NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | cing | stage | program | type | subtype | item_count |
|
|
374666 |
1ekd   |
cing | 3-converted-DOCR | STAR | entry | full | 136 |
data_DOCR_restraints_with_modified_coordinates_PDB_code_1ekd
# This DOCR archive file contains, for PDB entry <1ekd>:
#
# - 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_1ekd
_Entry.Title "wwPDB remediated NMR restraints for PDB entry 1ekd"
_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 1ekd"
save_
save_assembly
_Assembly.Sf_category assembly
_Assembly.Sf_framecode assembly
_Assembly.Entry_ID rr_1ekd
_Assembly.ID 1
_Assembly.Name 1ekd
_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 5243.14636
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 GP CP GP UP GP CP C 3" 1 $RNA__5__R__GP_GP_CP_GP_UP_GP_CP_C__3__ A . no . . . . . . rr_1ekd 1
2 "RNA 5 R GP GP CP GP UP GP CP C 3" 1 $RNA__5__R__GP_GP_CP_GP_UP_GP_CP_C__3__ B . no . . . . . . rr_1ekd 1
stop_
save_
save_RNA__5__R__GP_GP_CP_GP_UP_GP_CP_C__3__
_Entity.Sf_category entity
_Entity.Sf_framecode RNA__5__R__GP_GP_CP_GP_UP_GP_CP_C__3__
_Entity.Entry_ID rr_1ekd
_Entity.ID 1
_Entity.Name RNA__5__R__GP_GP_CP_GP_UP_GP_CP_C__3__
_Entity.Type polymer
_Entity.Polymer_type polyribonucleotide
_Entity.Polymer_strand_ID A,B
_Entity.Polymer_seq_one_letter_code GGCGUGCC
_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 2621.57318
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_1ekd 1
2 . G . rr_1ekd 1
3 . C . rr_1ekd 1
4 . G . rr_1ekd 1
5 . U . rr_1ekd 1
6 . G . rr_1ekd 1
7 . C . rr_1ekd 1
8 . C . rr_1ekd 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_1ekd 1
. G 2 2 rr_1ekd 1
. C 3 3 rr_1ekd 1
. G 4 4 rr_1ekd 1
. U 5 5 rr_1ekd 1
. G 6 6 rr_1ekd 1
. C 7 7 rr_1ekd 1
. C 8 8 rr_1ekd 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_1ekd
_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_1ekd
_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_1ekd 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_1ekd 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 -7.143 -13.147 -0.898 . . . 1.0 . . . . . . . . . . . . A . 1 G C1' . . . . . . . . . rr_1ekd 1
. 1 . 2 . 1 1 1 G C2 C -3.956 -12.656 2.070 . . . 1.0 . . . . . . . . . . . . A . 1 G C2 . . . . . . . . . rr_1ekd 1
. 1 . 3 . 1 1 1 G C2' C -8.050 -12.145 -0.180 . . . 1.0 . . . . . . . . . . . . A . 1 G C2' . . . . . . . . . rr_1ekd 1
. 1 . 4 . 1 1 1 G C3' C -8.583 -11.343 -1.361 . . . 1.0 . . . . . . . . . . . . A . 1 G C3' . . . . . . . . . rr_1ekd 1
. 1 . 5 . 1 1 1 G C4 C -4.845 -12.518 -0.001 . . . 1.0 . . . . . . . . . . . . A . 1 G C4 . . . . . . . . . rr_1ekd 1
. 1 . 6 . 1 1 1 G C4' C -8.771 -12.453 -2.393 . . . 1.0 . . . . . . . . . . . . A . 1 G C4' . . . . . . . . . rr_1ekd 1
. 1 . 7 . 1 1 1 G C5 C -3.691 -12.017 -0.563 . . . 1.0 . . . . . . . . . . . . A . 1 G C5 . . . . . . . . . rr_1ekd 1
. 1 . 8 . 1 1 1 G C5' C -8.860 -11.951 -3.842 . . . 1.0 . . . . . . . . . . . . A . 1 G C5' . . . . . . . . . rr_1ekd 1
. 1 . 9 . 1 1 1 G C6 C -2.537 -11.823 0.265 . . . 1.0 . . . . . . . . . . . . A . 1 G C6 . . . . . . . . . rr_1ekd 1
. 1 . 10 . 1 1 1 G C8 C -5.112 -12.155 -2.138 . . . 1.0 . . . . . . . . . . . . A . 1 G C8 . . . . . . . . . rr_1ekd 1
. 1 . 11 . 1 1 1 G H1 H -1.986 -12.051 2.230 . . . 1.0 . . . . . . . . . . . . A . 1 G H1 . . . . . . . . . rr_1ekd 1
. 1 . 12 . 1 1 1 G H1' H -7.115 -14.081 -0.335 . . . 1.0 . . . . . . . . . . . . A . 1 G H1' . . . . . . . . . rr_1ekd 1
. 1 . 13 . 1 1 1 G H2' H -7.500 -11.513 0.517 . . . 1.0 . . . . . . . . . . . . A . 1 G H2' . . . . . . . . . rr_1ekd 1
. 1 . 14 . 1 1 1 G H21 H -3.210 -12.772 3.965 . . . 1.0 . . . . . . . . . . . . A . 1 G H21 . . . . . . . . . rr_1ekd 1
. 1 . 15 . 1 1 1 G H22 H -4.883 -13.284 3.739 . . . 1.0 . . . . . . . . . . . . A . 1 G H22 . . . . . . . . . rr_1ekd 1
. 1 . 16 . 1 1 1 G H3' H -7.808 -10.653 -1.697 . . . 1.0 . . . . . . . . . . . . A . 1 G H3' . . . . . . . . . rr_1ekd 1
. 1 . 17 . 1 1 1 G H4' H -9.695 -12.982 -2.156 . . . 1.0 . . . . . . . . . . . . A . 1 G H4' . . . . . . . . . rr_1ekd 1
. 1 . 18 . 1 1 1 G H5' H -8.846 -12.809 -4.515 . . . 1.0 . . . . . . . . . . . . A . 1 G H5' . . . . . . . . . rr_1ekd 1
. 1 . 19 . 1 1 1 G H5'' H -9.805 -11.422 -3.973 . . . 1.0 . . . . . . . . . . . . A . 1 G H5'' . . . . . . . . . rr_1ekd 1
. 1 . 20 . 1 1 1 G H8 H -5.576 -12.106 -3.112 . . . 1.0 . . . . . . . . . . . . A . 1 G H8 . . . . . . . . . rr_1ekd 1
. 1 . 21 . 1 1 1 G HO2' H -9.809 -12.218 0.617 . . . 1.0 . . . . . . . . . . . . A . 1 G HO2' . . . . . . . . . rr_1ekd 1
. 1 . 22 . 1 1 1 G HO5' H -7.920 -10.245 -3.707 . . . 1.0 . . . . . . . . . . . . A . 1 G HO5' . . . . . . . . . rr_1ekd 1
. 1 . 23 . 1 1 1 G N1 N -2.762 -12.171 1.592 . . . 1.0 . . . . . . . . . . . . A . 1 G N1 . . . . . . . . . rr_1ekd 1
. 1 . 24 . 1 1 1 G N2 N -4.017 -12.933 3.366 . . . 1.0 . . . . . . . . . . . . A . 1 G N2 . . . . . . . . . rr_1ekd 1
. 1 . 25 . 1 1 1 G N3 N -5.040 -12.859 1.307 . . . 1.0 . . . . . . . . . . . . A . 1 G N3 . . . . . . . . . rr_1ekd 1
. 1 . 26 . 1 1 1 G N7 N -3.877 -11.795 -1.927 . . . 1.0 . . . . . . . . . . . . A . 1 G N7 . . . . . . . . . rr_1ekd 1
. 1 . 27 . 1 1 1 G N9 N -5.764 -12.616 -1.020 . . . 1.0 . . . . . . . . . . . . A . 1 G N9 . . . . . . . . . rr_1ekd 1
. 1 . 28 . 1 1 1 G O2' O -9.087 -12.842 0.488 . . . 1.0 . . . . . . . . . . . . A . 1 G O2' . . . . . . . . . rr_1ekd 1
. 1 . 29 . 1 1 1 G O3' O -9.792 -10.665 -1.078 . . . 1.0 . . . . . . . . . . . . A . 1 G O3' . . . . . . . . . rr_1ekd 1
. 1 . 30 . 1 1 1 G O4' O -7.694 -13.358 -2.195 . . . 1.0 . . . . . . . . . . . . A . 1 G O4' . . . . . . . . . rr_1ekd 1
. 1 . 31 . 1 1 1 G O5' O -7.801 -11.075 -4.182 . . . 1.0 . . . . . . . . . . . . A . 1 G O5' . . . . . . . . . rr_1ekd 1
. 1 . 32 . 1 1 1 G O6 O -1.422 -11.414 -0.051 . . . 1.0 . . . . . . . . . . . . A . 1 G O6 . . . . . . . . . rr_1ekd 1
. 1 . 33 . 1 1 2 G C1' C -6.649 -10.093 3.645 . . . 1.0 . . . . . . . . . . . . A . 2 G C1' . . . . . . . . . rr_1ekd 1
. 1 . 34 . 1 1 2 G C2 C -2.445 -9.320 4.466 . . . 1.0 . . . . . . . . . . . . A . 2 G C2 . . . . . . . . . rr_1ekd 1
. 1 . 35 . 1 1 2 G C2' C -7.171 -8.941 4.499 . . . 1.0 . . . . . . . . . . . . A . 2 G C2' . . . . . . . . . rr_1ekd 1
. 1 . 36 . 1 1 2 G C3' C -8.379 -8.462 3.698 . . . 1.0 . . . . . . . . . . . . A . 2 G C3' . . . . . . . . . rr_1ekd 1
