C H1' H . . . . . . 2.913 4.370 . . . . . A . 6 C H1' . . A . 6 C H6 . 1 . 6 C H1' . . . 1 . 6 C H6 . . rr_1eka 1
10 1 . . 1 1 7 7 U H1' H . . . 1 1 7 7 U H6 H . . . . . . 2.806 4.209 . . . . . A . 7 U H1' . . A . 7 U H6 . 1 . 7 U H1' . . . 1 . 7 U H6 . . rr_1eka 1
11 1 . . 1 1 8 8 C H1' H . . . 1 1 8 8 C H6 H . . . . . . 2.823 4.235 . . . . . A . 8 C H1' . . A . 8 C H6 . 1 . 8 C3' H1' . . . 1 . 8 C3' H6 . . rr_1eka 1
12 1 . . 1 1 3 3 G H1' H . . . 1 1 2 2 A H2 H . . . . . . 2.537 3.806 . . . . . A . 3 G H1' . . A . 2 A H2 . 1 . 3 G H1' . . . 1 . 2 A H2 . . rr_1eka 1
13 1 . . 1 1 2 2 A H1' H . . . 1 1 2 2 A H2 H . . . . . . 4.286 5.000 . . . . . A . 2 A H1' . . A . 2 A H2 . 1 . 2 A H1' . . . 1 . 2 A H2 . . rr_1eka 1
14 1 . . 1 1 8 8 C H6 H . . . 1 1 8 8 C H5 H . . . . . . 1.902 2.853 . . . . . A . 8 C H5 . . A . 8 C H6 . 1 . 8 C3' H5 . . . 1 . 8 C3' H6 . . rr_1eka 1
15 1 . . 1 1 7 7 U H6 H . . . 1 1 7 7 U H5 H . . . . . . 1.942 2.913 . . . . . A . 7 U H5 . . A . 7 U H6 . 1 . 7 U H5 . . . 1 . 7 U H6 . . rr_1eka 1
16 1 . . 1 1 6 6 C H6 H . . . 1 1 6 6 C H5 H . . . . . . 2.057 3.085 . . . . . A . 6 C H5 . . A . 6 C H6 . 1 . 6 C H5 . . . 1 . 6 C H6 . . rr_1eka 1
17 1 . . 1 1 4 4 U H6 H . . . 1 1 4 4 U H5 H . . . . . . 1.961 2.942 . . . . . A . 4 U H5 . . A . 4 U H6 . 1 . 4 U H5 . . . 1 . 4 U H6 . . rr_1eka 1
18 1 . . 1 1 4 4 U H1' H . . . 1 1 5 5 G H8 H . . . . . . 2.721 5.000 . . . . . A . 5 G H8 . . A . 4 U H1' . 1 . 5 G H8 . . . 1 . 4 U H1' . . rr_1eka 1
19 1 . . 1 1 7 7 U H6 H . . . 1 1 8 8 C H5 H . . . . . . 3.113 4.670 . . . . . A . 8 C H5 . . A . 7 U H6 . 1 . 8 C3' H5 . . . 1 . 7 U H6 . . rr_1eka 1
20 1 . . 1 1 5 5 G H8 H . . . 1 1 6 6 C H5 H . . . . . . 3.021 4.531 . . . . . A . 6 C H5 . . A . 5 G H8 . 1 . 6 C H5 . . . 1 . 5 G H8 . . rr_1eka 1
21 1 . . 1 1 3 3 G H8 H . . . 1 1 4 4 U H5 H . . . . . . 3.560 5.000 . . . . . A . 4 U H5 . . A . 3 G H8 . 1 . 4 U H5 . . . 1 . 3 G H8 . . rr_1eka 1
22 1 . . 1 1 1 1 G H1' H . . . 1 1 1 1 G H2' H . . . . . . 2.102 3.152 . . . . . A . 1 G H2' . . A . 1 G H1' . 1 . 1 G5' H2' . . . 1 . 1 G5' H1' . . rr_1eka 1
23 1 . . 1 1 2 2 A H1' H . . . 1 1 2 2 A H2' H . . . . . . 2.271 3.407 . . . . . A . 2 A H2' . . A . 2 A H1' . 1 . 2 A H2' . . . 1 . 2 A H1' . . rr_1eka 1
24 1 . . 1 1 3 3 G H1' H . . . 1 1 3 3 G H2' H . . . . . . 2.061 3.091 . . . . . A . 3 G H2' . . A . 3 G H1' . 1 . 3 G H2' . . . 1 . 3 G H1' . . rr_1eka 1
25 1 . . 1 1 6 6 C H1' H . . . 1 1 6 6 C H2' H . . . . . . 1.860 3.455 . . . . . A . 6 C H2' . . A . 6 C H1' . 1 . 6 C H2' . . . 1 . 6 C H1' . . rr_1eka 1
26 1 . . 1 1 7 7 U H1' H . . . 1 1 7 7 U H2' H . . . . . . 2.001 3.001 . . . . . A . 7 U H2' . . A . 7 U H1' . 1 . 7 U H2' . . . 1 . 7 U H1' . . rr_1eka 1
27 1 . . 1 1 8 8 C H1' H . . . 1 1 8 8 C H2' H . . . . . . 2.079 3.118 . . . . . A . 8 C H2' . . A . 8 C H1' . 1 . 8 C3' H2' . . . 1 . 8 C3' H1' . . rr_1eka 1
28 1 . . 1 1 3 3 G H1' H . . . 1 1 3 3 G H4' H . . . . . . 2.735 5.000 . . . . . A . 3 G H4' . . A . 3 G H1' . 1 . 3 G H4' . . . 1 . 3 G H1' . . rr_1eka 1
29 1 . . 1 1 6 6 C H1' H . . . 1 1 6 6 C H4' H . . . . . . 2.760 4.140 . . . . . A . 6 C H4' . . A . 6 C H1' . 1 . 6 C H4' . . . 1 . 6 C H1' . . rr_1eka 1
30 1 . . 1 1 8 8 C H1' H . . . 1 1 8 8 C H3' H . . . . . . 2.432 3.648 . . . . . A . 8 C H3' . . A . 8 C H1' . 1 . 8 C3' H3' . . . 1 . 8 C3' H1' . . rr_1eka 1
31 1 . . 1 1 8 8 C H5 H . . . 1 1 8 8 C H3' H . . . . . . 3.185 4.777 . . . . . A . 8 C H3' . . A . 8 C H5 . 1 . 8 C3' H3' . . . 1 . 8 C3' H5 . . rr_1eka 1
32 1 . . 1 1 5 5 G H1' H . . . 1 1 5 5 G H3' H . . . . . . 3.302 4.953 . . . . . A . 5 G H3' . . A . 5 G H1' . 1 . 5 G H3' . . . 1 . 5 G H1' . . rr_1eka 1
33 1 . . 1 1 5 5 G H1' H . . . 1 1 5 5 G H4' H . . . . . . 3.511 5.000 . . . . . A . 5 G H4' . . A . 5 G H1' . 1 . 5 G H4' . . . 1 . 5 G H1' . . rr_1eka 1
34 1 . . 1 1 6 6 C H1' H . . . 1 1 6 6 C H3' H . . . . . . 2.737 5.000 . . . . . A . 6 C H3' . . A . 6 C H1' . 1 . 6 C H3' . . . 1 . 6 C H1' . . rr_1eka 1
35 1 . . 1 1 6 6 C H5 H . . . 1 1 5 5 G H3' H . . . . . . 2.612 4.850 . . . . . A . 5 G H3' . . A . 6 C H5 . 1 . 5 G H3' . . . 1 . 6 C H5 . . rr_1eka 1
36 1 . . 1 1 7 7 U H5 H . . . 1 1 6 6 C H2' H . . . . . . 2.239 4.158 . . . . . A . 6 C H2' . . A . 7 U H5 . 1 . 6 C H2' . . . 1 . 7 U H5 . . rr_1eka 1
37 1 . . 1 1 4 4 U H5 H . . . 1 1 3 3 G H2' H . . . . . . 2.320 4.309 . . . . . A . 3 G H2' . . A . 4 U H5 . 1 . 3 G H2' . . . 1 . 4 U H5 . . rr_1eka 1
38 1 . . 1 1 3 3 G H1' H . . . 1 1 2 2 A H2' H . . . . . . 2.977 4.465 . . . . . A . 2 A H2' . . A . 3 G H1' . 1 . 2 A H2' . . . 1 . 3 G H1' . . rr_1eka 1
39 1 . . 1 1 4 4 U H1' H . . . 1 1 3 3 G H2' H . . . . . . 3.515 5.000 . . . . . A . 3 G H2' . . A . 4 U H1' . 1 . 3 G H2' . . . 1 . 4 U H1' . . rr_1eka 1
40 1 . . 1 1 7 7 U H1' H . . . 1 1 6 6 C H2' H . . . . . . 2.426 4.506 . . . . . A . 6 C H2' . . A . 7 U H1' . 1 . 6 C H2' . . . 1 . 7 U H1' . . rr_1eka 1
41 1 . . 1 1 8 8 C H1' H . . . 1 1 7 7 U H2' H . . . . . . 3.733 5.000 . . . . . A . 7 U H2' . . A . 8 C H1' . 1 . 7 U H2' . . . 1 . 8 C3' H1' . . rr_1eka 1
42 1 . . 1 1 1 1 G H1' H . . . 1 1 1 1 G H4' H . . . . . . 2.438 4.529 . . . . . A . 1 G H4' . . A . 1 G H1' . 1 . 1 G5' H4' . . . 1 . 1 G5' H1' . . rr_1eka 1
43 1 . . 1 1 8 8 C H5 H . . . 1 1 7 7 U H3' H . . . . . . 3.486 5.000 . . . . . A . 7 U H3' . . A . 8 C H5 . 1 . 7 U H3' . . . 1 . 8 C3' H5 . . rr_1eka 1
44 1 . . 1 1 8 8 C H5 H . . . 1 1 7 7 U H2' H . . . . . . 2.651 3.977 . . . . . A . 7 U H2' . . A . 8 C H5 . 1 . 7 U H2' . . . 1 . 8 C3' H5 . . rr_1eka 1
45 1 . . 1 1 8 8 C H5 H . . . 1 1 8 8 C H2' H . . . . . . 3.223 4.834 . . . . . A . 8 C H2' . . A . 8 C H5 . 1 . 8 C3' H2' . . . 1 . 8 C3' H5 . . rr_1eka 1
46 1 . . 1 1 1 1 G H8 H . . . 1 1 1 1 G H2' H . . . . . . 2.250 4.178 . . . . . A . 1 G H2' . . A . 1 G H8 . 1 . 1 G5' H2' . . . 1 . 1 G5' H8 . . rr_1eka 1
47 1 . . 1 1 1 1 G H8 H . . . 1 1 1 1 G H5' H . . . . . . 2.766 4.149 . . . . . A . 1 G H5' . . A . 1 G H8 . 1 . 1 G5' H5'1 . . . 1 . 1 G5' H8 . . rr_1eka 1
48 1 . . 1 1 2 2 A H8 H . . . 1 1 1 1 G H2' H . . . . . . 1.681 3.121 . . . . . A . 1 G H2' . . A . 2 A H8 . 1 . 1 G5' H2' . . . 1 . 2 A H8 . . rr_1eka 1
49 1 . . 1 1 2 2 A H8 H . . . 1 1 1 1 G H3' H . . . . . . 1.954 3.629 . . . . . A . 1 G H3' . . A . 2 A H8 . 1 . 1 G5' H3' . . . 1 . 2 A H8 . . rr_1eka 1
50 1 . . 1 1 3 3 G H8 H . . . 1 1 3 3 G H2' H . . . . . . 2.971 4.457 . . . . . A . 3 G H2' . . A . 3 G H8 . 1 . 3 G H2' . . . 1 . 3 G H8 . . rr_1eka 1
51 1 . . 1 1 3 3 G H8 H . . . 1 1 3 3 G H3' H . . . . . . 2.432 3.648 . . . . . A . 3 G H3' . . A . 3 G H8 . 1 . 3 G H3' . . . 1 . 3 G H8 . . rr_1eka 1
52 1 . . 1 1 3 3 G H8 H . . . 1 1 3 3 G H5' H . . . . . . 3.086 4.629 . . . . . A . 3 G H5' . . A . 3 G H8 . 1 . 3 G H5'1 . . . 1 . 3 G H8 . . rr_1eka 1
53 1 . . 1 1 4 4 U H6 H . . . 1 1 3 3 G H2' H . . . . . . 1.611 3.991 . . . . . A . 3 G H2' . . A . 4 U H6 . 1 . 3 G H2' . . . 1 . 4 U H6 . . rr_1eka 1
54 1 . . 1 1 4 4 U H6 H . . . 1 1 4 4 U H2' H . . . . . . 1.614 4.767 . . . . . A . 4 U H2' . . A . 4 U H6 . 1 . 4 U H2' . . . 1 . 4 U H6 . . rr_1eka 1
55 1 . . 1 1 4 4 U H6 H . . . 1 1 3 3 G H3' H . . . . . . 1.654 4.860 . . . . . A . 3 G H3' . . A . 4 U H6 . 1 . 3 G H3' . . . 1 . 4 U H6 . . rr_1eka 1
56 1 . . 1 1 4 4 U H6 H . . . 1 1 4 4 U H3' H . . . . . . 1.744 3.239 . . . . . A . 4 U H3' . . A . 4 U H6 . 1 . 4 U H3' . . . 1 . 4 U H6 . . rr_1eka 1
57 1 . . 1 1 4 4 U H6 H . . . 1 1 4 4 U H5' H . . . . . . 2.759 4.138 . . . . . A . 4 U H5' . . A . 4 U H6 . 1 . 4 U H5'1 . . . 1 . 4 U H6 . . rr_1eka 1
58 1 . . 1 1 5 5 G H8 H . . . 1 1 4 4 U H2' H . . . . . . 1.962 2.943 . . . . . A . 4 U H2' . . A . 5 G H8 . 1 . 4 U H2' . . . 1 . 5 G H8 . . rr_1eka 1
59 1 . . 1 1 8 8 C H6 H . . . 1 1 7 7 U H3' H . . . . . . 1.926 3.576 . . . . . A . 7 U H3' . . A . 8 C H6 . 1 . 7 U H3' . . . 1 . 8 C3' H6 . . rr_1eka 1
60 1 . . 1 1 5 5 G H8 H . . . 1 1 5 5 G H3' H . . . . . . 1.859 3.453 . . . . . A . 5 G H3' . . A . 5 G H8 . 1 . 5 G H3' . . . 1 . 5 G H8 . . rr_1eka 1
61 1 . . 1 1 6 6 C H6 H . . . 1 1 5 5 G H3' H . . . . . . 1.846 3.428 . . . . . A . 5 G H3' . . A . 6 C H6 . 1 . 5 G H3' . . . 1 . 6 C H6 . . rr_1eka 1
62 1 . . 1 1 7 7 U H6 H . . . 1 1 6 6 C H2' H . . . . . . 1.782 2.673 . . . . . A . 6 C H2' . . A . 7 U H6 . 1 . 6 C H2' . . . 1 . 7 U H6 . . rr_1eka 1
63 1 . . 1 1 7 7 U H6 H . . . 1 1 7 7 U H4' H . . . . . . 2.716 4.074 . . . . . A . 7 U H4' . . A . 7 U H6 . 1 . 7 U H4' . . . 1 . 7 U H6 . . rr_1eka 1
64 1 . . 1 1 7 7 U H6 H . . . 1 1 7 7 U H2' H . . . . . . 2.823 4.235 . . . . . A . 7 U H2' . . A . 7 U H6 . 1 . 7 U H2' . . . 1 . 7 U H6 . . rr_1eka 1
65 1 . . 1 1 7 7 U H6 H . . . 1 1 6 6 C H3' H . . . . . . 2.419 3.629 . . . . . A . 6 C H3' . . A . 7 U H6 . 1 . 6 C H3' . . . 1 . 7 U H6 . . rr_1eka 1
66 1 . . 1 1 7 7 U H6 H . . . 1 1 7 7 U H5' H . . . . . . 2.809 4.213 . . . . . A . 7 U H5' . . A . 7 U H6 . 1 . 7 U H5'1 . . . 1 . 7 U H6 . . rr_1eka 1
67 1 . . 1 1 2 2 A H8 H . . . 1 1 2 2 A H5' H . . . . . . 2.730 4.095 . . . . . A . 2 A H5' . . A . 2 A H8 . 1 . 2 A H5'1 . . . 1 . 2 A H8 . . rr_1eka 1
68 1 . . 1 1 8 8 C H6 H . . . 1 1 7 7 U H2' H . . . . . . 1.585 2.944 . . . . . A . 7 U H2' . . A . 8 C H6 . 1 . 7 U H2' . . . 1 . 8 C3' H6 . . rr_1eka 1
69 1 . . 1 1 8 8 C H6 H . . . 1 1 8 8 C H3' H . . . . . . 1.653 3.070 . . . . . A . 8 C H3' . . A . 8 C H6 . 1 . 8 C3' H3' . . . 1 . 8 C3' H6 . . rr_1eka 1
70 1 . . 1 1 8 8 C H6 H . . . 1 1 8 8 C H2' H . . . . . . 2.106 3.911 . . . . . A . 8 C H2' . . A . 8 C H6 . 1 . 8 C3' H2' . . . 1 . 8 C3' H6 . . rr_1eka 1
71 1 . . 1 1 8 8 C H6 H . . . 1 1 8 8 C H4' H . . . . . . 2.262 4.201 . . . . . A . 8 C H4' . . A . 8 C H6 . 1 . 8 C3' H4' . . . 1 . 8 C3' H6 . . rr_1eka 1
72 1 . . 1 1 6 6 C H6 H . . . 1 1 5 5 G H2' H . . . . . . 1.836 3.409 . . . . . A . 5 G H2' . . A . 6 C H6 . 1 . 5 G H2' . . . 1 . 6 C H6 . . rr_1eka 1
73 1 . . 1 1 5 5 G H1' H . . . 1 1 5 5 G H2' H . . . . . . 2.567 4.767 . . . . . A . 5 G H2' . . A . 5 G H1' . 1 . 5 G H2' . . . 1 . 5 G H1' . . rr_1eka 1
74 1 . . 1 1 3 3 G H8 H . . . 1 1 4 4 U H6 H . . . . . . 3.731 5.000 . . . . . A . 3 G H8 . . A . 4 U H6 . 1 . 3 G H8 . . . 1 . 4 U H6 . . rr_1eka 1
75 1 . . 1 1 2 2 A H8 H . . . 1 1 3 3 G H8 H . . . . . . 3.708 5.000 . . . . . A . 3 G H8 . . A . 2 A H8 . 1 . 3 G H8 . . . 1 . 2 A H8 . . rr_1eka 1
76 1 . . 1 1 2 2 A H1' H . . . 1 1 1 1 G H2' H . . . . . . 1.600 6.000 . . . . . A . 1 G H2' . . A . 2 A H1' . 1 . 1 G5' H2' . . . 1 . 2 A H1' . . rr_1eka 1
77 1 . . 1 1 1 1 G H1' H . . . 1 1 1 1 G H3' H . . . . . . 1.600 6.000 . . . . . A . 1 G H3' . . A . 1 G H1' . 1 . 1 G5' H3' . . . 1 . 1 G5' H1' . . rr_1eka 1
78 1 . . 1 1 4 4 U H5 H . . . 1 1 3 3 G H3' H . . . . . . 2.700 6.000 . . . . . A . 3 G H3' . . A . 4 U H5 . 1 . 3 G H3' . . . 1 . 4 U H5 . . rr_1eka 1
79 1 . . 1 1 4 4 U H5 H . . . 1 1 4 4 U H2' H . . . . . . 2.300 6.000 . . . . . A . 4 U H2' . . A . 4 U H5 . 1 . 4 U H2' . . . 1 . 4 U H5 . . rr_1eka 1
80 1 . . 1 1 4 4 U H1' H . . . 1 1 4 4 U H2' H . . . . . . 1.600 3.500 . . . . . A . 4 U H2' . . A . 4 U H1' . 1 . 4 U H2' . . . 1 . 4 U H1' . . rr_1eka 1