. 1 . 37 . 1 1 2 G C4 C -4.263 -9.416 3.132 . . . 1.0 . . . . . . . . . . . . A . 2 G C4 . . . . . . . . . rr_1ekd 1
. 1 . 38 . 1 1 2 G C4' C -8.899 -9.802 3.181 . . . 1.0 . . . . . . . . . . . . A . 2 G C4' . . . . . . . . . rr_1ekd 1
. 1 . 39 . 1 1 2 G C5 C -3.583 -8.990 2.012 . . . 1.0 . . . . . . . . . . . . A . 2 G C5 . . . . . . . . . rr_1ekd 1
. 1 . 40 . 1 1 2 G C5' C -9.808 -9.676 1.956 . . . 1.0 . . . . . . . . . . . . A . 2 G C5' . . . . . . . . . rr_1ekd 1
. 1 . 41 . 1 1 2 G C6 C -2.176 -8.717 2.113 . . . 1.0 . . . . . . . . . . . . A . 2 G C6 . . . . . . . . . rr_1ekd 1
. 1 . 42 . 1 1 2 G C8 C -5.610 -9.278 1.419 . . . 1.0 . . . . . . . . . . . . A . 2 G C8 . . . . . . . . . rr_1ekd 1
. 1 . 43 . 1 1 2 G H1 H -0.704 -8.698 3.545 . . . 1.0 . . . . . . . . . . . . A . 2 G H1 . . . . . . . . . rr_1ekd 1
. 1 . 44 . 1 1 2 G H1' H -6.240 -10.863 4.299 . . . 1.0 . . . . . . . . . . . . A . 2 G H1' . . . . . . . . . rr_1ekd 1
. 1 . 45 . 1 1 2 G H2' H -6.432 -8.151 4.618 . . . 1.0 . . . . . . . . . . . . A . 2 G H2' . . . . . . . . . rr_1ekd 1
. 1 . 46 . 1 1 2 G H21 H -0.867 -9.140 5.747 . . . 1.0 . . . . . . . . . . . . A . 2 G H21 . . . . . . . . . rr_1ekd 1
. 1 . 47 . 1 1 2 G H22 H -2.387 -9.713 6.433 . . . 1.0 . . . . . . . . . . . . A . 2 G H22 . . . . . . . . . rr_1ekd 1
. 1 . 48 . 1 1 2 G H3' H -8.055 -7.843 2.859 . . . 1.0 . . . . . . . . . . . . A . 2 G H3' . . . . . . . . . rr_1ekd 1
. 1 . 49 . 1 1 2 G H4' H -9.468 -10.271 3.985 . . . 1.0 . . . . . . . . . . . . A . 2 G H4' . . . . . . . . . rr_1ekd 1
. 1 . 50 . 1 1 2 G H5' H -10.223 -10.657 1.727 . . . 1.0 . . . . . . . . . . . . A . 2 G H5' . . . . . . . . . rr_1ekd 1
. 1 . 51 . 1 1 2 G H5'' H -10.630 -8.996 2.187 . . . 1.0 . . . . . . . . . . . . A . 2 G H5'' . . . . . . . . . rr_1ekd 1
. 1 . 52 . 1 1 2 G H8 H -6.514 -9.318 0.829 . . . 1.0 . . . . . . . . . . . . A . 2 G H8 . . . . . . . . . rr_1ekd 1
. 1 . 53 . 1 1 2 G HO2' H -8.181 -8.824 6.138 . . . 1.0 . . . . . . . . . . . . A . 2 G HO2' . . . . . . . . . rr_1ekd 1
. 1 . 54 . 1 1 2 G N1 N -1.684 -8.902 3.401 . . . 1.0 . . . . . . . . . . . . A . 2 G N1 . . . . . . . . . rr_1ekd 1
. 1 . 55 . 1 1 2 G N2 N -1.843 -9.409 5.644 . . . 1.0 . . . . . . . . . . . . A . 2 G N2 . . . . . . . . . rr_1ekd 1
. 1 . 56 . 1 1 2 G N3 N -3.751 -9.604 4.383 . . . 1.0 . . . . . . . . . . . . A . 2 G N3 . . . . . . . . . rr_1ekd 1
. 1 . 57 . 1 1 2 G N7 N -4.458 -8.910 0.929 . . . 1.0 . . . . . . . . . . . . A . 2 G N7 . . . . . . . . . rr_1ekd 1
. 1 . 58 . 1 1 2 G N9 N -5.567 -9.623 2.748 . . . 1.0 . . . . . . . . . . . . A . 2 G N9 . . . . . . . . . rr_1ekd 1
. 1 . 59 . 1 1 2 G O2' O -7.557 -9.453 5.762 . . . 1.0 . . . . . . . . . . . . A . 2 G O2' . . . . . . . . . rr_1ekd 1
. 1 . 60 . 1 1 2 G O3' O -9.327 -7.791 4.514 . . . 1.0 . . . . . . . . . . . . A . 2 G O3' . . . . . . . . . rr_1ekd 1
. 1 . 61 . 1 1 2 G O4' O -7.758 -10.610 2.919 . . . 1.0 . . . . . . . . . . . . A . 2 G O4' . . . . . . . . . rr_1ekd 1
. 1 . 62 . 1 1 2 G O5' O -9.098 -9.191 0.832 . . . 1.0 . . . . . . . . . . . . A . 2 G O5' . . . . . . . . . rr_1ekd 1
. 1 . 63 . 1 1 2 G O6 O -1.391 -8.354 1.240 . . . 1.0 . . . . . . . . . . . . A . 2 G O6 . . . . . . . . . rr_1ekd 1
. 1 . 64 . 1 1 2 G OP1 O -11.194 -8.694 -0.465 . . . 1.0 . . . . . . . . . . . . A . 2 G OP1 . . . . . . . . . rr_1ekd 1
. 1 . 65 . 1 1 2 G OP2 O -8.887 -8.390 -1.541 . . . 1.0 . . . . . . . . . . . . A . 2 G OP2 . . . . . . . . . rr_1ekd 1
. 1 . 66 . 1 1 2 G P P -9.788 -9.121 -0.623 . . . 1.0 . . . . . . . . . . . . A . 2 G P . . . . . . . . . rr_1ekd 1
. 1 . 67 . 1 1 3 C C1' C -4.224 -6.475 6.670 . . . 1.0 . . . . . . . . . . . . A . 3 C C1' . . . . . . . . . rr_1ekd 1
. 1 . 68 . 1 1 3 C C2 C -2.431 -5.998 5.031 . . . 1.0 . . . . . . . . . . . . A . 3 C C2 . . . . . . . . . rr_1ekd 1
. 1 . 69 . 1 1 3 C C2' C -4.268 -5.201 7.511 . . . 1.0 . . . . . . . . . . . . A . 3 C C2' . . . . . . . . . rr_1ekd 1
. 1 . 70 . 1 1 3 C C3' C -5.742 -4.811 7.424 . . . 1.0 . . . . . . . . . . . . A . 3 C C3' . . . . . . . . . rr_1ekd 1
. 1 . 71 . 1 1 3 C C4 C -2.884 -5.454 2.803 . . . 1.0 . . . . . . . . . . . . A . 3 C C4 . . . . . . . . . rr_1ekd 1
. 1 . 72 . 1 1 3 C C4' C -6.378 -6.200 7.495 . . . 1.0 . . . . . . . . . . . . A . 3 C C4' . . . . . . . . . rr_1ekd 1
. 1 . 73 . 1 1 3 C C5 C -4.295 -5.586 3.014 . . . 1.0 . . . . . . . . . . . . A . 3 C C5 . . . . . . . . . rr_1ekd 1
. 1 . 74 . 1 1 3 C C5' C -7.826 -6.258 6.995 . . . 1.0 . . . . . . . . . . . . A . 3 C C5' . . . . . . . . . rr_1ekd 1
. 1 . 75 . 1 1 3 C C6 C -4.707 -5.925 4.261 . . . 1.0 . . . . . . . . . . . . A . 3 C C6 . . . . . . . . . rr_1ekd 1
. 1 . 76 . 1 1 3 C H1' H -3.495 -7.160 7.105 . . . 1.0 . . . . . . . . . . . . A . 3 C H1' . . . . . . . . . rr_1ekd 1
. 1 . 77 . 1 1 3 C H2' H -3.619 -4.421 7.115 . . . 1.0 . . . . . . . . . . . . A . 3 C H2' . . . . . . . . . rr_1ekd 1
. 1 . 78 . 1 1 3 C H3' H -5.958 -4.357 6.455 . . . 1.0 . . . . . . . . . . . . A . 3 C H3' . . . . . . . . . rr_1ekd 1
. 1 . 79 . 1 1 3 C H4' H -6.363 -6.521 8.537 . . . 1.0 . . . . . . . . . . . . A . 3 C H4' . . . . . . . . . rr_1ekd 1
. 1 . 80 . 1 1 3 C H41 H -1.394 -5.035 1.524 . . . 1.0 . . . . . . . . . . . . A . 3 C H41 . . . . . . . . . rr_1ekd 1
. 1 . 81 . 1 1 3 C H42 H -3.017 -4.935 0.843 . . . 1.0 . . . . . . . . . . . . A . 3 C H42 . . . . . . . . . rr_1ekd 1
. 1 . 82 . 1 1 3 C H5 H -5.024 -5.417 2.237 . . . 1.0 . . . . . . . . . . . . A . 3 C H5 . . . . . . . . . rr_1ekd 1
. 1 . 83 . 1 1 3 C H5' H -8.230 -7.248 7.207 . . . 1.0 . . . . . . . . . . . . A . 3 C H5' . . . . . . . . . rr_1ekd 1
. 1 . 84 . 1 1 3 C H5'' H -8.423 -5.517 7.528 . . . 1.0 . . . . . . . . . . . . A . 3 C H5'' . . . . . . . . . rr_1ekd 1
. 1 . 85 . 1 1 3 C H6 H -5.765 -6.012 4.452 . . . 1.0 . . . . . . . . . . . . A . 3 C H6 . . . . . . . . . rr_1ekd 1
. 1 . 86 . 1 1 3 C HO2' H -4.283 -4.852 9.408 . . . 1.0 . . . . . . . . . . . . A . 3 C HO2' . . . . . . . . . rr_1ekd 1
. 1 . 87 . 1 1 3 C N1 N -3.802 -6.146 5.276 . . . 1.0 . . . . . . . . . . . . A . 3 C N1 . . . . . . . . . rr_1ekd 1
. 1 . 88 . 1 1 3 C N3 N -2.007 -5.662 3.785 . . . 1.0 . . . . . . . . . . . . A . 3 C N3 . . . . . . . . . rr_1ekd 1
. 1 . 89 . 1 1 3 C N4 N -2.400 -5.121 1.615 . . . 1.0 . . . . . . . . . . . . A . 3 C N4 . . . . . . . . . rr_1ekd 1
. 1 . 90 . 1 1 3 C O2 O -1.599 -6.160 5.923 . . . 1.0 . . . . . . . . . . . . A . 3 C O2 . . . . . . . . . rr_1ekd 1
. 1 . 91 . 1 1 3 C O2' O -3.894 -5.523 8.839 . . . 1.0 . . . . . . . . . . . . A . 3 C O2' . . . . . . . . . rr_1ekd 1
. 1 . 92 . 1 1 3 C O3' O -6.125 -3.964 8.495 . . . 1.0 . . . . . . . . . . . . A . 3 C O3' . . . . . . . . . rr_1ekd 1
. 1 . 93 . 1 1 3 C O4' O -5.520 -7.060 6.751 . . . 1.0 . . . . . . . . . . . . A . 3 C O4' . . . . . . . . . rr_1ekd 1
. 1 . 94 . 1 1 3 C O5' O -7.893 -6.008 5.605 . . . 1.0 . . . . . . . . . . . . A . 3 C O5' . . . . . . . . . rr_1ekd 1
. 1 . 95 . 1 1 3 C OP1 O -10.395 -5.829 5.636 . . . 1.0 . . . . . . . . . . . . A . 3 C OP1 . . . . . . . . . rr_1ekd 1
. 1 . 96 . 1 1 3 C OP2 O -9.081 -5.535 3.457 . . . 1.0 . . . . . . . . . . . . A . 3 C OP2 . . . . . . . . . rr_1ekd 1
. 1 . 97 . 1 1 3 C P P -9.256 -6.197 4.767 . . . 1.0 . . . . . . . . . . . . A . 3 C P . . . . . . . . . rr_1ekd 1
. 1 . 98 . 1 1 4 G C1' C -0.777 -2.407 7.157 . . . 1.0 . . . . . . . . . . . . A . 4 G C1' . . . . . . . . . rr_1ekd 1
. 1 . 99 . 1 1 4 G C2 C 1.323 -1.437 3.464 . . . 1.0 . . . . . . . . . . . . A . 4 G C2 . . . . . . . . . rr_1ekd 1
. 1 . 100 . 1 1 4 G C2' C -0.427 -1.044 7.747 . . . 1.0 . . . . . . . . . . . . A . 4 G C2' . . . . . . . . . rr_1ekd 1
. 1 . 101 . 1 1 4 G C3' C -1.686 -0.691 8.533 . . . 1.0 . . . . . . . . . . . . A . 4 G C3' . . . . . . . . . rr_1ekd 1
. 1 . 102 . 1 1 4 G C4 C -0.503 -1.975 4.675 . . . 1.0 . . . . . . . . . . . . A . 4 G C4 . . . . . . . . . rr_1ekd 1
. 1 . 103 . 1 1 4 G C4' C -2.085 -2.075 9.043 . . . 1.0 . . . . . . . . . . . . A . 4 G C4' . . . . . . . . . rr_1ekd 1
. 1 . 104 . 1 1 4 G C5 C -1.334 -2.024 3.577 . . . 1.0 . . . . . . . . . . . . A . 4 G C5 . . . . . . . . . rr_1ekd 1
. 1 . 105 . 1 1 4 G C5' C -3.563 -2.182 9.431 . . . 1.0 . . . . . . . . . . . . A . 4 G C5' . . . . . . . . . rr_1ekd 1
. 1 . 106 . 1 1 4 G C6 C -0.780 -1.783 2.273 . . . 1.0 . . . . . . . . . . . . A . 4 G C6 . . . . . . . . . rr_1ekd 1
. 1 . 107 . 1 1 4 G C8 C -2.557 -2.404 5.280 . . . 1.0 . . . . . . . . . . . . A . 4 G C8 . . . . . . . . . rr_1ekd 1
. 1 . 108 . 1 1 4 G H1 H 1.044 -1.306 1.434 . . . 1.0 . . . . . . . . . . . . A . 4 G H1 . . . . . . . . . rr_1ekd 1
. 1 . 109 . 1 1 4 G H1' H 0.122 -3.019 7.129 . . . 1.0 . . . . . . . . . . . . A . 4 G H1' . . . . . . . . . rr_1ekd 1
. 1 . 110 . 1 1 4 G H2' H -0.214 -0.303 6.979 . . . 1.0 . . . . . . . . . . . . A . 4 G H2' . . . . . . . . . rr_1ekd 1
. 1 . 111 . 1 1 4 G H21 H 2.975 -0.929 2.405 . . . 1.0 . . . . . . . . . . . . A . 4 G H21 . . . . . . . . . rr_1ekd 1
. 1 . 112 . 1 1 4 G H22 H 3.171 -1.047 4.157 . . . 1.0 . . . . . . . . . . . . A . 4 G H22 . . . . . . . . . rr_1ekd 1
. 1 . 113 . 1 1 4 G H3' H -2.457 -0.303 7.866 . . . 1.0 . . . . . . . . . . . . A . 4 G H3' . . . . . . . . . rr_1ekd 1
. 1 . 114 . 1 1 4 G H4' H -1.479 -2.293 9.923 . . . 1.0 . . . . . . . . . . . . A . 4 G H4' . . . . . . . . . rr_1ekd 1
. 1 . 115 . 1 1 4 G H5' H -3.722 -3.132 9.937 . . . 1.0 . . . . . . . . . . . . A . 4 G H5' . . . . . . . . . rr_1ekd 1
. 1 . 116 . 1 1 4 G H5'' H -3.814 -1.374 10.120 . . . 1.0 . . . . . . . . . . . . A . 4 G H5'' . . . . . . . . . rr_1ekd 1
. 1 . 117 . 1 1 4 G H8 H -3.413 -2.600 5.910 . . . 1.0 . . . . . . . . . . . . A . 4 G H8 . . . . . . . . . rr_1ekd 1
. 1 . 118 . 1 1 4 G HO2' H 0.602 -0.530 9.295 . . . 1.0 . . . . . . . . . . . . A . 4 G HO2' . . . . . . . . . rr_1ekd 1
. 1 . 119 . 1 1 4 G N1 N 0.581 -1.498 2.310 . . . 1.0 . . . . . . . . . . . . A . 4 G N1 . . . . . . . . . rr_1ekd 1
. 1 . 120 . 1 1 4 G N2 N 2.598 -1.095 3.331 . . . 1.0 . . . . . . . . . . . . A . 4 G N2 . . . . . . . . . rr_1ekd 1
. 1 . 121 . 1 1 4 G N3 N 0.831 -1.686 4.683 . . . 1.0 . . . . . . . . . . . . A . 4 G N3 . . . . . . . . . rr_1ekd 1
. 1 . 122 . 1 1 4 G N7 N -2.642 -2.286 3.984 . . . 1.0 . . . . . . . . . . . . A . 4 G N7 . . . . . . . . . rr_1ekd 1
. 1 . 123 . 1 1 4 G N9 N -1.282 -2.270 5.770 . . . 1.0 . . . . . . . . . . . . A . 4 G N9 . . . . . . . . . rr_1ekd 1
. 1 . 124 . 1 1 4 G O2' O 0.687 -1.201 8.609 . . . 1.0 . . . . . . . . . . . . A . 4 G O2' . . . . . . . . . rr_1ekd 1
. 1 . 125 . 1 1 4 G O3' O -1.390 0.210 9.589 . . . 1.0 . . . . . . . . . . . . A . 4 G O3' . . . . . . . . . rr_1ekd 1
. 1 . 126 . 1 1 4 G O4' O -1.733 -3.003 8.024 . . . 1.0 . . . . . . . . . . . . A . 4 G O4' . . . . . . . . . rr_1ekd 1
. 1 . 127 . 1 1 4 G O5' O -4.397 -2.111 8.291 . . . 1.0 . . . . . . . . . . . . A . 4 G O5' . . . . . . . . . rr_1ekd 1
. 1 . 128 . 1 1 4 G O6 O -1.342 -1.778 1.181 . . . 1.0 . . . . . . . . . . . . A . 4 G O6 . . . . . . . . . rr_1ekd 1
. 1 . 129 . 1 1 4 G OP1 O -6.469 -1.785 9.670 . . . 1.0 . . . . . . . . . . . . A . 4 G OP1 . . . . . . . . . rr_1ekd 1
. 1 . 130 . 1 1 4 G OP2 O -6.598 -1.927 7.117 . . . 1.0 . . . . . . . . . . . . A . 4 G OP2 . . . . . . . . . rr_1ekd 1
. 1 . 131 . 1 1 4 G P P -5.989 -2.357 8.392 . . . 1.0 . . . . . . . . . . . . A . 4 G P . . . . . . . . . rr_1ekd 1
. 1 . 132 . 1 1 5 U C1' C 1.279 2.024 4.753 . . . 1.0 . . . . . . . . . . . . A . 5 U C1' . . . . . . . . . rr_1ekd 1
. 1 . 133 . 1 1 5 U C2 C -0.050 1.690 2.689 . . . 1.0 . . . . . . . . . . . . A . 5 U C2 . . . . . . . . . rr_1ekd 1
. 1 . 134 . 1 1 5 U C2' C 1.501 3.530 4.881 . . . 1.0 . . . . . . . . . . . . A . 5 U C2' . . . . . . . . . rr_1ekd 1
. 1 . 135 . 1 1 5 U C3' C 1.156 3.795 6.341 . . . 1.0 . . . . . . . . . . . . A . 5 U C3' . . . . . . . . . rr_1ekd 1
. 1 . 136 . 1 1 5 U C4 C -2.488 1.317 2.753 . . . 1.0 . . . . . . . . . . . . A . 5 U C4 . . . . . . . . . rr_1ekd 1
. 1 . 137 . 1 1 5 U C4' C 1.601 2.498 7.010 . . . 1.0 . . . . . . . . . . . . A . 5 U C4' . . . . . . . . . rr_1ekd 1
. 1 . 138 . 1 1 5 U C5 C -2.379 1.358 4.198 . . . 1.0 . . . . . . . . . . . . A . 5 U C5 . . . . . . . . . rr_1ekd 1
. 1 . 139 . 1 1 5 U C5' C 0.902 2.239 8.351 . . . 1.0 . . . . . . . . . . . . A . 5 U C5' . . . . . . . . . rr_1ekd 1
. 1 . 140 . 1 1 5 U C6 C -1.187 1.563 4.814 . . . 1.0 . . . . . . . . . . . . A . 5 U C6 . . . . . . . . . rr_1ekd 1
. 1 . 141 . 1 1 5 U H1' H 2.082 1.622 4.135 . . . 1.0 . . . . . . . . . . . . A . 5 U H1' . . . . . . . . . rr_1ekd 1
. 1 . 142 . 1 1 5 U H2' H 0.840 4.093 4.222 . . . 1.0 . . . . . . . . . . . . A . 5 U H2' . . . . . . . . . rr_1ekd 1
. 1 . 143 . 1 1 5 U H3 H -1.321 1.444 1.082 . . . 1.0 . . . . . . . . . . . . A . 5 U H3 . . . . . . . . . rr_1ekd 1