81 1 . . 1 1 7 7 U H1' H . . . 1 1 7 7 U H4' H . . . . . . 1.600 6.000 . . . . . A . 7 U H4' . . A . 7 U H1' . 1 . 7 U H4' . . . 1 . 7 U H1' . . rr_1eka 1
82 1 . . 1 1 4 4 U H1' H . . . 1 1 4 4 U H3' H . . . . . . 1.600 6.000 . . . . . A . 4 U H3' . . A . 4 U H1' . 1 . 4 U H3' . . . 1 . 4 U H1' . . rr_1eka 1
83 1 . . 1 1 4 4 U H5 H . . . 1 1 4 4 U H3' H . . . . . . 1.600 6.000 . . . . . A . 4 U H3' . . A . 4 U H5 . 1 . 4 U H3' . . . 1 . 4 U H5 . . rr_1eka 1
84 1 . . 1 1 7 7 U H1' H . . . 1 1 7 7 U H3' H . . . . . . 1.600 6.000 . . . . . A . 7 U H3' . . A . 7 U H1' . 1 . 7 U H3' . . . 1 . 7 U H1' . . rr_1eka 1
85 1 . . 1 1 7 7 U H5 H . . . 1 1 7 7 U H3' H . . . . . . 1.600 6.000 . . . . . A . 7 U H3' . . A . 7 U H5 . 1 . 7 U H3' . . . 1 . 7 U H5 . . rr_1eka 1
86 1 . . 1 1 1 1 G H8 H . . . 1 1 1 1 G H3' H . . . . . . 1.600 6.000 . . . . . A . 1 G H3' . . A . 1 G H8 . 1 . 1 G5' H3' . . . 1 . 1 G5' H8 . . rr_1eka 1
87 1 . . 1 1 2 2 A H8 H . . . 1 1 2 2 A H2' H . . . . . . 1.600 6.000 . . . . . A . 2 A H2' . . A . 2 A H8 . 1 . 2 A H2' . . . 1 . 2 A H8 . . rr_1eka 1
88 1 . . 1 1 2 2 A H8 H . . . 1 1 2 2 A H3' H . . . . . . 1.600 6.000 . . . . . A . 2 A H3' . . A . 2 A H8 . 1 . 2 A H3' . . . 1 . 2 A H8 . . rr_1eka 1
89 1 . . 1 1 3 3 G H8 H . . . 1 1 2 2 A H2' H . . . . . . 1.600 4.000 . . . . . A . 2 A H2' . . A . 3 G H8 . 1 . 2 A H2' . . . 1 . 3 G H8 . . rr_1eka 1
90 1 . . 1 1 3 3 G H8 H . . . 1 1 2 2 A H3' H . . . . . . 1.600 6.000 . . . . . A . 2 A H3' . . A . 3 G H8 . 1 . 2 A H3' . . . 1 . 3 G H8 . . rr_1eka 1
91 1 . . 1 1 6 6 C H6 H . . . 1 1 6 6 C H3' H . . . . . . 1.600 6.000 . . . . . A . 6 C H3' . . A . 6 C H6 . 1 . 6 C H3' . . . 1 . 6 C H6 . . rr_1eka 1
92 1 . . 1 1 6 6 C H6 H . . . 1 1 6 6 C H2' H . . . . . . 1.600 6.000 . . . . . A . 6 C H2' . . A . 6 C H6 . 1 . 6 C H2' . . . 1 . 6 C H6 . . rr_1eka 1
93 1 . . 1 1 7 7 U H6 H . . . 1 1 7 7 U H3' H . . . . . . 1.600 6.000 . . . . . A . 7 U H3' . . A . 7 U H6 . 1 . 7 U H3' . . . 1 . 7 U H6 . . rr_1eka 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 distance 1 1 1 9 rr_1eka 1
2 "Sugar H1' to H2' region begins" 24 1 26 1 rr_1eka 1
3 "Base to sugar begins here" 51 1 53 1 rr_1eka 1
4 "1:G_5:H5'1 1:G_5:H8 1.833 3.404 25.000 25.000 1000.000" 69 1 69 71 rr_1eka 1
5
;some specail begins here
because of severe overlap, the distance is limited between
1.6 and 6 Angstroms. suagr H1' to H2' region
;
85 1 92 1 rr_1eka 1
6 "base to sugar region" 103 1 104 21 rr_1eka 1
7 "The second strand begins here!" 113 1 116 1 rr_1eka 1
8
;1:C3'_8B:H2' 1:G5'_1:H1' 2.835 4.253 25.000 25.000 1000.000
1:A_2B:H4' 1:A_2B:H1' 3.590 5.000 25.000 25.000 1000.000
;
146 1 147 71 rr_1eka 1
9 "1:G_5B:H5'1 1:G_5B:H8 1.833 3.404 25.000 25.000 1000.000" 178 1 178 71 rr_1eka 1
10
;some specail begins here
because of severe overlap, the distance is limited between
1.6 and 6 Angstroms. suagr H1' to H2' region
;
194 1 201 1 rr_1eka 1
11 "base to sugar region" 212 1 212 21 rr_1eka 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 12 1 "Not handling restraint 12, item 1, resonance(s) 'B.2.H2' (nmrStar names) not linked" rr_1eka 1
2 2 95 1 "Not handling restraint 95, item 1, resonance(s) 'B.1.H1'' (nmrStar names),'B.1.H8' (nmrStar names) not linked" rr_1eka 1
3 2 96 1 "Not handling restraint 96, item 1, resonance(s) 'B.2.H1'' (nmrStar names),'B.2.H8' (nmrStar names) not linked" rr_1eka 1
4 2 97 1 "Not handling restraint 97, item 1, resonance(s) 'B.2.H1'' (nmrStar names),'B.3.H8' (nmrStar names) not linked" rr_1eka 1
5 2 98 1 "Not handling restraint 98, item 1, resonance(s) 'B.3.H8' (nmrStar names),'B.3.H1'' (nmrStar names) not linked" rr_1eka 1
6 2 99 1 "Not handling restraint 99, item 1, resonance(s) 'B.3.H1'' (nmrStar names),'B.4.H6' (nmrStar names) not linked" rr_1eka 1
7 2 100 1 "Not handling restraint 100, item 1, resonance(s) 'B.4.H6' (nmrStar names),'B.4.H1'' (nmrStar names) not linked" rr_1eka 1
8 2 101 1 "Not handling restraint 101, item 1, resonance(s) 'B.5.H1'' (nmrStar names),'B.5.H8' (nmrStar names) not linked" rr_1eka 1
9 2 102 1 "Not handling restraint 102, item 1, resonance(s) 'B.5.H1'' (nmrStar names),'B.6.H6' (nmrStar names) not linked" rr_1eka 1
10 2 103 1 "Not handling restraint 103, item 1, resonance(s) 'B.6.H6' (nmrStar names),'B.6.H1'' (nmrStar names) not linked" rr_1eka 1
11 2 104 1 "Not handling restraint 104, item 1, resonance(s) 'B.7.H1'' (nmrStar names),'B.7.H6' (nmrStar names) not linked" rr_1eka 1
12 2 105 1 "Not handling restraint 105, item 1, resonance(s) 'B.8.H1'' (nmrStar names),'B.8.H6' (nmrStar names) not linked" rr_1eka 1
13 2 106 1 "Not handling restraint 106, item 1, resonance(s) 'B.8.H1'' (nmrStar names) not linked" rr_1eka 1
14 2 107 1 "Not handling restraint 107, item 1, resonance(s) 'B.2.H2' (nmrStar names),'B.3.H1'' (nmrStar names) not linked" rr_1eka 1
15 2 108 1 "Not handling restraint 108, item 1, resonance(s) 'B.2.H2' (nmrStar names),'B.2.H1'' (nmrStar names) not linked" rr_1eka 1
16 2 109 1 "Not handling restraint 109, item 1, resonance(s) 'B.8.H6' (nmrStar names),'B.8.H5' (nmrStar names) not linked" rr_1eka 1
17 2 110 1 "Not handling restraint 110, item 1, resonance(s) 'B.7.H6' (nmrStar names),'B.7.H5' (nmrStar names) not linked" rr_1eka 1
18 2 111 1 "Not handling restraint 111, item 1, resonance(s) 'B.6.H6' (nmrStar names),'B.6.H5' (nmrStar names) not linked" rr_1eka 1
19 2 112 1 "Not handling restraint 112, item 1, resonance(s) 'B.4.H6' (nmrStar names),'B.4.H5' (nmrStar names) not linked" rr_1eka 1
20 2 113 1 "Not handling restraint 113, item 1, resonance(s) 'B.4.H1'' (nmrStar names),'B.5.H8' (nmrStar names) not linked" rr_1eka 1
21 2 114 1 "Not handling restraint 114, item 1, resonance(s) 'B.7.H1'' (nmrStar names),'B.8.H6' (nmrStar names) not linked" rr_1eka 1
22 2 115 1 "Not handling restraint 115, item 1, resonance(s) 'B.7.H6' (nmrStar names),'B.8.H5' (nmrStar names) not linked" rr_1eka 1
23 2 116 1 "Not handling restraint 116, item 1, resonance(s) 'B.5.H8' (nmrStar names),'B.6.H5' (nmrStar names) not linked" rr_1eka 1
24 2 117 1 "Not handling restraint 117, item 1, resonance(s) 'B.3.H8' (nmrStar names),'B.4.H5' (nmrStar names) not linked" rr_1eka 1
25 2 118 1 "Not handling restraint 118, item 1, resonance(s) 'B.1.H1'' (nmrStar names),'B.1.H2'' (nmrStar names) not linked" rr_1eka 1
26 2 119 1 "Not handling restraint 119, item 1, resonance(s) 'B.2.H1'' (nmrStar names),'B.2.H2'' (nmrStar names) not linked" rr_1eka 1
27 2 120 1 "Not handling restraint 120, item 1, resonance(s) 'B.3.H1'' (nmrStar names),'B.3.H2'' (nmrStar names) not linked" rr_1eka 1
28 2 121 1 "Not handling restraint 121, item 1, resonance(s) 'B.6.H1'' (nmrStar names),'B.6.H2'' (nmrStar names) not linked" rr_1eka 1
29 2 122 1 "Not handling restraint 122, item 1, resonance(s) 'B.7.H1'' (nmrStar names),'B.7.H2'' (nmrStar names) not linked" rr_1eka 1
30 2 123 1 "Not handling restraint 123, item 1, resonance(s) 'B.8.H1'' (nmrStar names),'B.8.H2'' (nmrStar names) not linked" rr_1eka 1
31 2 124 1 "Not handling restraint 124, item 1, resonance(s) 'B.3.H1'' (nmrStar names),'B.3.H4'' (nmrStar names) not linked" rr_1eka 1
32 2 125 1 "Not handling restraint 125, item 1, resonance(s) 'B.6.H1'' (nmrStar names),'B.6.H4'' (nmrStar names) not linked" rr_1eka 1
33 2 126 1 "Not handling restraint 126, item 1, resonance(s) 'B.8.H1'' (nmrStar names),'B.8.H3'' (nmrStar names) not linked" rr_1eka 1
34 2 127 1 "Not handling restraint 127, item 1, resonance(s) 'B.8.H5' (nmrStar names),'B.8.H3'' (nmrStar names) not linked" rr_1eka 1
35 2 128 1 "Not handling restraint 128, item 1, resonance(s) 'B.5.H1'' (nmrStar names),'B.5.H3'' (nmrStar names) not linked" rr_1eka 1
36 2 129 1 "Not handling restraint 129, item 1, resonance(s) 'B.6.H1'' (nmrStar names),'B.6.H3'' (nmrStar names) not linked" rr_1eka 1
37 2 130 1 "Not handling restraint 130, item 1, resonance(s) 'B.6.H5' (nmrStar names),'B.5.H3'' (nmrStar names) not linked" rr_1eka 1
38 2 131 1 "Not handling restraint 131, item 1, resonance(s) 'B.7.H5' (nmrStar names),'B.6.H2'' (nmrStar names) not linked" rr_1eka 1
39 2 132 1 "Not handling restraint 132, item 1, resonance(s) 'B.4.H5' (nmrStar names),'B.3.H2'' (nmrStar names) not linked" rr_1eka 1
40 2 133 1 "Not handling restraint 133, item 1, resonance(s) 'B.3.H1'' (nmrStar names),'B.2.H2'' (nmrStar names) not linked" rr_1eka 1
41 2 134 1 "Not handling restraint 134, item 1, resonance(s) 'B.4.H1'' (nmrStar names),'B.3.H2'' (nmrStar names) not linked" rr_1eka 1
42 2 135 1 "Not handling restraint 135, item 1, resonance(s) 'B.7.H1'' (nmrStar names),'B.6.H2'' (nmrStar names) not linked" rr_1eka 1
43 2 136 1 "Not handling restraint 136, item 1, resonance(s) 'B.8.H1'' (nmrStar names),'B.7.H2'' (nmrStar names) not linked" rr_1eka 1
44 2 137 1 "Not handling restraint 137, item 1, resonance(s) 'B.1.H1'' (nmrStar names),'B.1.H4'' (nmrStar names) not linked" rr_1eka 1
45 2 138 1 "Not handling restraint 138, item 1, resonance(s) 'B.8.H5' (nmrStar names),'B.7.H3'' (nmrStar names) not linked" rr_1eka 1
46 2 139 1 "Not handling restraint 139, item 1, resonance(s) 'B.8.H5' (nmrStar names),'B.7.H2'' (nmrStar names) not linked" rr_1eka 1
47 2 140 1 "Not handling restraint 140, item 1, resonance(s) 'B.1.H8' (nmrStar names),'B.1.H5'1' (nmrStar names) not linked" rr_1eka 1
48 2 141 1 "Not handling restraint 141, item 1, resonance(s) 'B.2.H8' (nmrStar names),'B.1.H2'' (nmrStar names) not linked" rr_1eka 1
49 2 142 1 "Not handling restraint 142, item 1, resonance(s) 'B.2.H8' (nmrStar names),'B.1.H3'' (nmrStar names) not linked" rr_1eka 1
50 2 143 1 "Not handling restraint 143, item 1, resonance(s) 'B.3.H8' (nmrStar names),'B.3.H2'' (nmrStar names) not linked" rr_1eka 1
51 2 144 1 "Not handling restraint 144, item 1, resonance(s) 'B.3.H8' (nmrStar names),'B.3.H3'' (nmrStar names) not linked" rr_1eka 1
52 2 145 1 "Not handling restraint 145, item 1, resonance(s) 'B.3.H8' (nmrStar names),'B.3.H5'1' (nmrStar names) not linked" rr_1eka 1
53 2 146 1 "Not handling restraint 146, item 1, resonance(s) 'B.4.H6' (nmrStar names),'B.3.H2'' (nmrStar names) not linked" rr_1eka 1
54 2 147 1 "Not handling restraint 147, item 1, resonance(s) 'B.4.H6' (nmrStar names),'B.4.H2'' (nmrStar names) not linked" rr_1eka 1
55 2 148 1 "Not handling restraint 148, item 1, resonance(s) 'B.4.H6' (nmrStar names),'B.3.H3'' (nmrStar names) not linked" rr_1eka 1
56 2 149 1 "Not handling restraint 149, item 1, resonance(s) 'B.4.H6' (nmrStar names),'B.4.H3'' (nmrStar names) not linked" rr_1eka 1
57 2 150 1 "Not handling restraint 150, item 1, resonance(s) 'B.4.H6' (nmrStar names),'B.4.H5'1' (nmrStar names) not linked" rr_1eka 1
58 2 151 1 "Not handling restraint 151, item 1, resonance(s) 'B.5.H8' (nmrStar names),'B.4.H2'' (nmrStar names) not linked" rr_1eka 1
59 2 152 1 "Not handling restraint 152, item 1, resonance(s) 'B.8.H6' (nmrStar names),'B.7.H3'' (nmrStar names) not linked" rr_1eka 1
60 2 153 1 "Not handling restraint 153, item 1, resonance(s) 'B.5.H8' (nmrStar names),'B.5.H3'' (nmrStar names) not linked" rr_1eka 1
61 2 154 1 "Not handling restraint 154, item 1, resonance(s) 'B.6.H6' (nmrStar names),'B.5.H3'' (nmrStar names) not linked" rr_1eka 1
62 2 155 1 "Not handling restraint 155, item 1, resonance(s) 'B.7.H6' (nmrStar names),'B.6.H2'' (nmrStar names) not linked" rr_1eka 1
63 2 156 1 "Not handling restraint 156, item 1, resonance(s) 'B.7.H6' (nmrStar names),'B.7.H4'' (nmrStar names) not linked" rr_1eka 1
64 2 157 1 "Not handling restraint 157, item 1, resonance(s) 'B.7.H6' (nmrStar names),'B.7.H2'' (nmrStar names) not linked" rr_1eka 1
65 2 158 1 "Not handling restraint 158, item 1, resonance(s) 'B.7.H6' (nmrStar names),'B.6.H3'' (nmrStar names) not linked" rr_1eka 1
66 2 159 1 "Not handling restraint 159, item 1, resonance(s) 'B.7.H6' (nmrStar names),'B.7.H5'1' (nmrStar names) not linked" rr_1eka 1
67 2 160 1 "Not handling restraint 160, item 1, resonance(s) 'B.2.H8' (nmrStar names),'B.2.H5'1' (nmrStar names) not linked" rr_1eka 1
68 2 161 1 "Not handling restraint 161, item 1, resonance(s) 'B.8.H6' (nmrStar names),'B.7.H2'' (nmrStar names) not linked" rr_1eka 1
69 2 162 1 "Not handling restraint 162, item 1, resonance(s) 'B.8.H6' (nmrStar names),'B.8.H3'' (nmrStar names) not linked" rr_1eka 1
70 2 163 1 "Not handling restraint 163, item 1, resonance(s) 'B.8.H6' (nmrStar names),'B.8.H2'' (nmrStar names) not linked" rr_1eka 1
71 2 164 1 "Not handling restraint 164, item 1, resonance(s) 'B.8.H6' (nmrStar names),'B.8.H4'' (nmrStar names) not linked" rr_1eka 1
72 2 165 1 "Not handling restraint 165, item 1, resonance(s) 'B.6.H6' (nmrStar names),'B.5.H2'' (nmrStar names) not linked" rr_1eka 1
73 2 166 1 "Not handling restraint 166, item 1, resonance(s) 'B.5.H1'' (nmrStar names),'B.5.H2'' (nmrStar names) not linked" rr_1eka 1
74 2 167 1 "Not handling restraint 167, item 1, resonance(s) 'B.3.H8' (nmrStar names),'B.4.H6' (nmrStar names) not linked" rr_1eka 1
75 2 168 1 "Not handling restraint 168, item 1, resonance(s) 'B.2.H8' (nmrStar names),'B.3.H8' (nmrStar names) not linked" rr_1eka 1
76 2 169 1 "Not handling restraint 169, item 1, resonance(s) 'B.2.H1'' (nmrStar names),'B.1.H2'' (nmrStar names) not linked" rr_1eka 1
77 2 170 1 "Not handling restraint 170, item 1, resonance(s) 'B.1.H1'' (nmrStar names),'B.1.H3'' (nmrStar names) not linked" rr_1eka 1
78 2 171 1 "Not handling restraint 171, item 1, resonance(s) 'B.4.H5' (nmrStar names),'B.3.H3'' (nmrStar names) not linked" rr_1eka 1
79 2 172 1 "Not handling restraint 172, item 1, resonance(s) 'B.4.H5' (nmrStar names),'B.4.H2'' (nmrStar names) not linked" rr_1eka 1
80 2 173 1 "Not handling restraint 173, item 1, resonance(s) 'B.4.H1'' (nmrStar names),'B.4.H2'' (nmrStar names) not linked" rr_1eka 1
81 2 174 1 "Not handling restraint 174, item 1, resonance(s) 'B.7.H1'' (nmrStar names),'B.7.H4'' (nmrStar names) not linked" rr_1eka 1
82 2 175 1 "Not handling restraint 175, item 1, resonance(s) 'B.4.H1'' (nmrStar names),'B.4.H3'' (nmrStar names) not linked" rr_1eka 1
83 2 176 1 "Not handling restraint 176, item 1, resonance(s) 'B.4.H5' (nmrStar names),'B.4.H3'' (nmrStar names) not linked" rr_1eka 1
84 2 177 1 "Not handling restraint 177, item 1, resonance(s) 'B.7.H1'' (nmrStar names),'B.7.H3'' (nmrStar names) not linked" rr_1eka 1
85 2 178 1 "Not handling restraint 178, item 1, resonance(s) 'B.7.H5' (nmrStar names),'B.7.H3'' (nmrStar names) not linked" rr_1eka 1
86 2 179 1 "Not handling restraint 179, item 1, resonance(s) 'B.1.H8' (nmrStar names),'B.1.H3'' (nmrStar names) not linked" rr_1eka 1
87 2 180 1 "Not handling restraint 180, item 1, resonance(s) 'B.2.H8' (nmrStar names),'B.2.H2'' (nmrStar names) not linked" rr_1eka 1
88 2 181 1 "Not handling restraint 181, item 1, resonance(s) 'B.2.H8' (nmrStar names),'B.2.H3'' (nmrStar names) not linked" rr_1eka 1
89 2 182 1 "Not handling restraint 182, item 1, resonance(s) 'B.3.H8' (nmrStar names),'B.2.H2'' (nmrStar names) not linked" rr_1eka 1
90 2 183 1 "Not handling restraint 183, item 1, resonance(s) 'B.3.H8' (nmrStar names),'B.2.H3'' (nmrStar names) not linked" rr_1eka 1
91 2 184 1 "Not handling restraint 184, item 1, resonance(s) 'B.6.H6' (nmrStar names),'B.6.H3'' (nmrStar names) not linked" rr_1eka 1
92 2 185 1 "Not handling restraint 185, item 1, resonance(s) 'B.6.H6' (nmrStar names),'B.6.H2'' (nmrStar names) not linked" rr_1eka 1
93 2 186 1 "Not handling restraint 186, item 1, resonance(s) 'B.7.H6' (nmrStar names),'B.7.H3'' (nmrStar names) not linked" rr_1eka 1
stop_
save_
save_Discover_distance_constraints_3
_Gen_dist_constraint_list.Sf_category general_distance_constraints
_Gen_dist_constraint_list.Sf_framecode Discover_distance_constraints_3
_Gen_dist_constraint_list.Entry_ID rr_1eka
_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_1eka 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 "big atom restraints" 1 1 2 1 rr_1eka 2
2 "A_U Watson_Crisk" 16 1 18 1 rr_1eka 2
3
;!!!!!!!!!!!!!!
*********
G_U Mismatch
;
24 1 28 1 rr_1eka 2
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 1 1 "Not handling restraint 1, item 1, resonance(s) 'B.8.N4' (nmrStar names) not linked" rr_1eka 2
2 3 2 1 "Not handling restraint 2, item 1, resonance(s) 'B.8.N3' (nmrStar names) not linked" rr_1eka 2
3 3 3 1 "Not handling restraint 3, item 1, resonance(s) 'B.8.O2' (nmrStar names) not linked" rr_1eka 2
4 3 4 1 "Not handling restraint 4, item 1, resonance(s) 'B.6.N4' (nmrStar names) not linked" rr_1eka 2
5 3 5 1 "Not handling restraint 5, item 1, resonance(s) 'B.6.N3' (nmrStar names) not linked" rr_1eka 2
6 3 6 1 "Not handling restraint 6, item 1, resonance(s) 'B.6.O2' (nmrStar names) not linked" rr_1eka 2
7 3 7 1 "Not handling restraint 7, item 1, resonance(s) 'B.1.O6' (nmrStar names) not linked" rr_1eka 2
8 3 8 1 "Not handling restraint 8, item 1, resonance(s) 'B.1.N1' (nmrStar names) not linked" rr_1eka 2
9 3 9 1 "Not handling restraint 9, item 1, resonance(s) 'B.1.N2' (nmrStar names) not linked" rr_1eka 2
10 3 10 1 "Not handling restraint 10, item 1, resonance(s) 'B.3.O6' (nmrStar names) not linked" rr_1eka 2
11 3 11 1 "Not handling restraint 11, item 1, resonance(s) 'B.3.N1' (nmrStar names) not linked" rr_1eka 2
12 3 12 1 "Not handling restraint 12, item 1, resonance(s) 'B.3.N2' (nmrStar names) not linked" rr_1eka 2
13 3 13 1 "Not handling restraint 13, item 1, resonance(s) 'B.7.O4' (nmrStar names) not linked" rr_1eka 2
14 3 14 1 "Not handling restraint 14, item 1, resonance(s) 'B.7.N3' (nmrStar names) not linked" rr_1eka 2
15 3 15 1 "Not handling restraint 15, item 1, resonance(s) 'B.2.N6' (nmrStar names) not linked" rr_1eka 2
16 3 16 1 "Not handling restraint 16, item 1, resonance(s) 'B.2.N1' (nmrStar names) not linked" rr_1eka 2
17 3 17 1 "Not handling restraint 17, item 1, resonance(s) 'B.4.N3' (nmrStar names) not linked" rr_1eka 2
18 3 18 1 "Not handling restraint 18, item 1, resonance(s) 'B.4.O2' (nmrStar names) not linked" rr_1eka 2
19 3 19 1 "Not handling restraint 19, item 1, resonance(s) 'B.5.O6' (nmrStar names) not linked" rr_1eka 2
20 3 20 1 "Not handling restraint 20, item 1, resonance(s) 'B.5.N1' (nmrStar names) not linked" rr_1eka 2
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_1eka
_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_1eka 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_1eka 1
2 1 . . . rr_1eka 1
3 1 . . . rr_1eka 1
4 1 . . . rr_1eka 1
5 1 . . . rr_1eka 1
6 1 . . . rr_1eka 1
7 1 . . . rr_1eka 1
8 1 . . . rr_1eka 1
9 1 . . . rr_1eka 1
10 1 . . . rr_1eka 1
11 1 . . . rr_1eka 1
12 1 . . . rr_1eka 1
13 1 . . . rr_1eka 1
14 1 . . . rr_1eka 1
15 1 . . . rr_1eka 1
16 1 . . . rr_1eka 1
17 1 . . . rr_1eka 1
18 1 . . . rr_1eka 1
19 1 . . . rr_1eka 1
20 1 . . . rr_1eka 1
21 1 . . . rr_1eka 1
22 1 . . . rr_1eka 1
23 1 . . . rr_1eka 1
24 1 . . . rr_1eka 1
25 1 . . . rr_1eka 1
26 1 . . . rr_1eka 1
27 1 . . . rr_1eka 1
28 1 . . . rr_1eka 1
29 1 . . . rr_1eka 1
30 1 . . . rr_1eka 1
31 1 . . . rr_1eka 1
32 1 . . . rr_1eka 1
33 1 . . . rr_1eka 1
34 1 . . . rr_1eka 1
35 1 . . . rr_1eka 1
36 1 . . . rr_1eka 1
37 1 . . . rr_1eka 1
38 1 . . . rr_1eka 1
39 1 . . . rr_1eka 1
40 1 . . . rr_1eka 1
41 1 . . . rr_1eka 1
42 1 . . . rr_1eka 1
43 1 . . . rr_1eka 1
44 1 . . . rr_1eka 1
45 1 . . . rr_1eka 1
46 1 . . . rr_1eka 1
47 1 . . . rr_1eka 1
48 1 . . . rr_1eka 1
49 1 . . . rr_1eka 1
50 1 . . . rr_1eka 1
51 1 . . . rr_1eka 1
52 1 . . . rr_1eka 1
53 1 . . . rr_1eka 1
54 1 . . . rr_1eka 1
55 1 . . . rr_1eka 1
56 1 . . . rr_1eka 1
57 1 . . . rr_1eka 1
58 1 . . . rr_1eka 1
59 1 . . . rr_1eka 1
60 1 . . . rr_1eka 1
61 1 . . . rr_1eka 1
62 1 . . . rr_1eka 1
63 1 . . . rr_1eka 1
64 1 . . . rr_1eka 1
65 1 . . . rr_1eka 1
66 1 . . . rr_1eka 1
67 1 . . . rr_1eka 1
68 1 . . . rr_1eka 1
69 1 . . . rr_1eka 1
70 1 . . . rr_1eka 1
71 1 . . . rr_1eka 1
72 1 . . . rr_1eka 1
73 1 . . . rr_1eka 1
74 1 . . . rr_1eka 1
75 1 . . . rr_1eka 1
76 1 . . . rr_1eka 1
77 1 . . . rr_1eka 1
78 1 . . . rr_1eka 1
79 1 . . . rr_1eka 1
80 1 . . . rr_1eka 1
81 1 . . . rr_1eka 1
82 1 . . . rr_1eka 1
83 1 . . . rr_1eka 1
84 1 . . . rr_1eka 1
85 1 . . . rr_1eka 1
86 1 . . . rr_1eka 1
87 1 . . . rr_1eka 1
88 1 . . . rr_1eka 1
89 1 . . . rr_1eka 1
90 1 . . . rr_1eka 1
91 1 . . . rr_1eka 1
92 1 . . . rr_1eka 1
93 1 . . . rr_1eka 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 1 1 G H1' H . . 1 . 1 G5' H1' rr_1eka 1
1 1 . 2 . 1 1 1 1 G H8 H . . 1 . 1 G5' H8 rr_1eka 1
2 1 . 1 . 1 1 2 2 A H1' H . . 1 . 2 A H1' rr_1eka 1
2 1 . 2 . 1 1 2 2 A H8 H . . 1 . 2 A H8 rr_1eka 1
3 1 . 1 . 1 1 2 2 A H1' H . . 1 . 2 A H1' rr_1eka 1
3 1 . 2 . 1 1 3 3 G H8 H . . 1 . 3 G H8 rr_1eka 1
4 1 . 1 . 1 1 3 3 G H1' H . . 1 . 3 G H1' rr_1eka 1
4 1 . 2 . 1 1 3 3 G H8 H . . 1 . 3 G H8 rr_1eka 1
5 1 . 1 . 1 1 3 3 G H1' H . . 1 . 3 G H1' rr_1eka 1
5 1 . 2 . 1 1 4 4 U H6 H . . 1 . 4 U H6 rr_1eka 1
6 1 . 1 . 1 1 4 4 U H1' H . . 1 . 4 U H1' rr_1eka 1
6 1 . 2 . 1 1 4 4 U H6 H . . 1 . 4 U H6 rr_1eka 1
7 1 . 1 . 1 1 5 5 G H1' H . . 1 . 5 G H1' rr_1eka 1
7 1 . 2 . 1 1 5 5 G H8 H . . 1 . 5 G H8 rr_1eka 1
8 1 . 1 . 1 1 5 5 G H1' H . . 1 . 5 G H1' rr_1eka 1
8 1 . 2 . 1 1 6 6 C H6 H . . 1 . 6 C H6 rr_1eka 1
9 1 . 1 . 1 1 6 6 C H1' H . . 1 . 6 C H1' rr_1eka 1
9 1 . 2 . 1 1 6 6 C H6 H . . 1 . 6 C H6 rr_1eka 1
10 1 . 1 . 1 1 7 7 U H1' H . . 1 . 7 U H1' rr_1eka 1
10 1 . 2 . 1 1 7 7 U H6 H . . 1 . 7 U H6 rr_1eka 1
11 1 . 1 . 1 1 8 8 C H1' H . . 1 . 8 C3' H1' rr_1eka 1
11 1 . 2 . 1 1 8 8 C H6 H . . 1 . 8 C3' H6 rr_1eka 1
12 1 . 1 . 1 1 3 3 G H1' H . . 1 . 3 G H1' rr_1eka 1
12 1 . 2 . 1 1 2 2 A H2 H . . 1 . 2 A H2 rr_1eka 1
13 1 . 1 . 1 1 2 2 A H1' H . . 1 . 2 A H1' rr_1eka 1
13 1 . 2 . 1 1 2 2 A H2 H . . 1 . 2 A H2 rr_1eka 1
14 1 . 1 . 1 1 8 8 C H5 H . . 1 . 8 C3' H5 rr_1eka 1
14 1 . 2 . 1 1 8 8 C H6 H . . 1 . 8 C3' H6 rr_1eka 1
15 1 . 1 . 1 1 7 7 U H5 H . . 1 . 7 U H5 rr_1eka 1
15 1 . 2 . 1 1 7 7 U H6 H . . 1 . 7 U H6 rr_1eka 1
16 1 . 1 . 1 1 6 6 C H5 H . . 1 . 6 C H5 rr_1eka 1
16 1 . 2 . 1 1 6 6 C H6 H . . 1 . 6 C H6 rr_1eka 1
17 1 . 1 . 1 1 4 4 U H5 H . . 1 . 4 U H5 rr_1eka 1
17 1 . 2 . 1 1 4 4 U H6 H . . 1 . 4 U H6 rr_1eka 1
18 1 . 1 . 1 1 5 5 G H8 H . . 1 . 5 G H8 rr_1eka 1
18 1 . 2 . 1 1 4 4 U H1' H . . 1 . 4 U H1' rr_1eka 1
19 1 . 1 . 1 1 8 8 C H5 H . . 1 . 8 C3' H5 rr_1eka 1
19 1 . 2 . 1 1 7 7 U H6 H . . 1 . 7 U H6 rr_1eka 1