. 1 . 144 . 1 1 5 U H3' H 0.074 3.893 6.442 . . . 1.0 . . . . . . . . . . . . A . 5 U H3' . . . . . . . . . rr_1ekd 1
. 1 . 145 . 1 1 5 U H4' H 2.675 2.564 7.184 . . . 1.0 . . . . . . . . . . . . A . 5 U H4' . . . . . . . . . rr_1ekd 1
. 1 . 146 . 1 1 5 U H5 H -3.274 1.226 4.788 . . . 1.0 . . . . . . . . . . . . A . 5 U H5 . . . . . . . . . rr_1ekd 1
. 1 . 147 . 1 1 5 U H5' H 1.300 1.325 8.789 . . . 1.0 . . . . . . . . . . . . A . 5 U H5' . . . . . . . . . rr_1ekd 1
. 1 . 148 . 1 1 5 U H5'' H 1.111 3.071 9.026 . . . 1.0 . . . . . . . . . . . . A . 5 U H5'' . . . . . . . . . rr_1ekd 1
. 1 . 149 . 1 1 5 U H6 H -1.157 1.594 5.892 . . . 1.0 . . . . . . . . . . . . A . 5 U H6 . . . . . . . . . rr_1ekd 1
. 1 . 150 . 1 1 5 U HO2' H 3.040 4.718 4.873 . . . 1.0 . . . . . . . . . . . . A . 5 U HO2' . . . . . . . . . rr_1ekd 1
. 1 . 151 . 1 1 5 U N1 N -0.025 1.729 4.089 . . . 1.0 . . . . . . . . . . . . A . 5 U N1 . . . . . . . . . rr_1ekd 1
. 1 . 152 . 1 1 5 U N3 N -1.285 1.489 2.088 . . . 1.0 . . . . . . . . . . . . A . 5 U N3 . . . . . . . . . rr_1ekd 1
. 1 . 153 . 1 1 5 U O2 O 0.957 1.816 1.994 . . . 1.0 . . . . . . . . . . . . A . 5 U O2 . . . . . . . . . rr_1ekd 1
. 1 . 154 . 1 1 5 U O2' O 2.861 3.811 4.598 . . . 1.0 . . . . . . . . . . . . A . 5 U O2' . . . . . . . . . rr_1ekd 1
. 1 . 155 . 1 1 5 U O3' O 1.818 4.927 6.880 . . . 1.0 . . . . . . . . . . . . A . 5 U O3' . . . . . . . . . rr_1ekd 1
. 1 . 156 . 1 1 5 U O4 O -3.524 1.157 2.118 . . . 1.0 . . . . . . . . . . . . A . 5 U O4 . . . . . . . . . rr_1ekd 1
. 1 . 157 . 1 1 5 U O4' O 1.373 1.462 6.061 . . . 1.0 . . . . . . . . . . . . A . 5 U O4' . . . . . . . . . rr_1ekd 1
. 1 . 158 . 1 1 5 U O5' O -0.497 2.121 8.173 . . . 1.0 . . . . . . . . . . . . A . 5 U O5' . . . . . . . . . rr_1ekd 1
. 1 . 159 . 1 1 5 U OP1 O -0.969 2.447 10.617 . . . 1.0 . . . . . . . . . . . . A . 5 U OP1 . . . . . . . . . rr_1ekd 1
. 1 . 160 . 1 1 5 U OP2 O -2.874 2.112 8.940 . . . 1.0 . . . . . . . . . . . . A . 5 U OP2 . . . . . . . . . rr_1ekd 1
. 1 . 161 . 1 1 5 U P P -1.502 1.807 9.395 . . . 1.0 . . . . . . . . . . . . A . 5 U P . . . . . . . . . rr_1ekd 1
. 1 . 162 . 1 1 6 G C1' C 4.285 6.606 2.119 . . . 1.0 . . . . . . . . . . . . A . 6 G C1' . . . . . . . . . rr_1ekd 1
. 1 . 163 . 1 1 6 G C2 C 3.012 6.302 -2.039 . . . 1.0 . . . . . . . . . . . . A . 6 G C2 . . . . . . . . . rr_1ekd 1
. 1 . 164 . 1 1 6 G C2' C 4.422 8.124 2.077 . . . 1.0 . . . . . . . . . . . . A . 6 G C2' . . . . . . . . . rr_1ekd 1
. 1 . 165 . 1 1 6 G C3' C 3.881 8.534 3.444 . . . 1.0 . . . . . . . . . . . . A . 6 G C3' . . . . . . . . . rr_1ekd 1
. 1 . 166 . 1 1 6 G C4 C 2.716 6.119 0.188 . . . 1.0 . . . . . . . . . . . . A . 6 G C4 . . . . . . . . . rr_1ekd 1
. 1 . 167 . 1 1 6 G C4' C 4.419 7.384 4.299 . . . 1.0 . . . . . . . . . . . . A . 6 G C4' . . . . . . . . . rr_1ekd 1
. 1 . 168 . 1 1 6 G C5 C 1.439 5.612 0.073 . . . 1.0 . . . . . . . . . . . . A . 6 G C5 . . . . . . . . . rr_1ekd 1
. 1 . 169 . 1 1 6 G C5' C 3.658 7.168 5.610 . . . 1.0 . . . . . . . . . . . . A . 6 G C5' . . . . . . . . . rr_1ekd 1
. 1 . 170 . 1 1 6 G C6 C 0.890 5.395 -1.234 . . . 1.0 . . . . . . . . . . . . A . 6 G C6 . . . . . . . . . rr_1ekd 1
. 1 . 171 . 1 1 6 G C8 C 1.844 5.756 2.151 . . . 1.0 . . . . . . . . . . . . A . 6 G C8 . . . . . . . . . rr_1ekd 1
. 1 . 172 . 1 1 6 G H1 H 1.412 5.683 -3.195 . . . 1.0 . . . . . . . . . . . . A . 6 G H1 . . . . . . . . . rr_1ekd 1
. 1 . 173 . 1 1 6 G H1' H 5.093 6.159 1.537 . . . 1.0 . . . . . . . . . . . . A . 6 G H1' . . . . . . . . . rr_1ekd 1
. 1 . 174 . 1 1 6 G H2' H 3.848 8.569 1.266 . . . 1.0 . . . . . . . . . . . . A . 6 G H2' . . . . . . . . . rr_1ekd 1
. 1 . 175 . 1 1 6 G H21 H 3.285 6.599 -4.032 . . . 1.0 . . . . . . . . . . . . A . 6 G H21 . . . . . . . . . rr_1ekd 1
. 1 . 176 . 1 1 6 G H22 H 4.619 7.065 -2.973 . . . 1.0 . . . . . . . . . . . . A . 6 G H22 . . . . . . . . . rr_1ekd 1
. 1 . 177 . 1 1 6 G H3' H 2.790 8.513 3.440 . . . 1.0 . . . . . . . . . . . . A . 6 G H3' . . . . . . . . . rr_1ekd 1
. 1 . 178 . 1 1 6 G H4' H 5.461 7.603 4.537 . . . 1.0 . . . . . . . . . . . . A . 6 G H4' . . . . . . . . . rr_1ekd 1
. 1 . 179 . 1 1 6 G H5' H 4.141 6.365 6.169 . . . 1.0 . . . . . . . . . . . . A . 6 G H5' . . . . . . . . . rr_1ekd 1
. 1 . 180 . 1 1 6 G H5'' H 3.699 8.083 6.201 . . . 1.0 . . . . . . . . . . . . A . 6 G H5'' . . . . . . . . . rr_1ekd 1
. 1 . 181 . 1 1 6 G H8 H 1.742 5.711 3.223 . . . 1.0 . . . . . . . . . . . . A . 6 G H8 . . . . . . . . . rr_1ekd 1
. 1 . 182 . 1 1 6 G HO2' H 5.912 9.319 2.340 . . . 1.0 . . . . . . . . . . . . A . 6 G HO2' . . . . . . . . . rr_1ekd 1
. 1 . 183 . 1 1 6 G N1 N 1.754 5.787 -2.249 . . . 1.0 . . . . . . . . . . . . A . 6 G N1 . . . . . . . . . rr_1ekd 1
. 1 . 184 . 1 1 6 G N2 N 3.701 6.675 -3.108 . . . 1.0 . . . . . . . . . . . . A . 6 G N2 . . . . . . . . . rr_1ekd 1
. 1 . 185 . 1 1 6 G N3 N 3.553 6.480 -0.827 . . . 1.0 . . . . . . . . . . . . A . 6 G N3 . . . . . . . . . rr_1ekd 1
. 1 . 186 . 1 1 6 G N7 N 0.895 5.390 1.336 . . . 1.0 . . . . . . . . . . . . A . 6 G N7 . . . . . . . . . rr_1ekd 1
. 1 . 187 . 1 1 6 G N9 N 2.993 6.179 1.532 . . . 1.0 . . . . . . . . . . . . A . 6 G N9 . . . . . . . . . rr_1ekd 1
. 1 . 188 . 1 1 6 G O2' O 5.795 8.449 1.947 . . . 1.0 . . . . . . . . . . . . A . 6 G O2' . . . . . . . . . rr_1ekd 1
. 1 . 189 . 1 1 6 G O3' O 4.382 9.800 3.848 . . . 1.0 . . . . . . . . . . . . A . 6 G O3' . . . . . . . . . rr_1ekd 1
. 1 . 190 . 1 1 6 G O4' O 4.391 6.218 3.483 . . . 1.0 . . . . . . . . . . . . A . 6 G O4' . . . . . . . . . rr_1ekd 1
. 1 . 191 . 1 1 6 G O5' O 2.306 6.825 5.369 . . . 1.0 . . . . . . . . . . . . A . 6 G O5' . . . . . . . . . rr_1ekd 1
. 1 . 192 . 1 1 6 G O6 O -0.203 4.925 -1.539 . . . 1.0 . . . . . . . . . . . . A . 6 G O6 . . . . . . . . . rr_1ekd 1
. 1 . 193 . 1 1 6 G OP1 O 1.643 7.273 7.752 . . . 1.0 . . . . . . . . . . . . A . 6 G OP1 . . . . . . . . . rr_1ekd 1
. 1 . 194 . 1 1 6 G OP2 O -0.061 6.385 6.051 . . . 1.0 . . . . . . . . . . . . A . 6 G OP2 . . . . . . . . . rr_1ekd 1
. 1 . 195 . 1 1 6 G P P 1.318 6.430 6.581 . . . 1.0 . . . . . . . . . . . . A . 6 G P . . . . . . . . . rr_1ekd 1
. 1 . 196 . 1 1 7 C C1' C 3.594 10.301 -1.870 . . . 1.0 . . . . . . . . . . . . A . 7 C C1' . . . . . . . . . rr_1ekd 1
. 1 . 197 . 1 1 7 C C2 C 1.507 9.313 -2.779 . . . 1.0 . . . . . . . . . . . . A . 7 C C2 . . . . . . . . . rr_1ekd 1