20 1 . 1 . 1 1 6 6 C H5 H . . 1 . 6 C H5 rr_1eka 1
20 1 . 2 . 1 1 5 5 G H8 H . . 1 . 5 G H8 rr_1eka 1
21 1 . 1 . 1 1 4 4 U H5 H . . 1 . 4 U H5 rr_1eka 1
21 1 . 2 . 1 1 3 3 G H8 H . . 1 . 3 G H8 rr_1eka 1
22 1 . 1 . 1 1 1 1 G H2' H . . 1 . 1 G5' H2' rr_1eka 1
22 1 . 2 . 1 1 1 1 G H1' H . . 1 . 1 G5' H1' rr_1eka 1
23 1 . 1 . 1 1 2 2 A H2' H . . 1 . 2 A H2' rr_1eka 1
23 1 . 2 . 1 1 2 2 A H1' H . . 1 . 2 A H1' rr_1eka 1
24 1 . 1 . 1 1 3 3 G H2' H . . 1 . 3 G H2' rr_1eka 1
24 1 . 2 . 1 1 3 3 G H1' H . . 1 . 3 G H1' rr_1eka 1
25 1 . 1 . 1 1 6 6 C H2' H . . 1 . 6 C H2' rr_1eka 1
25 1 . 2 . 1 1 6 6 C H1' H . . 1 . 6 C H1' rr_1eka 1
26 1 . 1 . 1 1 7 7 U H2' H . . 1 . 7 U H2' rr_1eka 1
26 1 . 2 . 1 1 7 7 U H1' H . . 1 . 7 U H1' rr_1eka 1
27 1 . 1 . 1 1 8 8 C H2' H . . 1 . 8 C3' H2' rr_1eka 1
27 1 . 2 . 1 1 8 8 C H1' H . . 1 . 8 C3' H1' rr_1eka 1
28 1 . 1 . 1 1 3 3 G H4' H . . 1 . 3 G H4' rr_1eka 1
28 1 . 2 . 1 1 3 3 G H1' H . . 1 . 3 G H1' rr_1eka 1
29 1 . 1 . 1 1 6 6 C H4' H . . 1 . 6 C H4' rr_1eka 1
29 1 . 2 . 1 1 6 6 C H1' H . . 1 . 6 C H1' rr_1eka 1
30 1 . 1 . 1 1 8 8 C H3' H . . 1 . 8 C3' H3' rr_1eka 1
30 1 . 2 . 1 1 8 8 C H1' H . . 1 . 8 C3' H1' rr_1eka 1
31 1 . 1 . 1 1 8 8 C H3' H . . 1 . 8 C3' H3' rr_1eka 1
31 1 . 2 . 1 1 8 8 C H5 H . . 1 . 8 C3' H5 rr_1eka 1
32 1 . 1 . 1 1 5 5 G H3' H . . 1 . 5 G H3' rr_1eka 1
32 1 . 2 . 1 1 5 5 G H1' H . . 1 . 5 G H1' rr_1eka 1
33 1 . 1 . 1 1 5 5 G H4' H . . 1 . 5 G H4' rr_1eka 1
33 1 . 2 . 1 1 5 5 G H1' H . . 1 . 5 G H1' rr_1eka 1
34 1 . 1 . 1 1 6 6 C H3' H . . 1 . 6 C H3' rr_1eka 1
34 1 . 2 . 1 1 6 6 C H1' H . . 1 . 6 C H1' rr_1eka 1
35 1 . 1 . 1 1 5 5 G H3' H . . 1 . 5 G H3' rr_1eka 1
35 1 . 2 . 1 1 6 6 C H5 H . . 1 . 6 C H5 rr_1eka 1
36 1 . 1 . 1 1 6 6 C H2' H . . 1 . 6 C H2' rr_1eka 1
36 1 . 2 . 1 1 7 7 U H5 H . . 1 . 7 U H5 rr_1eka 1
37 1 . 1 . 1 1 3 3 G H2' H . . 1 . 3 G H2' rr_1eka 1
37 1 . 2 . 1 1 4 4 U H5 H . . 1 . 4 U H5 rr_1eka 1
38 1 . 1 . 1 1 2 2 A H2' H . . 1 . 2 A H2' rr_1eka 1
38 1 . 2 . 1 1 3 3 G H1' H . . 1 . 3 G H1' rr_1eka 1
39 1 . 1 . 1 1 3 3 G H2' H . . 1 . 3 G H2' rr_1eka 1
39 1 . 2 . 1 1 4 4 U H1' H . . 1 . 4 U H1' rr_1eka 1
40 1 . 1 . 1 1 6 6 C H2' H . . 1 . 6 C H2' rr_1eka 1
40 1 . 2 . 1 1 7 7 U H1' H . . 1 . 7 U H1' rr_1eka 1
41 1 . 1 . 1 1 7 7 U H2' H . . 1 . 7 U H2' rr_1eka 1
41 1 . 2 . 1 1 8 8 C H1' H . . 1 . 8 C3' H1' rr_1eka 1
42 1 . 1 . 1 1 1 1 G H4' H . . 1 . 1 G5' H4' rr_1eka 1
42 1 . 2 . 1 1 1 1 G H1' H . . 1 . 1 G5' H1' rr_1eka 1
43 1 . 1 . 1 1 7 7 U H3' H . . 1 . 7 U H3' rr_1eka 1
43 1 . 2 . 1 1 8 8 C H5 H . . 1 . 8 C3' H5 rr_1eka 1
44 1 . 1 . 1 1 7 7 U H2' H . . 1 . 7 U H2' rr_1eka 1
44 1 . 2 . 1 1 8 8 C H5 H . . 1 . 8 C3' H5 rr_1eka 1
45 1 . 1 . 1 1 8 8 C H2' H . . 1 . 8 C3' H2' rr_1eka 1
45 1 . 2 . 1 1 8 8 C H5 H . . 1 . 8 C3' H5 rr_1eka 1
46 1 . 1 . 1 1 1 1 G H2' H . . 1 . 1 G5' H2' rr_1eka 1
46 1 . 2 . 1 1 1 1 G H8 H . . 1 . 1 G5' H8 rr_1eka 1
47 1 . 1 . 1 1 1 1 G H5' H . . 1 . 1 G5' H5'1 rr_1eka 1
47 1 . 2 . 1 1 1 1 G H8 H . . 1 . 1 G5' H8 rr_1eka 1
48 1 . 1 . 1 1 1 1 G H2' H . . 1 . 1 G5' H2' rr_1eka 1
48 1 . 2 . 1 1 2 2 A H8 H . . 1 . 2 A H8 rr_1eka 1
49 1 . 1 . 1 1 1 1 G H3' H . . 1 . 1 G5' H3' rr_1eka 1
49 1 . 2 . 1 1 2 2 A H8 H . . 1 . 2 A H8 rr_1eka 1
50 1 . 1 . 1 1 3 3 G H2' H . . 1 . 3 G H2' rr_1eka 1
50 1 . 2 . 1 1 3 3 G H8 H . . 1 . 3 G H8 rr_1eka 1
51 1 . 1 . 1 1 3 3 G H3' H . . 1 . 3 G H3' rr_1eka 1
51 1 . 2 . 1 1 3 3 G H8 H . . 1 . 3 G H8 rr_1eka 1
52 1 . 1 . 1 1 3 3 G H5' H . . 1 . 3 G H5'1 rr_1eka 1
52 1 . 2 . 1 1 3 3 G H8 H . . 1 . 3 G H8 rr_1eka 1
53 1 . 1 . 1 1 3 3 G H2' H . . 1 . 3 G H2' rr_1eka 1
53 1 . 2 . 1 1 4 4 U H6 H . . 1 . 4 U H6 rr_1eka 1
54 1 . 1 . 1 1 4 4 U H2' H . . 1 . 4 U H2' rr_1eka 1
54 1 . 2 . 1 1 4 4 U H6 H . . 1 . 4 U H6 rr_1eka 1
55 1 . 1 . 1 1 3 3 G H3' H . . 1 . 3 G H3' rr_1eka 1
55 1 . 2 . 1 1 4 4 U H6 H . . 1 . 4 U H6 rr_1eka 1
56 1 . 1 . 1 1 4 4 U H3' H . . 1 . 4 U H3' rr_1eka 1
56 1 . 2 . 1 1 4 4 U H6 H . . 1 . 4 U H6 rr_1eka 1
57 1 . 1 . 1 1 4 4 U H5' H . . 1 . 4 U H5'1 rr_1eka 1
57 1 . 2 . 1 1 4 4 U H6 H . . 1 . 4 U H6 rr_1eka 1
58 1 . 1 . 1 1 4 4 U H2' H . . 1 . 4 U H2' rr_1eka 1
58 1 . 2 . 1 1 5 5 G H8 H . . 1 . 5 G H8 rr_1eka 1
59 1 . 1 . 1 1 7 7 U H3' H . . 1 . 7 U H3' rr_1eka 1
59 1 . 2 . 1 1 8 8 C H6 H . . 1 . 8 C3' H6 rr_1eka 1
60 1 . 1 . 1 1 5 5 G H3' H . . 1 . 5 G H3' rr_1eka 1
60 1 . 2 . 1 1 5 5 G H8 H . . 1 . 5 G H8 rr_1eka 1
61 1 . 1 . 1 1 5 5 G H3' H . . 1 . 5 G H3' rr_1eka 1
61 1 . 2 . 1 1 6 6 C H6 H . . 1 . 6 C H6 rr_1eka 1
62 1 . 1 . 1 1 6 6 C H2' H . . 1 . 6 C H2' rr_1eka 1
62 1 . 2 . 1 1 7 7 U H6 H . . 1 . 7 U H6 rr_1eka 1
63 1 . 1 . 1 1 7 7 U H4' H . . 1 . 7 U H4' rr_1eka 1
63 1 . 2 . 1 1 7 7 U H6 H . . 1 . 7 U H6 rr_1eka 1
64 1 . 1 . 1 1 7 7 U H2' H . . 1 . 7 U H2' rr_1eka 1
64 1 . 2 . 1 1 7 7 U H6 H . . 1 . 7 U H6 rr_1eka 1
65 1 . 1 . 1 1 6 6 C H3' H . . 1 . 6 C H3' rr_1eka 1
65 1 . 2 . 1 1 7 7 U H6 H . . 1 . 7 U H6 rr_1eka 1
66 1 . 1 . 1 1 7 7 U H5' H . . 1 . 7 U H5'1 rr_1eka 1
66 1 . 2 . 1 1 7 7 U H6 H . . 1 . 7 U H6 rr_1eka 1
67 1 . 1 . 1 1 2 2 A H5' H . . 1 . 2 A H5'1 rr_1eka 1
67 1 . 2 . 1 1 2 2 A H8 H . . 1 . 2 A H8 rr_1eka 1
68 1 . 1 . 1 1 7 7 U H2' H . . 1 . 7 U H2' rr_1eka 1
68 1 . 2 . 1 1 8 8 C H6 H . . 1 . 8 C3' H6 rr_1eka 1
69 1 . 1 . 1 1 8 8 C H3' H . . 1 . 8 C3' H3' rr_1eka 1
69 1 . 2 . 1 1 8 8 C H6 H . . 1 . 8 C3' H6 rr_1eka 1
70 1 . 1 . 1 1 8 8 C H2' H . . 1 . 8 C3' H2' rr_1eka 1
70 1 . 2 . 1 1 8 8 C H6 H . . 1 . 8 C3' H6 rr_1eka 1
71 1 . 1 . 1 1 8 8 C H4' H . . 1 . 8 C3' H4' rr_1eka 1
71 1 . 2 . 1 1 8 8 C H6 H . . 1 . 8 C3' H6 rr_1eka 1
72 1 . 1 . 1 1 5 5 G H2' H . . 1 . 5 G H2' rr_1eka 1
72 1 . 2 . 1 1 6 6 C H6 H . . 1 . 6 C H6 rr_1eka 1
73 1 . 1 . 1 1 5 5 G H2' H . . 1 . 5 G H2' rr_1eka 1
73 1 . 2 . 1 1 5 5 G H1' H . . 1 . 5 G H1' rr_1eka 1
74 1 . 1 . 1 1 3 3 G H8 H . . 1 . 3 G H8 rr_1eka 1
74 1 . 2 . 1 1 4 4 U H6 H . . 1 . 4 U H6 rr_1eka 1
75 1 . 1 . 1 1 3 3 G H8 H . . 1 . 3 G H8 rr_1eka 1
75 1 . 2 . 1 1 2 2 A H8 H . . 1 . 2 A H8 rr_1eka 1
76 1 . 1 . 1 1 1 1 G H2' H . . 1 . 1 G5' H2' rr_1eka 1
76 1 . 2 . 1 1 2 2 A H1' H . . 1 . 2 A H1' rr_1eka 1
77 1 . 1 . 1 1 1 1 G H3' H . . 1 . 1 G5' H3' rr_1eka 1
77 1 . 2 . 1 1 1 1 G H1' H . . 1 . 1 G5' H1' rr_1eka 1
78 1 . 1 . 1 1 3 3 G H3' H . . 1 . 3 G H3' rr_1eka 1
78 1 . 2 . 1 1 4 4 U H5 H . . 1 . 4 U H5 rr_1eka 1
79 1 . 1 . 1 1 4 4 U H2' H . . 1 . 4 U H2' rr_1eka 1
79 1 . 2 . 1 1 4 4 U H5 H . . 1 . 4 U H5 rr_1eka 1
80 1 . 1 . 1 1 4 4 U H2' H . . 1 . 4 U H2' rr_1eka 1
80 1 . 2 . 1 1 4 4 U H1' H . . 1 . 4 U H1' rr_1eka 1
81 1 . 1 . 1 1 7 7 U H4' H . . 1 . 7 U H4' rr_1eka 1
81 1 . 2 . 1 1 7 7 U H1' H . . 1 . 7 U H1' rr_1eka 1
82 1 . 1 . 1 1 4 4 U H3' H . . 1 . 4 U H3' rr_1eka 1
82 1 . 2 . 1 1 4 4 U H1' H . . 1 . 4 U H1' rr_1eka 1
83 1 . 1 . 1 1 4 4 U H3' H . . 1 . 4 U H3' rr_1eka 1
83 1 . 2 . 1 1 4 4 U H5 H . . 1 . 4 U H5 rr_1eka 1
84 1 . 1 . 1 1 7 7 U H3' H . . 1 . 7 U H3' rr_1eka 1
84 1 . 2 . 1 1 7 7 U H1' H . . 1 . 7 U H1' rr_1eka 1
85 1 . 1 . 1 1 7 7 U H3' H . . 1 . 7 U H3' rr_1eka 1
85 1 . 2 . 1 1 7 7 U H5 H . . 1 . 7 U H5 rr_1eka 1
86 1 . 1 . 1 1 1 1 G H3' H . . 1 . 1 G5' H3' rr_1eka 1
86 1 . 2 . 1 1 1 1 G H8 H . . 1 . 1 G5' H8 rr_1eka 1
87 1 . 1 . 1 1 2 2 A H2' H . . 1 . 2 A H2' rr_1eka 1
87 1 . 2 . 1 1 2 2 A H8 H . . 1 . 2 A H8 rr_1eka 1
88 1 . 1 . 1 1 2 2 A H3' H . . 1 . 2 A H3' rr_1eka 1
88 1 . 2 . 1 1 2 2 A H8 H . . 1 . 2 A H8 rr_1eka 1
89 1 . 1 . 1 1 2 2 A H2' H . . 1 . 2 A H2' rr_1eka 1
89 1 . 2 . 1 1 3 3 G H8 H . . 1 . 3 G H8 rr_1eka 1
90 1 . 1 . 1 1 2 2 A H3' H . . 1 . 2 A H3' rr_1eka 1
90 1 . 2 . 1 1 3 3 G H8 H . . 1 . 3 G H8 rr_1eka 1
91 1 . 1 . 1 1 6 6 C H3' H . . 1 . 6 C H3' rr_1eka 1
91 1 . 2 . 1 1 6 6 C H6 H . . 1 . 6 C H6 rr_1eka 1
92 1 . 1 . 1 1 6 6 C H2' H . . 1 . 6 C H2' rr_1eka 1
92 1 . 2 . 1 1 6 6 C H6 H . . 1 . 6 C H6 rr_1eka 1
93 1 . 1 . 1 1 7 7 U H3' H . . 1 . 7 U H3' rr_1eka 1
93 1 . 2 . 1 1 7 7 U H6 H . . 1 . 7 U H6 rr_1eka 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 . . . . . . . 2.917 4.375 rr_1eka 1
2 1 . . . . . . . 2.887 4.331 rr_1eka 1
3 1 . . . . . . . 3.158 4.736 rr_1eka 1
4 1 . . . . . . . 2.818 4.226 rr_1eka 1
5 1 . . . . . . . 3.196 4.794 rr_1eka 1
6 1 . . . . . . . 2.943 4.415 rr_1eka 1
7 1 . . . . . . . 2.867 4.301 rr_1eka 1
8 1 . . . . . . . 3.166 4.749 rr_1eka 1
9 1 . . . . . . . 2.913 4.370 rr_1eka 1
10 1 . . . . . . . 2.806 4.209 rr_1eka 1
11 1 . . . . . . . 2.823 4.235 rr_1eka 1
12 1 . . . . . . . 2.537 3.806 rr_1eka 1
13 1 . . . . . . . 4.286 5.000 rr_1eka 1
14 1 . . . . . . . 1.902 2.853 rr_1eka 1
15 1 . . . . . . . 1.942 2.913 rr_1eka 1
16 1 . . . . . . . 2.057 3.085 rr_1eka 1
17 1 . . . . . . . 1.961 2.942 rr_1eka 1
18 1 . . . . . . . 2.721 5.000 rr_1eka 1
19 1 . . . . . . . 3.113 4.670 rr_1eka 1
20 1 . . . . . . . 3.021 4.531 rr_1eka 1
21 1 . . . . . . . 3.560 5.000 rr_1eka 1
22 1 . . . . . . . 2.102 3.152 rr_1eka 1
23 1 . . . . . . . 2.271 3.407 rr_1eka 1
24 1 . . . . . . . 2.061 3.091 rr_1eka 1
25 1 . . . . . . . 1.860 3.455 rr_1eka 1
26 1 . . . . . . . 2.001 3.001 rr_1eka 1
27 1 . . . . . . . 2.079 3.118 rr_1eka 1
28 1 . . . . . . . 2.735 5.000 rr_1eka 1
29 1 . . . . . . . 2.760 4.140 rr_1eka 1
30 1 . . . . . . . 2.432 3.648 rr_1eka 1
31 1 . . . . . . . 3.185 4.777 rr_1eka 1
32 1 . . . . . . . 3.302 4.953 rr_1eka 1
33 1 . . . . . . . 3.511 5.000 rr_1eka 1
34 1 . . . . . . . 2.737 5.000 rr_1eka 1
35 1 . . . . . . . 2.612 4.850 rr_1eka 1
36 1 . . . . . . . 2.239 4.158 rr_1eka 1
37 1 . . . . . . . 2.320 4.309 rr_1eka 1
38 1 . . . . . . . 2.977 4.465 rr_1eka 1
39 1 . . . . . . . 3.515 5.000 rr_1eka 1
40 1 . . . . . . . 2.426 4.506 rr_1eka 1
41 1 . . . . . . . 3.733 5.000 rr_1eka 1
42 1 . . . . . . . 2.438 4.529 rr_1eka 1
43 1 . . . . . . . 3.486 5.000 rr_1eka 1
44 1 . . . . . . . 2.651 3.977 rr_1eka 1
45 1 . . . . . . . 3.223 4.834 rr_1eka 1
46 1 . . . . . . . 2.250 4.178 rr_1eka 1
47 1 . . . . . . . 2.766 4.149 rr_1eka 1
48 1 . . . . . . . 1.681 3.121 rr_1eka 1
49 1 . . . . . . . 1.954 3.629 rr_1eka 1
50 1 . . . . . . . 2.971 4.457 rr_1eka 1
51 1 . . . . . . . 2.432 3.648 rr_1eka 1
52 1 . . . . . . . 3.086 4.629 rr_1eka 1
53 1 . . . . . . . 1.611 3.991 rr_1eka 1
54 1 . . . . . . . 1.614 4.767 rr_1eka 1
55 1 . . . . . . . 1.654 4.860 rr_1eka 1
56 1 . . . . . . . 1.744 3.239 rr_1eka 1
57 1 . . . . . . . 2.759 4.138 rr_1eka 1
58 1 . . . . . . . 1.962 2.943 rr_1eka 1
59 1 . . . . . . . 1.926 3.576 rr_1eka 1
60 1 . . . . . . . 1.859 3.453 rr_1eka 1
61 1 . . . . . . . 1.846 3.428 rr_1eka 1
62 1 . . . . . . . 1.782 2.673 rr_1eka 1
63 1 . . . . . . . 2.716 4.074 rr_1eka 1
64 1 . . . . . . . 2.823 4.235 rr_1eka 1
65 1 . . . . . . . 2.419 3.629 rr_1eka 1
66 1 . . . . . . . 2.809 4.213 rr_1eka 1
67 1 . . . . . . . 2.730 4.095 rr_1eka 1
68 1 . . . . . . . 1.585 2.944 rr_1eka 1
69 1 . . . . . . . 1.653 3.070 rr_1eka 1
70 1 . . . . . . . 2.106 3.911 rr_1eka 1
71 1 . . . . . . . 2.262 4.201 rr_1eka 1
72 1 . . . . . . . 1.836 3.409 rr_1eka 1
73 1 . . . . . . . 2.567 4.767 rr_1eka 1
74 1 . . . . . . . 3.731 5.000 rr_1eka 1
75 1 . . . . . . . 3.708 5.000 rr_1eka 1
76 1 . . . . . . . 1.600 6.000 rr_1eka 1
77 1 . . . . . . . 1.600 6.000 rr_1eka 1
78 1 . . . . . . . 2.700 6.000 rr_1eka 1
79 1 . . . . . . . 2.300 6.000 rr_1eka 1