. 1 . 198 . 1 1 7 C C2' C 3.510 11.780 -2.246 . . . 1.0 . . . . . . . . . . . . A . 7 C C2' . . . . . . . . . rr_1ekd 1
. 1 . 199 . 1 1 7 C C3' C 3.785 12.478 -0.917 . . . 1.0 . . . . . . . . . . . . A . 7 C C3' . . . . . . . . . rr_1ekd 1
. 1 . 200 . 1 1 7 C C4 C -0.207 8.534 -1.390 . . . 1.0 . . . . . . . . . . . . A . 7 C C4 . . . . . . . . . rr_1ekd 1
. 1 . 201 . 1 1 7 C C4' C 4.818 11.525 -0.318 . . . 1.0 . . . . . . . . . . . . A . 7 C C4' . . . . . . . . . rr_1ekd 1
. 1 . 202 . 1 1 7 C C5 C 0.485 8.980 -0.217 . . . 1.0 . . . . . . . . . . . . A . 7 C C5 . . . . . . . . . rr_1ekd 1
. 1 . 203 . 1 1 7 C C5' C 4.952 11.654 1.204 . . . 1.0 . . . . . . . . . . . . A . 7 C C5' . . . . . . . . . rr_1ekd 1
. 1 . 204 . 1 1 7 C C6 C 1.694 9.571 -0.394 . . . 1.0 . . . . . . . . . . . . A . 7 C C6 . . . . . . . . . rr_1ekd 1
. 1 . 205 . 1 1 7 C H1' H 4.070 9.763 -2.692 . . . 1.0 . . . . . . . . . . . . A . 7 C H1' . . . . . . . . . rr_1ekd 1
. 1 . 206 . 1 1 7 C H2' H 2.535 12.051 -2.646 . . . 1.0 . . . . . . . . . . . . A . 7 C H2' . . . . . . . . . rr_1ekd 1
. 1 . 207 . 1 1 7 C H3' H 2.886 12.479 -0.300 . . . 1.0 . . . . . . . . . . . . A . 7 C H3' . . . . . . . . . rr_1ekd 1
. 1 . 208 . 1 1 7 C H4' H 5.784 11.748 -0.771 . . . 1.0 . . . . . . . . . . . . A . 7 C H4' . . . . . . . . . rr_1ekd 1
. 1 . 209 . 1 1 7 C H41 H -1.817 7.588 -2.143 . . . 1.0 . . . . . . . . . . . . A . 7 C H41 . . . . . . . . . rr_1ekd 1
. 1 . 210 . 1 1 7 C H42 H -1.760 7.695 -0.387 . . . 1.0 . . . . . . . . . . . . A . 7 C H42 . . . . . . . . . rr_1ekd 1
. 1 . 211 . 1 1 7 C H5 H 0.093 8.858 0.781 . . . 1.0 . . . . . . . . . . . . A . 7 C H5 . . . . . . . . . rr_1ekd 1
. 1 . 212 . 1 1 7 C H5' H 5.784 11.039 1.540 . . . 1.0 . . . . . . . . . . . . A . 7 C H5' . . . . . . . . . rr_1ekd 1
. 1 . 213 . 1 1 7 C H5'' H 5.162 12.694 1.458 . . . 1.0 . . . . . . . . . . . . A . 7 C H5'' . . . . . . . . . rr_1ekd 1
. 1 . 214 . 1 1 7 C H6 H 2.237 9.916 0.472 . . . 1.0 . . . . . . . . . . . . A . 7 C H6 . . . . . . . . . rr_1ekd 1
. 1 . 215 . 1 1 7 C HO2' H 4.730 12.998 -3.109 . . . 1.0 . . . . . . . . . . . . A . 7 C HO2' . . . . . . . . . rr_1ekd 1
. 1 . 216 . 1 1 7 C N1 N 2.236 9.719 -1.652 . . . 1.0 . . . . . . . . . . . . A . 7 C N1 . . . . . . . . . rr_1ekd 1
. 1 . 217 . 1 1 7 C N3 N 0.295 8.717 -2.612 . . . 1.0 . . . . . . . . . . . . A . 7 C N3 . . . . . . . . . rr_1ekd 1
. 1 . 218 . 1 1 7 C N4 N -1.376 7.918 -1.290 . . . 1.0 . . . . . . . . . . . . A . 7 C N4 . . . . . . . . . rr_1ekd 1
. 1 . 219 . 1 1 7 C O2 O 1.937 9.489 -3.917 . . . 1.0 . . . . . . . . . . . . A . 7 C O2 . . . . . . . . . rr_1ekd 1
. 1 . 220 . 1 1 7 C O2' O 4.524 12.062 -3.192 . . . 1.0 . . . . . . . . . . . . A . 7 C O2' . . . . . . . . . rr_1ekd 1
. 1 . 221 . 1 1 7 C O3' O 4.299 13.791 -1.097 . . . 1.0 . . . . . . . . . . . . A . 7 C O3' . . . . . . . . . rr_1ekd 1
. 1 . 222 . 1 1 7 C O4' O 4.432 10.214 -0.720 . . . 1.0 . . . . . . . . . . . . A . 7 C O4' . . . . . . . . . rr_1ekd 1
. 1 . 223 . 1 1 7 C O5' O 3.761 11.242 1.848 . . . 1.0 . . . . . . . . . . . . A . 7 C O5' . . . . . . . . . rr_1ekd 1
. 1 . 224 . 1 1 7 C OP1 O 4.410 12.294 4.030 . . . 1.0 . . . . . . . . . . . . A . 7 C OP1 . . . . . . . . . rr_1ekd 1
. 1 . 225 . 1 1 7 C OP2 O 2.199 11.027 3.782 . . . 1.0 . . . . . . . . . . . . A . 7 C OP2 . . . . . . . . . rr_1ekd 1
. 1 . 226 . 1 1 7 C P P 3.632 11.176 3.453 . . . 1.0 . . . . . . . . . . . . A . 7 C P . . . . . . . . . rr_1ekd 1
. 1 . 227 . 1 1 8 C C1' C 0.806 13.341 -5.786 . . . 1.0 . . . . . . . . . . . . A . 8 C C1' . . . . . . . . . rr_1ekd 1
. 1 . 228 . 1 1 8 C C2 C -1.116 11.793 -5.497 . . . 1.0 . . . . . . . . . . . . A . 8 C C2 . . . . . . . . . rr_1ekd 1
. 1 . 229 . 1 1 8 C C2' C 0.252 14.749 -6.031 . . . 1.0 . . . . . . . . . . . . A . 8 C C2' . . . . . . . . . rr_1ekd 1
. 1 . 230 . 1 1 8 C C3' C 1.064 15.587 -5.048 . . . 1.0 . . . . . . . . . . . . A . 8 C C3' . . . . . . . . . rr_1ekd 1
. 1 . 231 . 1 1 8 C C4 C -1.890 11.172 -3.377 . . . 1.0 . . . . . . . . . . . . A . 8 C C4 . . . . . . . . . rr_1ekd 1
. 1 . 232 . 1 1 8 C C4' C 2.412 14.867 -5.114 . . . 1.0 . . . . . . . . . . . . A . 8 C C4' . . . . . . . . . rr_1ekd 1
. 1 . 233 . 1 1 8 C C5 C -0.883 11.960 -2.730 . . . 1.0 . . . . . . . . . . . . A . 8 C C5 . . . . . . . . . rr_1ekd 1
. 1 . 234 . 1 1 8 C C5' C 3.321 15.165 -3.918 . . . 1.0 . . . . . . . . . . . . A . 8 C C5' . . . . . . . . . rr_1ekd 1
. 1 . 235 . 1 1 8 C C6 C -0.022 12.640 -3.527 . . . 1.0 . . . . . . . . . . . . A . 8 C C6 . . . . . . . . . rr_1ekd 1
. 1 . 236 . 1 1 8 C H1' H 0.902 12.830 -6.746 . . . 1.0 . . . . . . . . . . . . A . 8 C H1' . . . . . . . . . rr_1ekd 1
. 1 . 237 . 1 1 8 C H2' H -0.817 14.818 -5.822 . . . 1.0 . . . . . . . . . . . . A . 8 C H2' . . . . . . . . . rr_1ekd 1
. 1 . 238 . 1 1 8 C H3' H 0.628 15.487 -4.052 . . . 1.0 . . . . . . . . . . . . A . 8 C H3' . . . . . . . . . rr_1ekd 1
. 1 . 239 . 1 1 8 C H4' H 2.922 15.164 -6.031 . . . 1.0 . . . . . . . . . . . . A . 8 C H4' . . . . . . . . . rr_1ekd 1
. 1 . 240 . 1 1 8 C H41 H -3.488 9.965 -3.159 . . . 1.0 . . . . . . . . . . . . A . 8 C H41 . . . . . . . . . rr_1ekd 1
. 1 . 241 . 1 1 8 C H42 H -2.721 10.478 -1.659 . . . 1.0 . . . . . . . . . . . . A . 8 C H42 . . . . . . . . . rr_1ekd 1
. 1 . 242 . 1 1 8 C H5 H -0.793 12.036 -1.657 . . . 1.0 . . . . . . . . . . . . A . 8 C H5 . . . . . . . . . rr_1ekd 1
. 1 . 243 . 1 1 8 C H5' H 4.242 14.589 -4.010 . . . 1.0 . . . . . . . . . . . . A . 8 C H5' . . . . . . . . . rr_1ekd 1
. 1 . 244 . 1 1 8 C H5'' H 3.570 16.227 -3.916 . . . 1.0 . . . . . . . . . . . . A . 8 C H5'' . . . . . . . . . rr_1ekd 1
. 1 . 245 . 1 1 8 C H6 H 0.738 13.256 -3.070 . . . 1.0 . . . . . . . . . . . . A . 8 C H6 . . . . . . . . . rr_1ekd 1
. 1 . 246 . 1 1 8 C HO2' H 0.567 16.093 -7.379 . . . 1.0 . . . . . . . . . . . . A . 8 C HO2' . . . . . . . . . rr_1ekd 1
. 1 . 247 . 1 1 8 C HO3' H 1.574 17.436 -4.718 . . . 1.0 . . . . . . . . . . . . A . 8 C HO3' . . . . . . . . . rr_1ekd 1
. 1 . 248 . 1 1 8 C N1 N -0.103 12.556 -4.900 . . . 1.0 . . . . . . . . . . . . A . 8 C N1 . . . . . . . . . rr_1ekd 1
. 1 . 249 . 1 1 8 C N3 N -1.991 11.115 -4.705 . . . 1.0 . . . . . . . . . . . . A . 8 C N3 . . . . . . . . . rr_1ekd 1
. 1 . 250 . 1 1 8 C N4 N -2.778 10.496 -2.663 . . . 1.0 . . . . . . . . . . . . A . 8 C N4 . . . . . . . . . rr_1ekd 1
. 1 . 251 . 1 1 8 C O2 O -1.244 11.737 -6.719 . . . 1.0 . . . . . . . . . . . . A . 8 C O2 . . . . . . . . . rr_1ekd 1
. 1 . 252 . 1 1 8 C O2' O 0.517 15.131 -7.368 . . . 1.0 . . . . . . . . . . . . A . 8 C O2' . . . . . . . . . rr_1ekd 1
. 1 . 253 . 1 1 8 C O3' O 1.127 16.954 -5.419 . . . 1.0 . . . . . . . . . . . . A . 8 C O3' . . . . . . . . . rr_1ekd 1
. 1 . 254 . 1 1 8 C O4' O 2.099 13.484 -5.206 . . . 1.0 . . . . . . . . . . . . A . 8 C O4' . . . . . . . . . rr_1ekd 1
. 1 . 255 . 1 1 8 C O5' O 2.656 14.833 -2.714 . . . 1.0 . . . . . . . . . . . . A . 8 C O5' . . . . . . . . . rr_1ekd 1
. 1 . 256 . 1 1 8 C OP1 O 4.168 16.282 -1.346 . . . 1.0 . . . . . . . . . . . . A . 8 C OP1 . . . . . . . . . rr_1ekd 1
. 1 . 257 . 1 1 8 C OP2 O 2.251 14.978 -0.260 . . . 1.0 . . . . . . . . . . . . A . 8 C OP2 . . . . . . . . . rr_1ekd 1
. 1 . 258 . 1 1 8 C P P 3.327 15.068 -1.269 . . . 1.0 . . . . . . . . . . . . A . 8 C P . . . . . . . . . rr_1ekd 1
. 1 . 259 . 2 1 1 G C1' C -8.183 8.547 -9.238 . . . 1.0 . . . . . . . . . . . . B . 1 G C1' . . . . . . . . . rr_1ekd 1
. 1 . 260 . 2 1 1 G C2 C -4.426 10.117 -7.610 . . . 1.0 . . . . . . . . . . . . B . 1 G C2 . . . . . . . . . rr_1ekd 1
. 1 . 261 . 2 1 1 G C2' C -7.441 7.529 -10.107 . . . 1.0 . . . . . . . . . . . . B . 1 G C2' . . . . . . . . . rr_1ekd 1
. 1 . 262 . 2 1 1 G C3' C -8.292 6.287 -9.879 . . . 1.0 . . . . . . . . . . . . B . 1 G C3' . . . . . . . . . rr_1ekd 1
. 1 . 263 . 2 1 1 G C4 C -6.435 9.095 -7.469 . . . 1.0 . . . . . . . . . . . . B . 1 G C4 . . . . . . . . . rr_1ekd 1
. 1 . 264 . 2 1 1 G C4' C -9.690 6.900 -9.859 . . . 1.0 . . . . . . . . . . . . B . 1 G C4' . . . . . . . . . rr_1ekd 1
. 1 . 265 . 2 1 1 G C5 C -6.359 8.932 -6.102 . . . 1.0 . . . . . . . . . . . . B . 1 G C5 . . . . . . . . . rr_1ekd 1
. 1 . 266 . 2 1 1 G C5' C -10.753 6.009 -9.199 . . . 1.0 . . . . . . . . . . . . B . 1 G C5' . . . . . . . . . rr_1ekd 1
. 1 . 267 . 2 1 1 G C6 C -5.206 9.420 -5.403 . . . 1.0 . . . . . . . . . . . . B . 1 G C6 . . . . . . . . . rr_1ekd 1
. 1 . 268 . 2 1 1 G C8 C -8.215 8.087 -6.701 . . . 1.0 . . . . . . . . . . . . B . 1 G C8 . . . . . . . . . rr_1ekd 1
. 1 . 269 . 2 1 1 G H1 H -3.432 10.367 -5.816 . . . 1.0 . . . . . . . . . . . . B . 1 G H1 . . . . . . . . . rr_1ekd 1
. 1 . 270 . 2 1 1 G H1' H -8.073 9.543 -9.670 . . . 1.0 . . . . . . . . . . . . B . 1 G H1' . . . . . . . . . rr_1ekd 1
. 1 . 271 . 2 1 1 G H2' H -6.413 7.375 -9.779 . . . 1.0 . . . . . . . . . . . . B . 1 G H2' . . . . . . . . . rr_1ekd 1
. 1 . 272 . 2 1 1 G H21 H -2.607 11.019 -7.796 . . . 1.0 . . . . . . . . . . . . B . 1 G H21 . . . . . . . . . rr_1ekd 1
. 1 . 273 . 2 1 1 G H22 H -3.528 10.779 -9.280 . . . 1.0 . . . . . . . . . . . . B . 1 G H22 . . . . . . . . . rr_1ekd 1
. 1 . 274 . 2 1 1 G H3' H -8.055 5.875 -8.898 . . . 1.0 . . . . . . . . . . . . B . 1 G H3' . . . . . . . . . rr_1ekd 1
. 1 . 275 . 2 1 1 G H4' H -9.993 7.089 -10.890 . . . 1.0 . . . . . . . . . . . . B . 1 G H4' . . . . . . . . . rr_1ekd 1
. 1 . 276 . 2 1 1 G H5' H -11.675 6.581 -9.088 . . . 1.0 . . . . . . . . . . . . B . 1 G H5' . . . . . . . . . rr_1ekd 1
. 1 . 277 . 2 1 1 G H5'' H -10.950 5.157 -9.851 . . . 1.0 . . . . . . . . . . . . B . 1 G H5'' . . . . . . . . . rr_1ekd 1
. 1 . 278 . 2 1 1 G H8 H -9.180 7.601 -6.679 . . . 1.0 . . . . . . . . . . . . B . 1 G H8 . . . . . . . . . rr_1ekd 1
. 1 . 279 . 2 1 1 G HO2' H -7.354 7.162 -12.002 . . . 1.0 . . . . . . . . . . . . B . 1 G HO2' . . . . . . . . . rr_1ekd 1
. 1 . 280 . 2 1 1 G HO5' H -9.643 4.880 -8.056 . . . 1.0 . . . . . . . . . . . . B . 1 G HO5' . . . . . . . . . rr_1ekd 1
. 1 . 281 . 2 1 1 G N1 N -4.272 10.008 -6.249 . . . 1.0 . . . . . . . . . . . . B . 1 G N1 . . . . . . . . . rr_1ekd 1
. 1 . 282 . 2 1 1 G N2 N -3.438 10.692 -8.282 . . . 1.0 . . . . . . . . . . . . B . 1 G N2 . . . . . . . . . rr_1ekd 1
. 1 . 283 . 2 1 1 G N3 N -5.504 9.682 -8.278 . . . 1.0 . . . . . . . . . . . . B . 1 G N3 . . . . . . . . . rr_1ekd 1
. 1 . 284 . 2 1 1 G N7 N -7.502 8.290 -5.629 . . . 1.0 . . . . . . . . . . . . B . 1 G N7 . . . . . . . . . rr_1ekd 1
. 1 . 285 . 2 1 1 G N9 N -7.641 8.558 -7.857 . . . 1.0 . . . . . . . . . . . . B . 1 G N9 . . . . . . . . . rr_1ekd 1
. 1 . 286 . 2 1 1 G O2' O -7.479 7.947 -11.460 . . . 1.0 . . . . . . . . . . . . B . 1 G O2' . . . . . . . . . rr_1ekd 1
. 1 . 287 . 2 1 1 G O3' O -8.145 5.315 -10.896 . . . 1.0 . . . . . . . . . . . . B . 1 G O3' . . . . . . . . . rr_1ekd 1
. 1 . 288 . 2 1 1 G O4' O -9.554 8.158 -9.213 . . . 1.0 . . . . . . . . . . . . B . 1 G O4' . . . . . . . . . rr_1ekd 1
. 1 . 289 . 2 1 1 G O5' O -10.349 5.524 -7.931 . . . 1.0 . . . . . . . . . . . . B . 1 G O5' . . . . . . . . . rr_1ekd 1
. 1 . 290 . 2 1 1 G O6 O -4.965 9.388 -4.199 . . . 1.0 . . . . . . . . . . . . B . 1 G O6 . . . . . . . . . rr_1ekd 1
. 1 . 291 . 2 1 2 G C1' C -2.869 7.249 -9.898 . . . 1.0 . . . . . . . . . . . . B . 2 G C1' . . . . . . . . . rr_1ekd 1
. 1 . 292 . 2 1 2 G C2 C -0.530 8.404 -6.413 . . . 1.0 . . . . . . . . . . . . B . 2 G C2 . . . . . . . . . rr_1ekd 1
. 1 . 293 . 2 1 2 G C2' C -1.836 6.262 -10.438 . . . 1.0 . . . . . . . . . . . . B . 2 G C2' . . . . . . . . . rr_1ekd 1
. 1 . 294 . 2 1 2 G C3' C -2.716 5.165 -11.033 . . . 1.0 . . . . . . . . . . . . B . 2 G C3' . . . . . . . . . rr_1ekd 1
. 1 . 295 . 2 1 2 G C4 C -2.286 7.428 -7.439 . . . 1.0 . . . . . . . . . . . . B . 2 G C4 . . . . . . . . . rr_1ekd 1
. 1 . 296 . 2 1 2 G C4' C -3.844 6.024 -11.600 . . . 1.0 . . . . . . . . . . . . B . 2 G C4' . . . . . . . . . rr_1ekd 1
. 1 . 297 . 2 1 2 G C5 C -2.868 7.014 -6.261 . . . 1.0 . . . . . . . . . . . . B . 2 G C5 . . . . . . . . . rr_1ekd 1
. 1 . 298 . 2 1 2 G C5' C -5.135 5.253 -11.886 . . . 1.0 . . . . . . . . . . . . B . 2 G C5' . . . . . . . . . rr_1ekd 1
. 1 . 299 . 2 1 2 G C6 C -2.230 7.342 -5.015 . . . 1.0 . . . . . . . . . . . . B . 2 G C6 . . . . . . . . . rr_1ekd 1
. 1 . 300 . 2 1 2 G C8 C -4.136 6.336 -7.836 . . . 1.0 . . . . . . . . . . . . B . 2 G C8 . . . . . . . . . rr_1ekd 1
. 1 . 301 . 2 1 2 G H1 H -0.528 8.278 -4.351 . . . 1.0 . . . . . . . . . . . . B . 2 G H1 . . . . . . . . . rr_1ekd 1
. 1 . 302 . 2 1 2 G H1' H -2.491 8.265 -10.018 . . . 1.0 . . . . . . . . . . . . B . 2 G H1' . . . . . . . . . rr_1ekd 1
. 1 . 303 . 2 1 2 G H2' H -1.189 5.874 -9.654 . . . 1.0 . . . . . . . . . . . . B . 2 G H2' . . . . . . . . . rr_1ekd 1