80 1 . . . . . . . 1.600 3.500 rr_1eka 1
81 1 . . . . . . . 1.600 6.000 rr_1eka 1
82 1 . . . . . . . 1.600 6.000 rr_1eka 1
83 1 . . . . . . . 1.600 6.000 rr_1eka 1
84 1 . . . . . . . 1.600 6.000 rr_1eka 1
85 1 . . . . . . . 1.600 6.000 rr_1eka 1
86 1 . . . . . . . 1.600 6.000 rr_1eka 1
87 1 . . . . . . . 1.600 6.000 rr_1eka 1
88 1 . . . . . . . 1.600 6.000 rr_1eka 1
89 1 . . . . . . . 1.600 4.000 rr_1eka 1
90 1 . . . . . . . 1.600 6.000 rr_1eka 1
91 1 . . . . . . . 1.600 6.000 rr_1eka 1
92 1 . . . . . . . 1.600 6.000 rr_1eka 1
93 1 . . . . . . . 1.600 6.000 rr_1eka 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 distance 1 1 1 9 rr_1eka 1
2 "Sugar H1' to H2' region begins" 24 1 26 1 rr_1eka 1
3 "Base to sugar begins here" 51 1 53 1 rr_1eka 1
4 "1:G_5:H5'1 1:G_5:H8 1.833 3.404 25.000 25.000 1000.000" 69 1 69 71 rr_1eka 1
5
;some specail begins here
because of severe overlap, the distance is limited between
1.6 and 6 Angstroms. suagr H1' to H2' region
;
85 1 92 1 rr_1eka 1
6 "base to sugar region" 103 1 104 21 rr_1eka 1
7 "The second strand begins here!" 113 1 116 1 rr_1eka 1
8
;1:C3'_8B:H2' 1:G5'_1:H1' 2.835 4.253 25.000 25.000 1000.000
1:A_2B:H4' 1:A_2B:H1' 3.590 5.000 25.000 25.000 1000.000
;
146 1 147 71 rr_1eka 1
9 "1:G_5B:H5'1 1:G_5B:H8 1.833 3.404 25.000 25.000 1000.000" 178 1 178 71 rr_1eka 1
10
;some specail begins here
because of severe overlap, the distance is limited between
1.6 and 6 Angstroms. suagr H1' to H2' region
;
194 1 201 1 rr_1eka 1
11 "base to sugar region" 212 1 212 21 rr_1eka 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 12 1 "Not handling restraint 12, item 1, resonance(s) 'B.2.H2' (nmrStar names) not linked" rr_1eka 1
2 2 95 1 "Not handling restraint 95, item 1, resonance(s) 'B.1.H1'' (nmrStar names),'B.1.H8' (nmrStar names) not linked" rr_1eka 1
3 2 96 1 "Not handling restraint 96, item 1, resonance(s) 'B.2.H1'' (nmrStar names),'B.2.H8' (nmrStar names) not linked" rr_1eka 1
4 2 97 1 "Not handling restraint 97, item 1, resonance(s) 'B.2.H1'' (nmrStar names),'B.3.H8' (nmrStar names) not linked" rr_1eka 1
5 2 98 1 "Not handling restraint 98, item 1, resonance(s) 'B.3.H8' (nmrStar names),'B.3.H1'' (nmrStar names) not linked" rr_1eka 1
6 2 99 1 "Not handling restraint 99, item 1, resonance(s) 'B.3.H1'' (nmrStar names),'B.4.H6' (nmrStar names) not linked" rr_1eka 1
7 2 100 1 "Not handling restraint 100, item 1, resonance(s) 'B.4.H6' (nmrStar names),'B.4.H1'' (nmrStar names) not linked" rr_1eka 1
8 2 101 1 "Not handling restraint 101, item 1, resonance(s) 'B.5.H1'' (nmrStar names),'B.5.H8' (nmrStar names) not linked" rr_1eka 1
9 2 102 1 "Not handling restraint 102, item 1, resonance(s) 'B.5.H1'' (nmrStar names),'B.6.H6' (nmrStar names) not linked" rr_1eka 1
10 2 103 1 "Not handling restraint 103, item 1, resonance(s) 'B.6.H6' (nmrStar names),'B.6.H1'' (nmrStar names) not linked" rr_1eka 1
11 2 104 1 "Not handling restraint 104, item 1, resonance(s) 'B.7.H1'' (nmrStar names),'B.7.H6' (nmrStar names) not linked" rr_1eka 1
12 2 105 1 "Not handling restraint 105, item 1, resonance(s) 'B.8.H1'' (nmrStar names),'B.8.H6' (nmrStar names) not linked" rr_1eka 1
13 2 106 1 "Not handling restraint 106, item 1, resonance(s) 'B.8.H1'' (nmrStar names) not linked" rr_1eka 1
14 2 107 1 "Not handling restraint 107, item 1, resonance(s) 'B.2.H2' (nmrStar names),'B.3.H1'' (nmrStar names) not linked" rr_1eka 1
15 2 108 1 "Not handling restraint 108, item 1, resonance(s) 'B.2.H2' (nmrStar names),'B.2.H1'' (nmrStar names) not linked" rr_1eka 1
16 2 109 1 "Not handling restraint 109, item 1, resonance(s) 'B.8.H6' (nmrStar names),'B.8.H5' (nmrStar names) not linked" rr_1eka 1
17 2 110 1 "Not handling restraint 110, item 1, resonance(s) 'B.7.H6' (nmrStar names),'B.7.H5' (nmrStar names) not linked" rr_1eka 1
18 2 111 1 "Not handling restraint 111, item 1, resonance(s) 'B.6.H6' (nmrStar names),'B.6.H5' (nmrStar names) not linked" rr_1eka 1
19 2 112 1 "Not handling restraint 112, item 1, resonance(s) 'B.4.H6' (nmrStar names),'B.4.H5' (nmrStar names) not linked" rr_1eka 1
20 2 113 1 "Not handling restraint 113, item 1, resonance(s) 'B.4.H1'' (nmrStar names),'B.5.H8' (nmrStar names) not linked" rr_1eka 1
21 2 114 1 "Not handling restraint 114, item 1, resonance(s) 'B.7.H1'' (nmrStar names),'B.8.H6' (nmrStar names) not linked" rr_1eka 1
22 2 115 1 "Not handling restraint 115, item 1, resonance(s) 'B.7.H6' (nmrStar names),'B.8.H5' (nmrStar names) not linked" rr_1eka 1
23 2 116 1 "Not handling restraint 116, item 1, resonance(s) 'B.5.H8' (nmrStar names),'B.6.H5' (nmrStar names) not linked" rr_1eka 1
24 2 117 1 "Not handling restraint 117, item 1, resonance(s) 'B.3.H8' (nmrStar names),'B.4.H5' (nmrStar names) not linked" rr_1eka 1
25 2 118 1 "Not handling restraint 118, item 1, resonance(s) 'B.1.H1'' (nmrStar names),'B.1.H2'' (nmrStar names) not linked" rr_1eka 1
26 2 119 1 "Not handling restraint 119, item 1, resonance(s) 'B.2.H1'' (nmrStar names),'B.2.H2'' (nmrStar names) not linked" rr_1eka 1
27 2 120 1 "Not handling restraint 120, item 1, resonance(s) 'B.3.H1'' (nmrStar names),'B.3.H2'' (nmrStar names) not linked" rr_1eka 1
28 2 121 1 "Not handling restraint 121, item 1, resonance(s) 'B.6.H1'' (nmrStar names),'B.6.H2'' (nmrStar names) not linked" rr_1eka 1
29 2 122 1 "Not handling restraint 122, item 1, resonance(s) 'B.7.H1'' (nmrStar names),'B.7.H2'' (nmrStar names) not linked" rr_1eka 1
30 2 123 1 "Not handling restraint 123, item 1, resonance(s) 'B.8.H1'' (nmrStar names),'B.8.H2'' (nmrStar names) not linked" rr_1eka 1
31 2 124 1 "Not handling restraint 124, item 1, resonance(s) 'B.3.H1'' (nmrStar names),'B.3.H4'' (nmrStar names) not linked" rr_1eka 1
32 2 125 1 "Not handling restraint 125, item 1, resonance(s) 'B.6.H1'' (nmrStar names),'B.6.H4'' (nmrStar names) not linked" rr_1eka 1
33 2 126 1 "Not handling restraint 126, item 1, resonance(s) 'B.8.H1'' (nmrStar names),'B.8.H3'' (nmrStar names) not linked" rr_1eka 1
34 2 127 1 "Not handling restraint 127, item 1, resonance(s) 'B.8.H5' (nmrStar names),'B.8.H3'' (nmrStar names) not linked" rr_1eka 1
35 2 128 1 "Not handling restraint 128, item 1, resonance(s) 'B.5.H1'' (nmrStar names),'B.5.H3'' (nmrStar names) not linked" rr_1eka 1
36 2 129 1 "Not handling restraint 129, item 1, resonance(s) 'B.6.H1'' (nmrStar names),'B.6.H3'' (nmrStar names) not linked" rr_1eka 1
37 2 130 1 "Not handling restraint 130, item 1, resonance(s) 'B.6.H5' (nmrStar names),'B.5.H3'' (nmrStar names) not linked" rr_1eka 1
38 2 131 1 "Not handling restraint 131, item 1, resonance(s) 'B.7.H5' (nmrStar names),'B.6.H2'' (nmrStar names) not linked" rr_1eka 1
39 2 132 1 "Not handling restraint 132, item 1, resonance(s) 'B.4.H5' (nmrStar names),'B.3.H2'' (nmrStar names) not linked" rr_1eka 1
40 2 133 1 "Not handling restraint 133, item 1, resonance(s) 'B.3.H1'' (nmrStar names),'B.2.H2'' (nmrStar names) not linked" rr_1eka 1
41 2 134 1 "Not handling restraint 134, item 1, resonance(s) 'B.4.H1'' (nmrStar names),'B.3.H2'' (nmrStar names) not linked" rr_1eka 1
42 2 135 1 "Not handling restraint 135, item 1, resonance(s) 'B.7.H1'' (nmrStar names),'B.6.H2'' (nmrStar names) not linked" rr_1eka 1
43 2 136 1 "Not handling restraint 136, item 1, resonance(s) 'B.8.H1'' (nmrStar names),'B.7.H2'' (nmrStar names) not linked" rr_1eka 1
44 2 137 1 "Not handling restraint 137, item 1, resonance(s) 'B.1.H1'' (nmrStar names),'B.1.H4'' (nmrStar names) not linked" rr_1eka 1
45 2 138 1 "Not handling restraint 138, item 1, resonance(s) 'B.8.H5' (nmrStar names),'B.7.H3'' (nmrStar names) not linked" rr_1eka 1
46 2 139 1 "Not handling restraint 139, item 1, resonance(s) 'B.8.H5' (nmrStar names),'B.7.H2'' (nmrStar names) not linked" rr_1eka 1
47 2 140 1 "Not handling restraint 140, item 1, resonance(s) 'B.1.H8' (nmrStar names),'B.1.H5'1' (nmrStar names) not linked" rr_1eka 1
48 2 141 1 "Not handling restraint 141, item 1, resonance(s) 'B.2.H8' (nmrStar names),'B.1.H2'' (nmrStar names) not linked" rr_1eka 1
49 2 142 1 "Not handling restraint 142, item 1, resonance(s) 'B.2.H8' (nmrStar names),'B.1.H3'' (nmrStar names) not linked" rr_1eka 1
50 2 143 1 "Not handling restraint 143, item 1, resonance(s) 'B.3.H8' (nmrStar names),'B.3.H2'' (nmrStar names) not linked" rr_1eka 1
51 2 144 1 "Not handling restraint 144, item 1, resonance(s) 'B.3.H8' (nmrStar names),'B.3.H3'' (nmrStar names) not linked" rr_1eka 1
52 2 145 1 "Not handling restraint 145, item 1, resonance(s) 'B.3.H8' (nmrStar names),'B.3.H5'1' (nmrStar names) not linked" rr_1eka 1
53 2 146 1 "Not handling restraint 146, item 1, resonance(s) 'B.4.H6' (nmrStar names),'B.3.H2'' (nmrStar names) not linked" rr_1eka 1
54 2 147 1 "Not handling restraint 147, item 1, resonance(s) 'B.4.H6' (nmrStar names),'B.4.H2'' (nmrStar names) not linked" rr_1eka 1
55 2 148 1 "Not handling restraint 148, item 1, resonance(s) 'B.4.H6' (nmrStar names),'B.3.H3'' (nmrStar names) not linked" rr_1eka 1
56 2 149 1 "Not handling restraint 149, item 1, resonance(s) 'B.4.H6' (nmrStar names),'B.4.H3'' (nmrStar names) not linked" rr_1eka 1
57 2 150 1 "Not handling restraint 150, item 1, resonance(s) 'B.4.H6' (nmrStar names),'B.4.H5'1' (nmrStar names) not linked" rr_1eka 1
58 2 151 1 "Not handling restraint 151, item 1, resonance(s) 'B.5.H8' (nmrStar names),'B.4.H2'' (nmrStar names) not linked" rr_1eka 1
59 2 152 1 "Not handling restraint 152, item 1, resonance(s) 'B.8.H6' (nmrStar names),'B.7.H3'' (nmrStar names) not linked" rr_1eka 1
60 2 153 1 "Not handling restraint 153, item 1, resonance(s) 'B.5.H8' (nmrStar names),'B.5.H3'' (nmrStar names) not linked" rr_1eka 1
61 2 154 1 "Not handling restraint 154, item 1, resonance(s) 'B.6.H6' (nmrStar names),'B.5.H3'' (nmrStar names) not linked" rr_1eka 1
62 2 155 1 "Not handling restraint 155, item 1, resonance(s) 'B.7.H6' (nmrStar names),'B.6.H2'' (nmrStar names) not linked" rr_1eka 1
63 2 156 1 "Not handling restraint 156, item 1, resonance(s) 'B.7.H6' (nmrStar names),'B.7.H4'' (nmrStar names) not linked" rr_1eka 1
64 2 157 1 "Not handling restraint 157, item 1, resonance(s) 'B.7.H6' (nmrStar names),'B.7.H2'' (nmrStar names) not linked" rr_1eka 1
65 2 158 1 "Not handling restraint 158, item 1, resonance(s) 'B.7.H6' (nmrStar names),'B.6.H3'' (nmrStar names) not linked" rr_1eka 1
66 2 159 1 "Not handling restraint 159, item 1, resonance(s) 'B.7.H6' (nmrStar names),'B.7.H5'1' (nmrStar names) not linked" rr_1eka 1
67 2 160 1 "Not handling restraint 160, item 1, resonance(s) 'B.2.H8' (nmrStar names),'B.2.H5'1' (nmrStar names) not linked" rr_1eka 1
68 2 161 1 "Not handling restraint 161, item 1, resonance(s) 'B.8.H6' (nmrStar names),'B.7.H2'' (nmrStar names) not linked" rr_1eka 1
69 2 162 1 "Not handling restraint 162, item 1, resonance(s) 'B.8.H6' (nmrStar names),'B.8.H3'' (nmrStar names) not linked" rr_1eka 1
70 2 163 1 "Not handling restraint 163, item 1, resonance(s) 'B.8.H6' (nmrStar names),'B.8.H2'' (nmrStar names) not linked" rr_1eka 1
71 2 164 1 "Not handling restraint 164, item 1, resonance(s) 'B.8.H6' (nmrStar names),'B.8.H4'' (nmrStar names) not linked" rr_1eka 1
72 2 165 1 "Not handling restraint 165, item 1, resonance(s) 'B.6.H6' (nmrStar names),'B.5.H2'' (nmrStar names) not linked" rr_1eka 1
73 2 166 1 "Not handling restraint 166, item 1, resonance(s) 'B.5.H1'' (nmrStar names),'B.5.H2'' (nmrStar names) not linked" rr_1eka 1
74 2 167 1 "Not handling restraint 167, item 1, resonance(s) 'B.3.H8' (nmrStar names),'B.4.H6' (nmrStar names) not linked" rr_1eka 1
75 2 168 1 "Not handling restraint 168, item 1, resonance(s) 'B.2.H8' (nmrStar names),'B.3.H8' (nmrStar names) not linked" rr_1eka 1
76 2 169 1 "Not handling restraint 169, item 1, resonance(s) 'B.2.H1'' (nmrStar names),'B.1.H2'' (nmrStar names) not linked" rr_1eka 1
77 2 170 1 "Not handling restraint 170, item 1, resonance(s) 'B.1.H1'' (nmrStar names),'B.1.H3'' (nmrStar names) not linked" rr_1eka 1
78 2 171 1 "Not handling restraint 171, item 1, resonance(s) 'B.4.H5' (nmrStar names),'B.3.H3'' (nmrStar names) not linked" rr_1eka 1
79 2 172 1 "Not handling restraint 172, item 1, resonance(s) 'B.4.H5' (nmrStar names),'B.4.H2'' (nmrStar names) not linked" rr_1eka 1
80 2 173 1 "Not handling restraint 173, item 1, resonance(s) 'B.4.H1'' (nmrStar names),'B.4.H2'' (nmrStar names) not linked" rr_1eka 1
81 2 174 1 "Not handling restraint 174, item 1, resonance(s) 'B.7.H1'' (nmrStar names),'B.7.H4'' (nmrStar names) not linked" rr_1eka 1
82 2 175 1 "Not handling restraint 175, item 1, resonance(s) 'B.4.H1'' (nmrStar names),'B.4.H3'' (nmrStar names) not linked" rr_1eka 1
83 2 176 1 "Not handling restraint 176, item 1, resonance(s) 'B.4.H5' (nmrStar names),'B.4.H3'' (nmrStar names) not linked" rr_1eka 1
84 2 177 1 "Not handling restraint 177, item 1, resonance(s) 'B.7.H1'' (nmrStar names),'B.7.H3'' (nmrStar names) not linked" rr_1eka 1
85 2 178 1 "Not handling restraint 178, item 1, resonance(s) 'B.7.H5' (nmrStar names),'B.7.H3'' (nmrStar names) not linked" rr_1eka 1
86 2 179 1 "Not handling restraint 179, item 1, resonance(s) 'B.1.H8' (nmrStar names),'B.1.H3'' (nmrStar names) not linked" rr_1eka 1
87 2 180 1 "Not handling restraint 180, item 1, resonance(s) 'B.2.H8' (nmrStar names),'B.2.H2'' (nmrStar names) not linked" rr_1eka 1
88 2 181 1 "Not handling restraint 181, item 1, resonance(s) 'B.2.H8' (nmrStar names),'B.2.H3'' (nmrStar names) not linked" rr_1eka 1
89 2 182 1 "Not handling restraint 182, item 1, resonance(s) 'B.3.H8' (nmrStar names),'B.2.H2'' (nmrStar names) not linked" rr_1eka 1
90 2 183 1 "Not handling restraint 183, item 1, resonance(s) 'B.3.H8' (nmrStar names),'B.2.H3'' (nmrStar names) not linked" rr_1eka 1
91 2 184 1 "Not handling restraint 184, item 1, resonance(s) 'B.6.H6' (nmrStar names),'B.6.H3'' (nmrStar names) not linked" rr_1eka 1
92 2 185 1 "Not handling restraint 185, item 1, resonance(s) 'B.6.H6' (nmrStar names),'B.6.H2'' (nmrStar names) not linked" rr_1eka 1
93 2 186 1 "Not handling restraint 186, item 1, resonance(s) 'B.7.H6' (nmrStar names),'B.7.H3'' (nmrStar names) not linked" rr_1eka 1
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_1eka
_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_1eka 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 "big atom restraints" 1 1 2 1 rr_1eka 2
2 "A_U Watson_Crisk" 16 1 18 1 rr_1eka 2
3
;!!!!!!!!!!!!!!
*********
G_U Mismatch
;
24 1 28 1 rr_1eka 2
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 1 1 "Not handling restraint 1, item 1, resonance(s) 'B.8.N4' (nmrStar names) not linked" rr_1eka 2
2 3 2 1 "Not handling restraint 2, item 1, resonance(s) 'B.8.N3' (nmrStar names) not linked" rr_1eka 2
3 3 3 1 "Not handling restraint 3, item 1, resonance(s) 'B.8.O2' (nmrStar names) not linked" rr_1eka 2
4 3 4 1 "Not handling restraint 4, item 1, resonance(s) 'B.6.N4' (nmrStar names) not linked" rr_1eka 2
5 3 5 1 "Not handling restraint 5, item 1, resonance(s) 'B.6.N3' (nmrStar names) not linked" rr_1eka 2
6 3 6 1 "Not handling restraint 6, item 1, resonance(s) 'B.6.O2' (nmrStar names) not linked" rr_1eka 2
7 3 7 1 "Not handling restraint 7, item 1, resonance(s) 'B.1.O6' (nmrStar names) not linked" rr_1eka 2
8 3 8 1 "Not handling restraint 8, item 1, resonance(s) 'B.1.N1' (nmrStar names) not linked" rr_1eka 2
9 3 9 1 "Not handling restraint 9, item 1, resonance(s) 'B.1.N2' (nmrStar names) not linked" rr_1eka 2
10 3 10 1 "Not handling restraint 10, item 1, resonance(s) 'B.3.O6' (nmrStar names) not linked" rr_1eka 2
11 3 11 1 "Not handling restraint 11, item 1, resonance(s) 'B.3.N1' (nmrStar names) not linked" rr_1eka 2
12 3 12 1 "Not handling restraint 12, item 1, resonance(s) 'B.3.N2' (nmrStar names) not linked" rr_1eka 2
13 3 13 1 "Not handling restraint 13, item 1, resonance(s) 'B.7.O4' (nmrStar names) not linked" rr_1eka 2
14 3 14 1 "Not handling restraint 14, item 1, resonance(s) 'B.7.N3' (nmrStar names) not linked" rr_1eka 2
15 3 15 1 "Not handling restraint 15, item 1, resonance(s) 'B.2.N6' (nmrStar names) not linked" rr_1eka 2
16 3 16 1 "Not handling restraint 16, item 1, resonance(s) 'B.2.N1' (nmrStar names) not linked" rr_1eka 2
17 3 17 1 "Not handling restraint 17, item 1, resonance(s) 'B.4.N3' (nmrStar names) not linked" rr_1eka 2
18 3 18 1 "Not handling restraint 18, item 1, resonance(s) 'B.4.O2' (nmrStar names) not linked" rr_1eka 2
19 3 19 1 "Not handling restraint 19, item 1, resonance(s) 'B.5.O6' (nmrStar names) not linked" rr_1eka 2
20 3 20 1 "Not handling restraint 20, item 1, resonance(s) 'B.5.N1' (nmrStar names) not linked" rr_1eka 2
stop_
save_
save_Discover_dihedral_4
_Torsion_angle_constraint_list.Sf_category torsion_angle_constraints
_Torsion_angle_constraint_list.Sf_framecode Discover_dihedral_4
_Torsion_angle_constraint_list.Entry_ID rr_1eka
_Torsion_angle_constraint_list.ID 1
_Torsion_angle_constraint_list.Details "Generated by Wattos"
_Torsion_angle_constraint_list.Constraint_file_ID 1
_Torsion_angle_constraint_list.Block_ID 4
loop_
_Torsion_angle_constraint_software.Software_ID
_Torsion_angle_constraint_software.Software_label
_Torsion_angle_constraint_software.Method_ID
_Torsion_angle_constraint_software.Method_label
_Torsion_angle_constraint_software.Entry_ID
_Torsion_angle_constraint_software.Torsion_angle_constraint_list_ID
. . . . rr_1eka 1
stop_
loop_
_Torsion_angle_constraint.ID
_Torsion_angle_constraint.Torsion_angle_name
_Torsion_angle_constraint.Assembly_atom_ID_1
_Torsion_angle_constraint.Entity_assembly_ID_1
_Torsion_angle_constraint.Entity_ID_1
_Torsion_angle_constraint.Comp_index_ID_1
_Torsion_angle_constraint.Seq_ID_1
_Torsion_angle_constraint.Comp_ID_1
_Torsion_angle_constraint.Atom_ID_1
_Torsion_angle_constraint.Atom_type_1
_Torsion_angle_constraint.Resonance_ID_1
_Torsion_angle_constraint.Assembly_atom_ID_2
_Torsion_angle_constraint.Entity_assembly_ID_2
_Torsion_angle_constraint.Entity_ID_2
_Torsion_angle_constraint.Comp_index_ID_2
_Torsion_angle_constraint.Seq_ID_2
_Torsion_angle_constraint.Comp_ID_2
_Torsion_angle_constraint.Atom_ID_2
_Torsion_angle_constraint.Atom_type_2
_Torsion_angle_constraint.Resonance_ID_2
_Torsion_angle_constraint.Assembly_atom_ID_3
_Torsion_angle_constraint.Entity_assembly_ID_3
_Torsion_angle_constraint.Entity_ID_3
_Torsion_angle_constraint.Comp_index_ID_3
_Torsion_angle_constraint.Seq_ID_3
_Torsion_angle_constraint.Comp_ID_3
_Torsion_angle_constraint.Atom_ID_3
_Torsion_angle_constraint.Atom_type_3
_Torsion_angle_constraint.Resonance_ID_3
_Torsion_angle_constraint.Assembly_atom_ID_4
_Torsion_angle_constraint.Entity_assembly_ID_4
_Torsion_angle_constraint.Entity_ID_4
_Torsion_angle_constraint.Comp_index_ID_4
_Torsion_angle_constraint.Seq_ID_4
_Torsion_angle_constraint.Comp_ID_4
_Torsion_angle_constraint.Atom_ID_4
_Torsion_angle_constraint.Atom_type_4
_Torsion_angle_constraint.Resonance_ID_4
_Torsion_angle_constraint.Angle_lower_bound_val
_Torsion_angle_constraint.Angle_upper_bound_val
_Torsion_angle_constraint.Source_experiment_ID
_Torsion_angle_constraint.PDB_record_ID_1
_Torsion_angle_constraint.PDB_model_num_1
_Torsion_angle_constraint.PDB_strand_ID_1
_Torsion_angle_constraint.PDB_ins_code_1
_Torsion_angle_constraint.PDB_residue_no_1
_Torsion_angle_constraint.PDB_residue_name_1
_Torsion_angle_constraint.PDB_atom_name_1
_Torsion_angle_constraint.PDB_record_ID_2
_Torsion_angle_constraint.PDB_model_num_2
_Torsion_angle_constraint.PDB_strand_ID_2
_Torsion_angle_constraint.PDB_ins_code_2
_Torsion_angle_constraint.PDB_residue_no_2
_Torsion_angle_constraint.PDB_residue_name_2
_Torsion_angle_constraint.PDB_atom_name_2
_Torsion_angle_constraint.PDB_record_ID_3
_Torsion_angle_constraint.PDB_model_num_3
_Torsion_angle_constraint.PDB_strand_ID_3
_Torsion_angle_constraint.PDB_ins_code_3
_Torsion_angle_constraint.PDB_residue_no_3
_Torsion_angle_constraint.PDB_residue_name_3
_Torsion_angle_constraint.PDB_atom_name_3
_Torsion_angle_constraint.PDB_record_ID_4
_Torsion_angle_constraint.PDB_model_num_4
_Torsion_angle_constraint.PDB_strand_ID_4
_Torsion_angle_constraint.PDB_ins_code_4
_Torsion_angle_constraint.PDB_residue_no_4
_Torsion_angle_constraint.PDB_residue_name_4
_Torsion_angle_constraint.PDB_atom_name_4
_Torsion_angle_constraint.Auth_entity_assembly_ID_1
_Torsion_angle_constraint.Auth_asym_ID_1
_Torsion_angle_constraint.Auth_chain_ID_1
_Torsion_angle_constraint.Auth_seq_ID_1
_Torsion_angle_constraint.Auth_comp_ID_1
_Torsion_angle_constraint.Auth_atom_ID_1
_Torsion_angle_constraint.Auth_alt_ID_1
_Torsion_angle_constraint.Auth_atom_name_1
_Torsion_angle_constraint.Auth_entity_assembly_ID_2
_Torsion_angle_constraint.Auth_asym_ID_2
_Torsion_angle_constraint.Auth_chain_ID_2
_Torsion_angle_constraint.Auth_seq_ID_2
_Torsion_angle_constraint.Auth_comp_ID_2
_Torsion_angle_constraint.Auth_atom_ID_2
_Torsion_angle_constraint.Auth_alt_ID_2
_Torsion_angle_constraint.Auth_atom_name_2
_Torsion_angle_constraint.Auth_entity_assembly_ID_3
_Torsion_angle_constraint.Auth_asym_ID_3
_Torsion_angle_constraint.Auth_chain_ID_3
_Torsion_angle_constraint.Auth_seq_ID_3
_Torsion_angle_constraint.Auth_comp_ID_3
_Torsion_angle_constraint.Auth_atom_ID_3
_Torsion_angle_constraint.Auth_alt_ID_3
_Torsion_angle_constraint.Auth_atom_name_3
_Torsion_angle_constraint.Auth_entity_assembly_ID_4
_Torsion_angle_constraint.Auth_asym_ID_4
_Torsion_angle_constraint.Auth_chain_ID_4
_Torsion_angle_constraint.Auth_seq_ID_4
_Torsion_angle_constraint.Auth_comp_ID_4
_Torsion_angle_constraint.Auth_atom_ID_4
_Torsion_angle_constraint.Auth_alt_ID_4
_Torsion_angle_constraint.Auth_atom_name_4
_Torsion_angle_constraint.Entry_ID
_Torsion_angle_constraint.Torsion_angle_constraint_list_ID
1 . . 1 1 1 1 G O3' O . . 1 1 2 2 A P P . . 1 1 2 2 A O5' O . . 1 1 2 2 A C5' C . -150.0 150.0 . . . A . 1 G O3' . . A . 2 A P . . A . 2 A O5' . . A . 2 A C5' . 1 . 1 G5' O3' . . . 1 . 2 A P . . . 1 . 2 A O5' . . . 1 . 2 A C5' . . rr_1eka 1
2 . . 1 1 2 2 A O3' O . . 1 1 3 3 G P P . . 1 1 3 3 G O5' O . . 1 1 3 3 G C5' C . -150.0 150.0 . . . A . 2 A O3' . . A . 3 G P . . A . 3 G O5' . . A . 3 G C5' . 1 . 2 A O3' . . . 1 . 3 G P . . . 1 . 3 G O5' . . . 1 . 3 G C5' . . rr_1eka 1
3 . . 1 1 3 3 G O3' O . . 1 1 4 4 U P P . . 1 1 4 4 U O5' O . . 1 1 4 4 U C5' C . -150.0 150.0 . . . A . 3 G O3' . . A . 4 U P . . A . 4 U O5' . . A . 4 U C5' . 1 . 3 G O3' . . . 1 . 4 U P . . . 1 . 4 U O5' . . . 1 . 4 U C5' . . rr_1eka 1