. 1 . 304 . 2 1 2 G H21 H 1.135 9.206 -5.551 . . . 1.0 . . . . . . . . . . . . B . 2 G H21 . . . . . . . . . rr_1ekd 1
. 1 . 305 . 2 1 2 G H22 H 1.020 9.312 -7.308 . . . 1.0 . . . . . . . . . . . . B . 2 G H22 . . . . . . . . . rr_1ekd 1
. 1 . 306 . 2 1 2 G H3' H -3.106 4.521 -10.243 . . . 1.0 . . . . . . . . . . . . B . 2 G H3' . . . . . . . . . rr_1ekd 1
. 1 . 307 . 2 1 2 G H4' H -3.493 6.466 -12.534 . . . 1.0 . . . . . . . . . . . . B . 2 G H4' . . . . . . . . . rr_1ekd 1
. 1 . 308 . 2 1 2 G H5' H -5.840 5.923 -12.374 . . . 1.0 . . . . . . . . . . . . B . 2 G H5' . . . . . . . . . rr_1ekd 1
. 1 . 309 . 2 1 2 G H5'' H -4.916 4.424 -12.560 . . . 1.0 . . . . . . . . . . . . B . 2 G H5'' . . . . . . . . . rr_1ekd 1
. 1 . 310 . 2 1 2 G H8 H -4.947 5.872 -8.378 . . . 1.0 . . . . . . . . . . . . B . 2 G H8 . . . . . . . . . rr_1ekd 1
. 1 . 311 . 2 1 2 G HO2' H -0.690 6.221 -11.989 . . . 1.0 . . . . . . . . . . . . B . 2 G HO2' . . . . . . . . . rr_1ekd 1
. 1 . 312 . 2 1 2 G N1 N -1.040 8.040 -5.189 . . . 1.0 . . . . . . . . . . . . B . 2 G N1 . . . . . . . . . rr_1ekd 1
. 1 . 313 . 2 1 2 G N2 N 0.635 9.037 -6.420 . . . 1.0 . . . . . . . . . . . . B . 2 G N2 . . . . . . . . . rr_1ekd 1
. 1 . 314 . 2 1 2 G N3 N -1.124 8.128 -7.580 . . . 1.0 . . . . . . . . . . . . B . 2 G N3 . . . . . . . . . rr_1ekd 1
. 1 . 315 . 2 1 2 G N7 N -4.048 6.320 -6.534 . . . 1.0 . . . . . . . . . . . . B . 2 G N7 . . . . . . . . . rr_1ekd 1
. 1 . 316 . 2 1 2 G N9 N -3.109 7.004 -8.456 . . . 1.0 . . . . . . . . . . . . B . 2 G N9 . . . . . . . . . rr_1ekd 1
. 1 . 317 . 2 1 2 G O2' O -1.073 6.911 -11.439 . . . 1.0 . . . . . . . . . . . . B . 2 G O2' . . . . . . . . . rr_1ekd 1
. 1 . 318 . 2 1 2 G O3' O -2.040 4.420 -12.035 . . . 1.0 . . . . . . . . . . . . B . 2 G O3' . . . . . . . . . rr_1ekd 1
. 1 . 319 . 2 1 2 G O4' O -4.055 7.073 -10.663 . . . 1.0 . . . . . . . . . . . . B . 2 G O4' . . . . . . . . . rr_1ekd 1
. 1 . 320 . 2 1 2 G O5' O -5.709 4.750 -10.693 . . . 1.0 . . . . . . . . . . . . B . 2 G O5' . . . . . . . . . rr_1ekd 1
. 1 . 321 . 2 1 2 G O6 O -2.592 7.092 -3.868 . . . 1.0 . . . . . . . . . . . . B . 2 G O6 . . . . . . . . . rr_1ekd 1
. 1 . 322 . 2 1 2 G OP1 O -7.280 3.200 -11.900 . . . 1.0 . . . . . . . . . . . . B . 2 G OP1 . . . . . . . . . rr_1ekd 1
. 1 . 323 . 2 1 2 G OP2 O -7.429 3.493 -9.357 . . . 1.0 . . . . . . . . . . . . B . 2 G OP2 . . . . . . . . . rr_1ekd 1
. 1 . 324 . 2 1 2 G P P -7.164 4.055 -10.699 . . . 1.0 . . . . . . . . . . . . B . 2 G P . . . . . . . . . rr_1ekd 1
. 1 . 325 . 2 1 3 C C1' C 1.919 5.784 -8.185 . . . 1.0 . . . . . . . . . . . . B . 3 C C1' . . . . . . . . . rr_1ekd 1
. 1 . 326 . 2 1 3 C C2 C 1.265 5.621 -5.804 . . . 1.0 . . . . . . . . . . . . B . 3 C C2 . . . . . . . . . rr_1ekd 1
. 1 . 327 . 2 1 3 C C2' C 3.139 4.869 -8.270 . . . 1.0 . . . . . . . . . . . . B . 3 C C2' . . . . . . . . . rr_1ekd 1
. 1 . 328 . 2 1 3 C C3' C 2.753 3.930 -9.411 . . . 1.0 . . . . . . . . . . . . B . 3 C C3' . . . . . . . . . rr_1ekd 1
. 1 . 329 . 2 1 3 C C4 C -0.579 4.370 -5.094 . . . 1.0 . . . . . . . . . . . . B . 3 C C4 . . . . . . . . . rr_1ekd 1
. 1 . 330 . 2 1 3 C C4' C 2.068 4.933 -10.339 . . . 1.0 . . . . . . . . . . . . B . 3 C C4' . . . . . . . . . rr_1ekd 1
. 1 . 331 . 2 1 3 C C5 C -0.894 3.995 -6.441 . . . 1.0 . . . . . . . . . . . . B . 3 C C5 . . . . . . . . . rr_1ekd 1
. 1 . 332 . 2 1 3 C C5' C 1.164 4.304 -11.406 . . . 1.0 . . . . . . . . . . . . B . 3 C C5' . . . . . . . . . rr_1ekd 1
. 1 . 333 . 2 1 3 C C6 C -0.087 4.467 -7.424 . . . 1.0 . . . . . . . . . . . . B . 3 C C6 . . . . . . . . . rr_1ekd 1
. 1 . 334 . 2 1 3 C H1' H 2.248 6.789 -7.917 . . . 1.0 . . . . . . . . . . . . B . 3 C H1' . . . . . . . . . rr_1ekd 1
. 1 . 335 . 2 1 3 C H2' H 3.314 4.326 -7.342 . . . 1.0 . . . . . . . . . . . . B . 3 C H2' . . . . . . . . . rr_1ekd 1
. 1 . 336 . 2 1 3 C H3' H 2.027 3.191 -9.067 . . . 1.0 . . . . . . . . . . . . B . 3 C H3' . . . . . . . . . rr_1ekd 1
. 1 . 337 . 2 1 3 C H4' H 2.843 5.509 -10.844 . . . 1.0 . . . . . . . . . . . . B . 3 C H4' . . . . . . . . . rr_1ekd 1
. 1 . 338 . 2 1 3 C H41 H -1.044 4.238 -3.146 . . . 1.0 . . . . . . . . . . . . B . 3 C H41 . . . . . . . . . rr_1ekd 1
. 1 . 339 . 2 1 3 C H42 H -2.100 3.337 -4.231 . . . 1.0 . . . . . . . . . . . . B . 3 C H42 . . . . . . . . . rr_1ekd 1
. 1 . 340 . 2 1 3 C H5 H -1.727 3.356 -6.694 . . . 1.0 . . . . . . . . . . . . B . 3 C H5 . . . . . . . . . rr_1ekd 1
. 1 . 341 . 2 1 3 C H5' H 0.820 5.086 -12.080 . . . 1.0 . . . . . . . . . . . . B . 3 C H5' . . . . . . . . . rr_1ekd 1
. 1 . 342 . 2 1 3 C H5'' H 1.736 3.573 -11.980 . . . 1.0 . . . . . . . . . . . . B . 3 C H5'' . . . . . . . . . rr_1ekd 1
. 1 . 343 . 2 1 3 C H6 H -0.291 4.185 -8.445 . . . 1.0 . . . . . . . . . . . . B . 3 C H6 . . . . . . . . . rr_1ekd 1
. 1 . 344 . 2 1 3 C HO2' H 4.903 5.065 -9.025 . . . 1.0 . . . . . . . . . . . . B . 3 C HO2' . . . . . . . . . rr_1ekd 1
. 1 . 345 . 2 1 3 C N1 N 0.984 5.285 -7.133 . . . 1.0 . . . . . . . . . . . . B . 3 C N1 . . . . . . . . . rr_1ekd 1
. 1 . 346 . 2 1 3 C N3 N 0.461 5.156 -4.813 . . . 1.0 . . . . . . . . . . . . B . 3 C N3 . . . . . . . . . rr_1ekd 1
. 1 . 347 . 2 1 3 C N4 N -1.316 3.947 -4.078 . . . 1.0 . . . . . . . . . . . . B . 3 C N4 . . . . . . . . . rr_1ekd 1
. 1 . 348 . 2 1 3 C O2 O 2.229 6.326 -5.510 . . . 1.0 . . . . . . . . . . . . B . 3 C O2 . . . . . . . . . rr_1ekd 1
. 1 . 349 . 2 1 3 C O2' O 4.269 5.654 -8.605 . . . 1.0 . . . . . . . . . . . . B . 3 C O2' . . . . . . . . . rr_1ekd 1
. 1 . 350 . 2 1 3 C O3' O 3.892 3.311 -9.989 . . . 1.0 . . . . . . . . . . . . B . 3 C O3' . . . . . . . . . rr_1ekd 1
. 1 . 351 . 2 1 3 C O4' O 1.340 5.810 -9.486 . . . 1.0 . . . . . . . . . . . . B . 3 C O4' . . . . . . . . . rr_1ekd 1
. 1 . 352 . 2 1 3 C O5' O 0.051 3.668 -10.808 . . . 1.0 . . . . . . . . . . . . B . 3 C O5' . . . . . . . . . rr_1ekd 1
. 1 . 353 . 2 1 3 C OP1 O -0.643 2.561 -12.949 . . . 1.0 . . . . . . . . . . . . B . 3 C OP1 . . . . . . . . . rr_1ekd 1
. 1 . 354 . 2 1 3 C OP2 O -2.002 2.242 -10.802 . . . 1.0 . . . . . . . . . . . . B . 3 C OP2 . . . . . . . . . rr_1ekd 1
. 1 . 355 . 2 1 3 C P P -1.180 3.100 -11.680 . . . 1.0 . . . . . . . . . . . . B . 3 C P . . . . . . . . . rr_1ekd 1
. 1 . 356 . 2 1 4 G C1' C 5.012 3.666 -4.370 . . . 1.0 . . . . . . . . . . . . B . 4 G C1' . . . . . . . . . rr_1ekd 1