4 . . 1 1 4 4 U O3' O . . 1 1 5 5 G P P . . 1 1 5 5 G O5' O . . 1 1 5 5 G C5' C . -150.0 150.0 . . . A . 4 U O3' . . A . 5 G P . . A . 5 G O5' . . A . 5 G C5' . 1 . 4 U O3' . . . 1 . 5 G P . . . 1 . 5 G O5' . . . 1 . 5 G C5' . . rr_1eka 1
5 . . 1 1 5 5 G O3' O . . 1 1 6 6 C P P . . 1 1 6 6 C O5' O . . 1 1 6 6 C C5' C . -150.0 150.0 . . . A . 5 G O3' . . A . 6 C P . . A . 6 C O5' . . A . 6 C C5' . 1 . 5 G O3' . . . 1 . 6 C P . . . 1 . 6 C O5' . . . 1 . 6 C C5' . . rr_1eka 1
6 . . 1 1 6 6 C O3' O . . 1 1 7 7 U P P . . 1 1 7 7 U O5' O . . 1 1 7 7 U C5' C . -150.0 150.0 . . . A . 6 C O3' . . A . 7 U P . . A . 7 U O5' . . A . 7 U C5' . 1 . 6 C O3' . . . 1 . 7 U P . . . 1 . 7 U O5' . . . 1 . 7 U C5' . . rr_1eka 1
7 . . 1 1 7 7 U O3' O . . 1 1 8 8 C P P . . 1 1 8 8 C O5' O . . 1 1 8 8 C C5' C . -150.0 150.0 . . . A . 7 U O3' . . A . 8 C P . . A . 8 C O5' . . A . 8 C C5' . 1 . 7 U O3' . . . 1 . 8 C3' P . . . 1 . 8 C3' O5' . . . 1 . 8 C3' C5' . . rr_1eka 1
8 . . 1 1 2 2 A P P . . 1 1 2 2 A O5' O . . 1 1 2 2 A C5' C . . 1 1 2 2 A C4' C . 150.0 210.0 . . . A . 2 A P . . A . 2 A O5' . . A . 2 A C5' . . A . 2 A C4' . 1 . 2 A P . . . 1 . 2 A O5' . . . 1 . 2 A C5' . . . 1 . 2 A C4' . . rr_1eka 1
9 . . 1 1 3 3 G P P . . 1 1 3 3 G O5' O . . 1 1 3 3 G C5' C . . 1 1 3 3 G C4' C . 150.0 210.0 . . . A . 3 G P . . A . 3 G O5' . . A . 3 G C5' . . A . 3 G C4' . 1 . 3 G P . . . 1 . 3 G O5' . . . 1 . 3 G C5' . . . 1 . 3 G C4' . . rr_1eka 1
10 . . 1 1 4 4 U P P . . 1 1 4 4 U O5' O . . 1 1 4 4 U C5' C . . 1 1 4 4 U C4' C . 150.0 210.0 . . . A . 4 U P . . A . 4 U O5' . . A . 4 U C5' . . A . 4 U C4' . 1 . 4 U P . . . 1 . 4 U O5' . . . 1 . 4 U C5' . . . 1 . 4 U C4' . . rr_1eka 1
11 . . 1 1 5 5 G P P . . 1 1 5 5 G O5' O . . 1 1 5 5 G C5' C . . 1 1 5 5 G C4' C . 150.0 210.0 . . . A . 5 G P . . A . 5 G O5' . . A . 5 G C5' . . A . 5 G C4' . 1 . 5 G P . . . 1 . 5 G O5' . . . 1 . 5 G C5' . . . 1 . 5 G C4' . . rr_1eka 1
12 . . 1 1 6 6 C P P . . 1 1 6 6 C O5' O . . 1 1 6 6 C C5' C . . 1 1 6 6 C C4' C . 150.0 210.0 . . . A . 6 C P . . A . 6 C O5' . . A . 6 C C5' . . A . 6 C C4' . 1 . 6 C P . . . 1 . 6 C O5' . . . 1 . 6 C C5' . . . 1 . 6 C C4' . . rr_1eka 1
13 . . 1 1 7 7 U P P . . 1 1 7 7 U O5' O . . 1 1 7 7 U C5' C . . 1 1 7 7 U C4' C . 150.0 210.0 . . . A . 7 U P . . A . 7 U O5' . . A . 7 U C5' . . A . 7 U C4' . 1 . 7 U P . . . 1 . 7 U O5' . . . 1 . 7 U C5' . . . 1 . 7 U C4' . . rr_1eka 1
14 . . 1 1 8 8 C P P . . 1 1 8 8 C O5' O . . 1 1 8 8 C C5' C . . 1 1 8 8 C C4' C . 150.0 210.0 . . . A . 8 C P . . A . 8 C O5' . . A . 8 C C5' . . A . 8 C C4' . 1 . 8 C3' P . . . 1 . 8 C3' O5' . . . 1 . 8 C3' C5' . . . 1 . 8 C3' C4' . . rr_1eka 1
15 . . 1 1 1 1 G O5' O . . 1 1 1 1 G C5' C . . 1 1 1 1 G C4' C . . 1 1 1 1 G C3' C . 30.0 90.0 . . . A . 1 G O5' . . A . 1 G C5' . . A . 1 G C4' . . A . 1 G C3' . 1 . 1 G5' O5' . . . 1 . 1 G5' C5' . . . 1 . 1 G5' C4' . . . 1 . 1 G5' C3' . . rr_1eka 1
16 . . 1 1 2 2 A O5' O . . 1 1 2 2 A C5' C . . 1 1 2 2 A C4' C . . 1 1 2 2 A C3' C . 30.0 90.0 . . . A . 2 A O5' . . A . 2 A C5' . . A . 2 A C4' . . A . 2 A C3' . 1 . 2 A O5' . . . 1 . 2 A C5' . . . 1 . 2 A C4' . . . 1 . 2 A C3' . . rr_1eka 1
17 . . 1 1 3 3 G O5' O . . 1 1 3 3 G C5' C . . 1 1 3 3 G C4' C . . 1 1 3 3 G C3' C . 30.0 90.0 . . . A . 3 G O5' . . A . 3 G C5' . . A . 3 G C4' . . A . 3 G C3' . 1 . 3 G O5' . . . 1 . 3 G C5' . . . 1 . 3 G C4' . . . 1 . 3 G C3' . . rr_1eka 1
18 . . 1 1 5 5 G O5' O . . 1 1 5 5 G C5' C . . 1 1 5 5 G C4' C . . 1 1 5 5 G C3' C . 30.0 90.0 . . . A . 5 G O5' . . A . 5 G C5' . . A . 5 G C4' . . A . 5 G C3' . 1 . 5 G O5' . . . 1 . 5 G C5' . . . 1 . 5 G C4' . . . 1 . 5 G C3' . . rr_1eka 1
19 . . 1 1 6 6 C O5' O . . 1 1 6 6 C C5' C . . 1 1 6 6 C C4' C . . 1 1 6 6 C C3' C . 30.0 90.0 . . . A . 6 C O5' . . A . 6 C C5' . . A . 6 C C4' . . A . 6 C C3' . 1 . 6 C O5' . . . 1 . 6 C C5' . . . 1 . 6 C C4' . . . 1 . 6 C C3' . . rr_1eka 1
20 . . 1 1 7 7 U O5' O . . 1 1 7 7 U C5' C . . 1 1 7 7 U C4' C . . 1 1 7 7 U C3' C . 30.0 90.0 . . . A . 7 U O5' . . A . 7 U C5' . . A . 7 U C4' . . A . 7 U C3' . 1 . 7 U O5' . . . 1 . 7 U C5' . . . 1 . 7 U C4' . . . 1 . 7 U C3' . . rr_1eka 1
21 . . 1 1 1 1 G C5' C . . 1 1 1 1 G C4' C . . 1 1 1 1 G C3' C . . 1 1 1 1 G O3' O . 70.0 110.0 . . . A . 1 G C5' . . A . 1 G C4' . . A . 1 G C3' . . A . 1 G O3' . 1 . 1 G5' C5' . . . 1 . 1 G5' C4' . . . 1 . 1 G5' C3' . . . 1 . 1 G5' O3' . . rr_1eka 1
22 . . 1 1 2 2 A C5' C . . 1 1 2 2 A C4' C . . 1 1 2 2 A C3' C . . 1 1 2 2 A O3' O . 70.0 110.0 . . . A . 2 A C5' . . A . 2 A C4' . . A . 2 A C3' . . A . 2 A O3' . 1 . 2 A C5' . . . 1 . 2 A C4' . . . 1 . 2 A C3' . . . 1 . 2 A O3' . . rr_1eka 1
23 . . 1 1 3 3 G C5' C . . 1 1 3 3 G C4' C . . 1 1 3 3 G C3' C . . 1 1 3 3 G O3' O . 70.0 110.0 . . . A . 3 G C5' . . A . 3 G C4' . . A . 3 G C3' . . A . 3 G O3' . 1 . 3 G C5' . . . 1 . 3 G C4' . . . 1 . 3 G C3' . . . 1 . 3 G O3' . . rr_1eka 1
24 . . 1 1 4 4 U C5' C . . 1 1 4 4 U C4' C . . 1 1 4 4 U C3' C . . 1 1 4 4 U O3' O . 70.0 110.0 . . . A . 4 U C5' . . A . 4 U C4' . . A . 4 U C3' . . A . 4 U O3' . 1 . 4 U C5' . . . 1 . 4 U C4' . . . 1 . 4 U C3' . . . 1 . 4 U O3' . . rr_1eka 1
25 . . 1 1 5 5 G C5' C . . 1 1 5 5 G C4' C . . 1 1 5 5 G C3' C . . 1 1 5 5 G O3' O . 70.0 110.0 . . . A . 5 G C5' . . A . 5 G C4' . . A . 5 G C3' . . A . 5 G O3' . 1 . 5 G C5' . . . 1 . 5 G C4' . . . 1 . 5 G C3' . . . 1 . 5 G O3' . . rr_1eka 1
26 . . 1 1 6 6 C C5' C . . 1 1 6 6 C C4' C . . 1 1 6 6 C C3' C . . 1 1 6 6 C O3' O . 70.0 110.0 . . . A . 6 C C5' . . A . 6 C C4' . . A . 6 C C3' . . A . 6 C O3' . 1 . 6 C C5' . . . 1 . 6 C C4' . . . 1 . 6 C C3' . . . 1 . 6 C O3' . . rr_1eka 1
27 . . 1 1 7 7 U C5' C . . 1 1 7 7 U C4' C . . 1 1 7 7 U C3' C . . 1 1 7 7 U O3' O . 70.0 110.0 . . . A . 7 U C5' . . A . 7 U C4' . . A . 7 U C3' . . A . 7 U O3' . 1 . 7 U C5' . . . 1 . 7 U C4' . . . 1 . 7 U C3' . . . 1 . 7 U O3' . . rr_1eka 1
28 . . 1 1 8 8 C C5' C . . 1 1 8 8 C C4' C . . 1 1 8 8 C C3' C . . 1 1 8 8 C O3' O . 70.0 110.0 . . . A . 8 C C5' . . A . 8 C C4' . . A . 8 C C3' . . A . 8 C O3' . 1 . 8 C3' C5' . . . 1 . 8 C3' C4' . . . 1 . 8 C3' C3' . . . 1 . 8 C3' O3' . . rr_1eka 1
29 . . 1 1 1 1 G C4' C . . 1 1 1 1 G C3' C . . 1 1 1 1 G O3' O . . 1 1 2 2 A P P . -160.0 -100.0 . . . A . 1 G C4' . . A . 1 G C3' . . A . 1 G O3' . . A . 2 A P . 1 . 1 G5' C4' . . . 1 . 1 G5' C3' . . . 1 . 1 G5' O3' . . . 1 . 2 A P . . rr_1eka 1
30 . . 1 1 2 2 A C4' C . . 1 1 2 2 A C3' C . . 1 1 2 2 A O3' O . . 1 1 3 3 G P P . -160.0 -100.0 . . . A . 2 A C4' . . A . 2 A C3' . . A . 2 A O3' . . A . 3 G P . 1 . 2 A C4' . . . 1 . 2 A C3' . . . 1 . 2 A O3' . . . 1 . 3 G P . . rr_1eka 1
31 . . 1 1 3 3 G C4' C . . 1 1 3 3 G C3' C . . 1 1 3 3 G O3' O . . 1 1 4 4 U P P . -160.0 -100.0 . . . A . 3 G C4' . . A . 3 G C3' . . A . 3 G O3' . . A . 4 U P . 1 . 3 G C4' . . . 1 . 3 G C3' . . . 1 . 3 G O3' . . . 1 . 4 U P . . rr_1eka 1
32 . . 1 1 4 4 U C4' C . . 1 1 4 4 U C3' C . . 1 1 4 4 U O3' O . . 1 1 5 5 G P P . -160.0 -100.0 . . . A . 4 U C4' . . A . 4 U C3' . . A . 4 U O3' . . A . 5 G P . 1 . 4 U C4' . . . 1 . 4 U C3' . . . 1 . 4 U O3' . . . 1 . 5 G P . . rr_1eka 1
33 . . 1 1 5 5 G C4' C . . 1 1 5 5 G C3' C . . 1 1 5 5 G O3' O . . 1 1 6 6 C P P . -160.0 -100.0 . . . A . 5 G C4' . . A . 5 G C3' . . A . 5 G O3' . . A . 6 C P . 1 . 5 G C4' . . . 1 . 5 G C3' . . . 1 . 5 G O3' . . . 1 . 6 C P . . rr_1eka 1
34 . . 1 1 6 6 C C4' C . . 1 1 6 6 C C3' C . . 1 1 6 6 C O3' O . . 1 1 7 7 U P P . -160.0 -100.0 . . . A . 6 C C4' . . A . 6 C C3' . . A . 6 C O3' . . A . 7 U P . 1 . 6 C C4' . . . 1 . 6 C C3' . . . 1 . 6 C O3' . . . 1 . 7 U P . . rr_1eka 1
35 . . 1 1 7 7 U C4' C . . 1 1 7 7 U C3' C . . 1 1 7 7 U O3' O . . 1 1 8 8 C P P . -160.0 -100.0 . . . A . 7 U C4' . . A . 7 U C3' . . A . 7 U O3' . . A . 8 C P . 1 . 7 U C4' . . . 1 . 7 U C3' . . . 1 . 7 U O3' . . . 1 . 8 C3' P . . rr_1eka 1
36 . . 1 1 1 1 G C3' C . . 1 1 1 1 G O3' O . . 1 1 2 2 A P P . . 1 1 2 2 A O5' O . -150.0 150.0 . . . A . 1 G C3' . . A . 1 G O3' . . A . 2 A P . . A . 2 A O5' . 1 . 1 G5' C3' . . . 1 . 1 G5' O3' . . . 1 . 2 A P . . . 1 . 2 A O5' . . rr_1eka 1
37 . . 1 1 2 2 A C3' C . . 1 1 2 2 A O3' O . . 1 1 3 3 G P P . . 1 1 3 3 G O5' O . -150.0 150.0 . . . A . 2 A C3' . . A . 2 A O3' . . A . 3 G P . . A . 3 G O5' . 1 . 2 A C3' . . . 1 . 2 A O3' . . . 1 . 3 G P . . . 1 . 3 G O5' . . rr_1eka 1
38 . . 1 1 3 3 G C3' C . . 1 1 3 3 G O3' O . . 1 1 4 4 U P P . . 1 1 4 4 U O5' O . -150.0 150.0 . . . A . 3 G C3' . . A . 3 G O3' . . A . 4 U P . . A . 4 U O5' . 1 . 3 G C3' . . . 1 . 3 G O3' . . . 1 . 4 U P . . . 1 . 4 U O5' . . rr_1eka 1
39 . . 1 1 4 4 U C3' C . . 1 1 4 4 U O3' O . . 1 1 5 5 G P P . . 1 1 5 5 G O5' O . -150.0 150.0 . . . A . 4 U C3' . . A . 4 U O3' . . A . 5 G P . . A . 5 G O5' . 1 . 4 U C3' . . . 1 . 4 U O3' . . . 1 . 5 G P . . . 1 . 5 G O5' . . rr_1eka 1
40 . . 1 1 5 5 G C3' C . . 1 1 5 5 G O3' O . . 1 1 6 6 C P P . . 1 1 6 6 C O5' O . -150.0 150.0 . . . A . 5 G C3' . . A . 5 G O3' . . A . 6 C P . . A . 6 C O5' . 1 . 5 G C3' . . . 1 . 5 G O3' . . . 1 . 6 C P . . . 1 . 6 C O5' . . rr_1eka 1
41 . . 1 1 6 6 C C3' C . . 1 1 6 6 C O3' O . . 1 1 7 7 U P P . . 1 1 7 7 U O5' O . -150.0 150.0 . . . A . 6 C C3' . . A . 6 C O3' . . A . 7 U P . . A . 7 U O5' . 1 . 6 C C3' . . . 1 . 6 C O3' . . . 1 . 7 U P . . . 1 . 7 U O5' . . rr_1eka 1
42 . . 1 1 7 7 U C3' C . . 1 1 7 7 U O3' O . . 1 1 8 8 C P P . . 1 1 8 8 C O5' O . -150.0 150.0 . . . A . 7 U C3' . . A . 7 U O3' . . A . 8 C P . . A . 8 C O5' . 1 . 7 U C3' . . . 1 . 7 U O3' . . . 1 . 8 C3' P . . . 1 . 8 C3' O5' . . rr_1eka 1
43 . . 1 1 1 1 G O4' O . . 1 1 1 1 G C1' C . . 1 1 1 1 G N9 N . . 1 1 1 1 G C4 C . 150.0 210.0 . . . A . 1 G O4' . . A . 1 G C1' . . A . 1 G N9 . . A . 1 G C4 . 1 . 1 G5' O4' . . . 1 . 1 G5' C1' . . . 1 . 1 G5' N9 . . . 1 . 1 G5' C4 . . rr_1eka 1
44 . . 1 1 2 2 A O4' O . . 1 1 2 2 A C1' C . . 1 1 2 2 A N9 N . . 1 1 2 2 A C4 C . 150.0 210.0 . . . A . 2 A O4' . . A . 2 A C1' . . A . 2 A N9 . . A . 2 A C4 . 1 . 2 A O4' . . . 1 . 2 A C1' . . . 1 . 2 A N9 . . . 1 . 2 A C4 . . rr_1eka 1
45 . . 1 1 3 3 G O4' O . . 1 1 3 3 G C1' C . . 1 1 3 3 G N9 N . . 1 1 3 3 G C4 C . 150.0 210.0 . . . A . 3 G O4' . . A . 3 G C1' . . A . 3 G N9 . . A . 3 G C4 . 1 . 3 G O4' . . . 1 . 3 G C1' . . . 1 . 3 G N9 . . . 1 . 3 G C4 . . rr_1eka 1
46 . . 1 1 4 4 U O4' O . . 1 1 4 4 U C1' C . . 1 1 4 4 U N1 N . . 1 1 4 4 U C2 C . 150.0 210.0 . . . A . 4 U O4' . . A . 4 U C1' . . A . 4 U N1 . . A . 4 U C2 . 1 . 4 U O4' . . . 1 . 4 U C1' . . . 1 . 4 U N1 . . . 1 . 4 U C2 . . rr_1eka 1
47 . . 1 1 5 5 G O4' O . . 1 1 5 5 G C1' C . . 1 1 5 5 G N9 N . . 1 1 5 5 G C4 C . 150.0 210.0 . . . A . 5 G O4' . . A . 5 G C1' . . A . 5 G N9 . . A . 5 G C4 . 1 . 5 G O4' . . . 1 . 5 G C1' . . . 1 . 5 G N9 . . . 1 . 5 G C4 . . rr_1eka 1
48 . . 1 1 6 6 C O4' O . . 1 1 6 6 C C1' C . . 1 1 6 6 C N1 N . . 1 1 6 6 C C2 C . 150.0 210.0 . . . A . 6 C O4' . . A . 6 C C1' . . A . 6 C N1 . . A . 6 C C2 . 1 . 6 C O4' . . . 1 . 6 C C1' . . . 1 . 6 C N1 . . . 1 . 6 C C2 . . rr_1eka 1
49 . . 1 1 7 7 U O4' O . . 1 1 7 7 U C1' C . . 1 1 7 7 U N1 N . . 1 1 7 7 U C2 C . 150.0 210.0 . . . A . 7 U O4' . . A . 7 U C1' . . A . 7 U N1 . . A . 7 U C2 . 1 . 7 U O4' . . . 1 . 7 U C1' . . . 1 . 7 U N1 . . . 1 . 7 U C2 . . rr_1eka 1
50 . . 1 1 8 8 C O4' O . . 1 1 8 8 C C1' C . . 1 1 8 8 C N1 N . . 1 1 8 8 C C2 C . 150.0 210.0 . . . A . 8 C O4' . . A . 8 C C1' . . A . 8 C N1 . . A . 8 C C2 . 1 . 8 C3' O4' . . . 1 . 8 C3' C1' . . . 1 . 8 C3' N1 . . . 1 . 8 C3' C2 . . rr_1eka 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
alpha
;
1 1 2 6 rr_1eka 1
2 Belta 10 1 10 6 rr_1eka 1
3 Gamma 18 1 18 6 rr_1eka 1
4 "1:U_4:O5' 1:U_4:C5' 1:U_4:C4' 1:U_4:C3' 30 90 25 25 1000" 22 1 22 73 rr_1eka 1
5
;1:C3'_8:O5' 1:C3'_8:C5' 1:C3'_8:C4' 1:C3'_8:C3' 30 90 25 25 1000
Delta
;
26 1 27 6 rr_1eka 1
6 Episilon 36 1 36 9 rr_1eka 1
7 kesi 44 1 44 5 rr_1eka 1
8 Chi 52 1 52 4 rr_1eka 1
9 "second copy begins here alpha" 61 1 64 6 rr_1eka 1
10 Belta 72 1 72 6 rr_1eka 1
11 Gamma 80 1 80 6 rr_1eka 1
12 "1:U_4B:O5' 1:U_4B:C5' 1:U_4B:C4' 1:U_4B:C3' 30 90 25 25 1000" 84 1 84 77 rr_1eka 1
13
;1:C3'_8B:O5' 1:C3'_8B:C5' 1:C3'_8B:C4' 1:C3'_8B:C3' 30 90 25 25 1000
Delta
;
88 1 89 6 rr_1eka 1
14 Episilon 98 1 98 9 rr_1eka 1
15 kesi 106 1 106 5 rr_1eka 1
16 Chi 114 1 114 4 rr_1eka 1
stop_
loop_
_TA_constraint_conv_err.ID
_TA_constraint_conv_err.Parse_file_ID
_TA_constraint_conv_err.Parse_file_constraint_ID
_TA_constraint_conv_err.Conv_error_type
_TA_constraint_conv_err.Conv_error_note
_TA_constraint_conv_err.Entry_ID
_TA_constraint_conv_err.Torsion_angle_constraint_list_ID
1 4 51 1 "Not handling restraint 51, resonance(s) 'B.1.O3'' (nmrStar names),'B.2.P' (nmrStar names),'B.2.O5'' (nmrStar names),'B.2.C5'' (nmrStar names) not linked" rr_1eka 1
2 4 52 1 "Not handling restraint 52, resonance(s) 'B.2.O3'' (nmrStar names),'B.3.P' (nmrStar names),'B.3.O5'' (nmrStar names),'B.3.C5'' (nmrStar names) not linked" rr_1eka 1
3 4 53 1 "Not handling restraint 53, resonance(s) 'B.3.O3'' (nmrStar names),'B.4.P' (nmrStar names),'B.4.O5'' (nmrStar names),'B.4.C5'' (nmrStar names) not linked" rr_1eka 1
4 4 54 1 "Not handling restraint 54, resonance(s) 'B.4.O3'' (nmrStar names),'B.5.P' (nmrStar names),'B.5.O5'' (nmrStar names),'B.5.C5'' (nmrStar names) not linked" rr_1eka 1
5 4 55 1 "Not handling restraint 55, resonance(s) 'B.5.O3'' (nmrStar names),'B.6.P' (nmrStar names),'B.6.O5'' (nmrStar names),'B.6.C5'' (nmrStar names) not linked" rr_1eka 1
6 4 56 1 "Not handling restraint 56, resonance(s) 'B.6.O3'' (nmrStar names),'B.7.P' (nmrStar names),'B.7.O5'' (nmrStar names),'B.7.C5'' (nmrStar names) not linked" rr_1eka 1
7 4 57 1 "Not handling restraint 57, resonance(s) 'B.7.O3'' (nmrStar names),'B.8.P' (nmrStar names),'B.8.O5'' (nmrStar names),'B.8.C5'' (nmrStar names) not linked" rr_1eka 1
8 4 58 1 "Not handling restraint 58, resonance(s) 'B.2.P' (nmrStar names),'B.2.O5'' (nmrStar names),'B.2.C5'' (nmrStar names),'B.2.C4'' (nmrStar names) not linked" rr_1eka 1
9 4 59 1 "Not handling restraint 59, resonance(s) 'B.3.P' (nmrStar names),'B.3.O5'' (nmrStar names),'B.3.C5'' (nmrStar names),'B.3.C4'' (nmrStar names) not linked" rr_1eka 1
10 4 60 1 "Not handling restraint 60, resonance(s) 'B.4.P' (nmrStar names),'B.4.O5'' (nmrStar names),'B.4.C5'' (nmrStar names),'B.4.C4'' (nmrStar names) not linked" rr_1eka 1
11 4 61 1 "Not handling restraint 61, resonance(s) 'B.5.P' (nmrStar names),'B.5.O5'' (nmrStar names),'B.5.C5'' (nmrStar names),'B.5.C4'' (nmrStar names) not linked" rr_1eka 1
12 4 62 1 "Not handling restraint 62, resonance(s) 'B.6.P' (nmrStar names),'B.6.O5'' (nmrStar names),'B.6.C5'' (nmrStar names),'B.6.C4'' (nmrStar names) not linked" rr_1eka 1
13 4 63 1 "Not handling restraint 63, resonance(s) 'B.7.P' (nmrStar names),'B.7.O5'' (nmrStar names),'B.7.C5'' (nmrStar names),'B.7.C4'' (nmrStar names) not linked" rr_1eka 1
14 4 64 1 "Not handling restraint 64, resonance(s) 'B.8.P' (nmrStar names),'B.8.O5'' (nmrStar names),'B.8.C5'' (nmrStar names),'B.8.C4'' (nmrStar names) not linked" rr_1eka 1
15 4 65 1 "Not handling restraint 65, resonance(s) 'B.1.O5'' (nmrStar names),'B.1.C5'' (nmrStar names),'B.1.C4'' (nmrStar names),'B.1.C3'' (nmrStar names) not linked" rr_1eka 1
16 4 66 1 "Not handling restraint 66, resonance(s) 'B.2.O5'' (nmrStar names),'B.2.C5'' (nmrStar names),'B.2.C4'' (nmrStar names),'B.2.C3'' (nmrStar names) not linked" rr_1eka 1
17 4 67 1 "Not handling restraint 67, resonance(s) 'B.3.O5'' (nmrStar names),'B.3.C5'' (nmrStar names),'B.3.C4'' (nmrStar names),'B.3.C3'' (nmrStar names) not linked" rr_1eka 1
18 4 68 1 "Not handling restraint 68, resonance(s) 'B.5.O5'' (nmrStar names),'B.5.C5'' (nmrStar names),'B.5.C4'' (nmrStar names),'B.5.C3'' (nmrStar names) not linked" rr_1eka 1
19 4 69 1 "Not handling restraint 69, resonance(s) 'B.6.O5'' (nmrStar names),'B.6.C5'' (nmrStar names),'B.6.C4'' (nmrStar names),'B.6.C3'' (nmrStar names) not linked" rr_1eka 1
20 4 70 1 "Not handling restraint 70, resonance(s) 'B.7.O5'' (nmrStar names),'B.7.C5'' (nmrStar names),'B.7.C4'' (nmrStar names),'B.7.C3'' (nmrStar names) not linked" rr_1eka 1
21 4 71 1 "Not handling restraint 71, resonance(s) 'B.1.C5'' (nmrStar names),'B.1.C4'' (nmrStar names),'B.1.C3'' (nmrStar names),'B.1.O3'' (nmrStar names) not linked" rr_1eka 1
22 4 72 1 "Not handling restraint 72, resonance(s) 'B.2.C5'' (nmrStar names),'B.2.C4'' (nmrStar names),'B.2.C3'' (nmrStar names),'B.2.O3'' (nmrStar names) not linked" rr_1eka 1
23 4 73 1 "Not handling restraint 73, resonance(s) 'B.3.C5'' (nmrStar names),'B.3.C4'' (nmrStar names),'B.3.C3'' (nmrStar names),'B.3.O3'' (nmrStar names) not linked" rr_1eka 1
24 4 74 1 "Not handling restraint 74, resonance(s) 'B.4.C5'' (nmrStar names),'B.4.C4'' (nmrStar names),'B.4.C3'' (nmrStar names),'B.4.O3'' (nmrStar names) not linked" rr_1eka 1
25 4 75 1 "Not handling restraint 75, resonance(s) 'B.5.C5'' (nmrStar names),'B.5.C4'' (nmrStar names),'B.5.C3'' (nmrStar names),'B.5.O3'' (nmrStar names) not linked" rr_1eka 1
26 4 76 1 "Not handling restraint 76, resonance(s) 'B.6.C5'' (nmrStar names),'B.6.C4'' (nmrStar names),'B.6.C3'' (nmrStar names),'B.6.O3'' (nmrStar names) not linked" rr_1eka 1
27 4 77 1 "Not handling restraint 77, resonance(s) 'B.7.C5'' (nmrStar names),'B.7.C4'' (nmrStar names),'B.7.C3'' (nmrStar names),'B.7.O3'' (nmrStar names) not linked" rr_1eka 1
28 4 78 1 "Not handling restraint 78, resonance(s) 'B.8.C5'' (nmrStar names),'B.8.C4'' (nmrStar names),'B.8.C3'' (nmrStar names),'B.8.O3'' (nmrStar names) not linked" rr_1eka 1
29 4 79 1 "Not handling restraint 79, resonance(s) 'B.1.C4'' (nmrStar names),'B.1.C3'' (nmrStar names),'B.1.O3'' (nmrStar names),'B.2.P' (nmrStar names) not linked" rr_1eka 1
30 4 80 1 "Not handling restraint 80, resonance(s) 'B.2.C4'' (nmrStar names),'B.2.C3'' (nmrStar names),'B.2.O3'' (nmrStar names),'B.3.P' (nmrStar names) not linked" rr_1eka 1
31 4 81 1 "Not handling restraint 81, resonance(s) 'B.3.C4'' (nmrStar names),'B.3.C3'' (nmrStar names),'B.3.O3'' (nmrStar names),'B.4.P' (nmrStar names) not linked" rr_1eka 1
32 4 82 1 "Not handling restraint 82, resonance(s) 'B.4.C4'' (nmrStar names),'B.4.C3'' (nmrStar names),'B.4.O3'' (nmrStar names),'B.5.P' (nmrStar names) not linked" rr_1eka 1
33 4 83 1 "Not handling restraint 83, resonance(s) 'B.5.C4'' (nmrStar names),'B.5.C3'' (nmrStar names),'B.5.O3'' (nmrStar names),'B.6.P' (nmrStar names) not linked" rr_1eka 1
34 4 84 1 "Not handling restraint 84, resonance(s) 'B.6.C4'' (nmrStar names),'B.6.C3'' (nmrStar names),'B.6.O3'' (nmrStar names),'B.7.P' (nmrStar names) not linked" rr_1eka 1
35 4 85 1 "Not handling restraint 85, resonance(s) 'B.7.C4'' (nmrStar names),'B.7.C3'' (nmrStar names),'B.7.O3'' (nmrStar names),'B.8.P' (nmrStar names) not linked" rr_1eka 1
36 4 86 1 "Not handling restraint 86, resonance(s) 'B.1.C3'' (nmrStar names),'B.1.O3'' (nmrStar names),'B.2.P' (nmrStar names),'B.2.O5'' (nmrStar names) not linked" rr_1eka 1
37 4 87 1 "Not handling restraint 87, resonance(s) 'B.2.C3'' (nmrStar names),'B.2.O3'' (nmrStar names),'B.3.P' (nmrStar names),'B.3.O5'' (nmrStar names) not linked" rr_1eka 1
38 4 88 1 "Not handling restraint 88, resonance(s) 'B.3.C3'' (nmrStar names),'B.3.O3'' (nmrStar names),'B.4.P' (nmrStar names),'B.4.O5'' (nmrStar names) not linked" rr_1eka 1
39 4 89 1 "Not handling restraint 89, resonance(s) 'B.4.C3'' (nmrStar names),'B.4.O3'' (nmrStar names),'B.5.P' (nmrStar names),'B.5.O5'' (nmrStar names) not linked" rr_1eka 1
40 4 90 1 "Not handling restraint 90, resonance(s) 'B.5.C3'' (nmrStar names),'B.5.O3'' (nmrStar names),'B.6.P' (nmrStar names),'B.6.O5'' (nmrStar names) not linked" rr_1eka 1
41 4 91 1 "Not handling restraint 91, resonance(s) 'B.6.C3'' (nmrStar names),'B.6.O3'' (nmrStar names),'B.7.P' (nmrStar names),'B.7.O5'' (nmrStar names) not linked" rr_1eka 1
42 4 92 1 "Not handling restraint 92, resonance(s) 'B.7.C3'' (nmrStar names),'B.7.O3'' (nmrStar names),'B.8.P' (nmrStar names),'B.8.O5'' (nmrStar names) not linked" rr_1eka 1
43 4 93 1 "Not handling restraint 93, resonance(s) 'B.1.O4'' (nmrStar names),'B.1.C1'' (nmrStar names),'B.1.N9' (nmrStar names),'B.1.C4' (nmrStar names) not linked" rr_1eka 1
44 4 94 1 "Not handling restraint 94, resonance(s) 'B.2.O4'' (nmrStar names),'B.2.C1'' (nmrStar names),'B.2.N9' (nmrStar names),'B.2.C4' (nmrStar names) not linked" rr_1eka 1
45 4 95 1 "Not handling restraint 95, resonance(s) 'B.3.O4'' (nmrStar names),'B.3.C1'' (nmrStar names),'B.3.N9' (nmrStar names),'B.3.C4' (nmrStar names) not linked" rr_1eka 1
46 4 96 1 "Not handling restraint 96, resonance(s) 'B.4.O4'' (nmrStar names),'B.4.C1'' (nmrStar names),'B.4.N1' (nmrStar names),'B.4.C2' (nmrStar names) not linked" rr_1eka 1
47 4 97 1 "Not handling restraint 97, resonance(s) 'B.5.O4'' (nmrStar names),'B.5.C1'' (nmrStar names),'B.5.N9' (nmrStar names),'B.5.C4' (nmrStar names) not linked" rr_1eka 1
48 4 98 1 "Not handling restraint 98, resonance(s) 'B.6.O4'' (nmrStar names),'B.6.C1'' (nmrStar names),'B.6.N1' (nmrStar names),'B.6.C2' (nmrStar names) not linked" rr_1eka 1
49 4 99 1 "Not handling restraint 99, resonance(s) 'B.7.O4'' (nmrStar names),'B.7.C1'' (nmrStar names),'B.7.N1' (nmrStar names),'B.7.C2' (nmrStar names) not linked" rr_1eka 1
50 4 100 1 "Not handling restraint 100, resonance(s) 'B.8.O4'' (nmrStar names),'B.8.C1'' (nmrStar names),'B.8.N1' (nmrStar names),'B.8.C2' (nmrStar names) not linked" rr_1eka 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_1eka
_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 RNA 07-MAR-00 1EKA *TITLE NMR AND MOLECULAR MODELING REVEAL THAT DIFFERENT HYDROGEN *TITLE 2 BONDING PATTERNS ARE POSSIBLE FOR GU PAIRS: ONE HYDROGEN *TITLE 3 BOND FOR EACH GU PAIR IN R(GGCGUGCC)2 AND TWO FOR EACH GU *TITLE 4 PAIR IN R(GAGUGCUC)2 *COMPND MOL_ID: 1; *COMPND 2 MOLECULE: RNA (5'-R(*GP*AP*GP*UP*GP*CP*UP*C)-3'); *COMPND 3 CHAIN: A, B; *COMPND 4 ENGINEERED: YES *SOURCE MOL_ID: 1; *SOURCE 2 SYNTHETIC: YES *KEYWDS RNA, GU PAIR, HYDROGEN BONDS, DUBLE HELIX *EXPDTA NMR *AUTHOR X.CHEN, J.A.MCDOWELL, R.KIERZEK, T.R.KRUGH, D.H.TURNER *REVDAT 1 13-NOV-00 1EKA 0 !BIOSYM restraint 1
!
;
save_
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