. 1 . 357 . 2 1 4 G C2 C 2.877 2.655 -0.702 . . . 1.0 . . . . . . . . . . . . B . 4 G C2 . . . . . . . . . rr_1ekd 1
. 1 . 358 . 2 1 4 G C2' C 6.173 2.757 -3.978 . . . 1.0 . . . . . . . . . . . . B . 4 G C2' . . . . . . . . . rr_1ekd 1
. 1 . 359 . 2 1 4 G C3' C 6.578 2.147 -5.317 . . . 1.0 . . . . . . . . . . . . B . 4 G C3' . . . . . . . . . rr_1ekd 1
. 1 . 360 . 2 1 4 G C4 C 3.134 2.733 -2.943 . . . 1.0 . . . . . . . . . . . . B . 4 G C4 . . . . . . . . . rr_1ekd 1
. 1 . 361 . 2 1 4 G C4' C 6.355 3.349 -6.232 . . . 1.0 . . . . . . . . . . . . B . 4 G C4' . . . . . . . . . rr_1ekd 1
. 1 . 362 . 2 1 4 G C5 C 1.909 2.155 -3.198 . . . 1.0 . . . . . . . . . . . . B . 4 G C5 . . . . . . . . . rr_1ekd 1
. 1 . 363 . 2 1 4 G C5' C 6.194 2.985 -7.711 . . . 1.0 . . . . . . . . . . . . B . 4 G C5' . . . . . . . . . rr_1ekd 1
. 1 . 364 . 2 1 4 G C6 C 1.058 1.810 -2.094 . . . 1.0 . . . . . . . . . . . . B . 4 G C6 . . . . . . . . . rr_1ekd 1
. 1 . 365 . 2 1 4 G C8 C 2.836 2.471 -5.091 . . . 1.0 . . . . . . . . . . . . B . 4 G C8 . . . . . . . . . rr_1ekd 1
. 1 . 366 . 2 1 4 G H1 H 1.098 1.881 -0.032 . . . 1.0 . . . . . . . . . . . . B . 4 G H1 . . . . . . . . . rr_1ekd 1
. 1 . 367 . 2 1 4 G H1' H 5.030 4.556 -3.744 . . . 1.0 . . . . . . . . . . . . B . 4 G H1' . . . . . . . . . rr_1ekd 1
. 1 . 368 . 2 1 4 G H2' H 5.876 1.992 -3.263 . . . 1.0 . . . . . . . . . . . . B . 4 G H2' . . . . . . . . . rr_1ekd 1
. 1 . 369 . 2 1 4 G H21 H 2.681 2.582 1.314 . . . 1.0 . . . . . . . . . . . . B . 4 G H21 . . . . . . . . . rr_1ekd 1
. 1 . 370 . 2 1 4 G H22 H 4.202 3.237 0.697 . . . 1.0 . . . . . . . . . . . . B . 4 G H22 . . . . . . . . . rr_1ekd 1
. 1 . 371 . 2 1 4 G H3' H 5.898 1.338 -5.591 . . . 1.0 . . . . . . . . . . . . B . 4 G H3' . . . . . . . . . rr_1ekd 1
. 1 . 372 . 2 1 4 G H4' H 7.215 4.011 -6.131 . . . 1.0 . . . . . . . . . . . . B . 4 G H4' . . . . . . . . . rr_1ekd 1
. 1 . 373 . 2 1 4 G H5' H 6.192 3.901 -8.298 . . . 1.0 . . . . . . . . . . . . B . 4 G H5' . . . . . . . . . rr_1ekd 1
. 1 . 374 . 2 1 4 G H5'' H 7.038 2.369 -8.025 . . . 1.0 . . . . . . . . . . . . B . 4 G H5'' . . . . . . . . . rr_1ekd 1
. 1 . 375 . 2 1 4 G H8 H 3.029 2.481 -6.154 . . . 1.0 . . . . . . . . . . . . B . 4 G H8 . . . . . . . . . rr_1ekd 1
. 1 . 376 . 2 1 4 G HO2' H 8.040 3.107 -3.644 . . . 1.0 . . . . . . . . . . . . B . 4 G HO2' . . . . . . . . . rr_1ekd 1
. 1 . 377 . 2 1 4 G N1 N 1.629 2.104 -0.860 . . . 1.0 . . . . . . . . . . . . B . 4 G N1 . . . . . . . . . rr_1ekd 1
. 1 . 378 . 2 1 4 G N2 N 3.295 2.826 0.545 . . . 1.0 . . . . . . . . . . . . B . 4 G N2 . . . . . . . . . rr_1ekd 1
. 1 . 379 . 2 1 4 G N3 N 3.673 3.007 -1.719 . . . 1.0 . . . . . . . . . . . . B . 4 G N3 . . . . . . . . . rr_1ekd 1
. 1 . 380 . 2 1 4 G N7 N 1.742 1.984 -4.572 . . . 1.0 . . . . . . . . . . . . B . 4 G N7 . . . . . . . . . rr_1ekd 1
. 1 . 381 . 2 1 4 G N9 N 3.714 2.979 -4.166 . . . 1.0 . . . . . . . . . . . . B . 4 G N9 . . . . . . . . . rr_1ekd 1
. 1 . 382 . 2 1 4 G O2' O 7.213 3.560 -3.447 . . . 1.0 . . . . . . . . . . . . B . 4 G O2' . . . . . . . . . rr_1ekd 1
. 1 . 383 . 2 1 4 G O3' O 7.932 1.721 -5.292 . . . 1.0 . . . . . . . . . . . . B . 4 G O3' . . . . . . . . . rr_1ekd 1
. 1 . 384 . 2 1 4 G O4' O 5.210 4.028 -5.731 . . . 1.0 . . . . . . . . . . . . B . 4 G O4' . . . . . . . . . rr_1ekd 1
. 1 . 385 . 2 1 4 G O5' O 4.985 2.281 -7.932 . . . 1.0 . . . . . . . . . . . . B . 4 G O5' . . . . . . . . . rr_1ekd 1
. 1 . 386 . 2 1 4 G O6 O -0.055 1.291 -2.106 . . . 1.0 . . . . . . . . . . . . B . 4 G O6 . . . . . . . . . rr_1ekd 1
. 1 . 387 . 2 1 4 G OP1 O 5.657 1.562 -10.240 . . . 1.0 . . . . . . . . . . . . B . 4 G OP1 . . . . . . . . . rr_1ekd 1
. 1 . 388 . 2 1 4 G OP2 O 3.354 0.965 -9.298 . . . 1.0 . . . . . . . . . . . . B . 4 G OP2 . . . . . . . . . rr_1ekd 1
. 1 . 389 . 2 1 4 G P P 4.478 1.916 -9.421 . . . 1.0 . . . . . . . . . . . . B . 4 G P . . . . . . . . . rr_1ekd 1
. 1 . 390 . 2 1 5 U C1' C 5.291 -0.084 -0.449 . . . 1.0 . . . . . . . . . . . . B . 5 U C1' . . . . . . . . . rr_1ekd 1
. 1 . 391 . 2 1 5 U C2 C 2.969 -0.885 -0.776 . . . 1.0 . . . . . . . . . . . . B . 5 U C2 . . . . . . . . . rr_1ekd 1
. 1 . 392 . 2 1 5 U C2' C 6.067 -1.284 0.093 . . . 1.0 . . . . . . . . . . . . B . 5 U C2' . . . . . . . . . rr_1ekd 1
. 1 . 393 . 2 1 5 U C3' C 7.318 -1.290 -0.777 . . . 1.0 . . . . . . . . . . . . B . 5 U C3' . . . . . . . . . rr_1ekd 1
. 1 . 394 . 2 1 5 U C4 C 2.098 -1.485 -3.005 . . . 1.0 . . . . . . . . . . . . B . 5 U C4 . . . . . . . . . rr_1ekd 1
. 1 . 395 . 2 1 5 U C4' C 7.529 0.200 -1.026 . . . 1.0 . . . . . . . . . . . . B . 5 U C4' . . . . . . . . . rr_1ekd 1
. 1 . 396 . 2 1 5 U C5 C 3.385 -1.078 -3.534 . . . 1.0 . . . . . . . . . . . . B . 5 U C5 . . . . . . . . . rr_1ekd 1
. 1 . 397 . 2 1 5 U C5' C 8.370 0.500 -2.273 . . . 1.0 . . . . . . . . . . . . B . 5 U C5' . . . . . . . . . rr_1ekd 1
. 1 . 398 . 2 1 5 U C6 C 4.374 -0.627 -2.722 . . . 1.0 . . . . . . . . . . . . B . 5 U C6 . . . . . . . . . rr_1ekd 1
. 1 . 399 . 2 1 5 U H1' H 4.854 0.442 0.399 . . . 1.0 . . . . . . . . . . . . B . 5 U H1' . . . . . . . . . rr_1ekd 1
. 1 . 400 . 2 1 5 U H2' H 5.510 -2.213 -0.029 . . . 1.0 . . . . . . . . . . . . B . 5 U H2' . . . . . . . . . rr_1ekd 1
. 1 . 401 . 2 1 5 U H3 H 1.090 -1.604 -1.233 . . . 1.0 . . . . . . . . . . . . B . 5 U H3 . . . . . . . . . rr_1ekd 1
. 1 . 402 . 2 1 5 U H3' H 7.093 -1.779 -1.726 . . . 1.0 . . . . . . . . . . . . B . 5 U H3' . . . . . . . . . rr_1ekd 1
. 1 . 403 . 2 1 5 U H4' H 8.032 0.619 -0.154 . . . 1.0 . . . . . . . . . . . . B . 5 U H4' . . . . . . . . . rr_1ekd 1
. 1 . 404 . 2 1 5 U H5 H 3.550 -1.144 -4.599 . . . 1.0 . . . . . . . . . . . . B . 5 U H5 . . . . . . . . . rr_1ekd 1
. 1 . 405 . 2 1 5 U H5' H 8.506 1.577 -2.360 . . . 1.0 . . . . . . . . . . . . B . 5 U H5' . . . . . . . . . rr_1ekd 1
. 1 . 406 . 2 1 5 U H5'' H 9.348 0.029 -2.165 . . . 1.0 . . . . . . . . . . . . B . 5 U H5'' . . . . . . . . . rr_1ekd 1
. 1 . 407 . 2 1 5 U H6 H 5.319 -0.343 -3.162 . . . 1.0 . . . . . . . . . . . . B . 5 U H6 . . . . . . . . . rr_1ekd 1
. 1 . 408 . 2 1 5 U HO2' H 7.004 -1.715 1.743 . . . 1.0 . . . . . . . . . . . . B . 5 U HO2' . . . . . . . . . rr_1ekd 1
. 1 . 409 . 2 1 5 U N1 N 4.193 -0.528 -1.358 . . . 1.0 . . . . . . . . . . . . B . 5 U N1 . . . . . . . . . rr_1ekd 1
. 1 . 410 . 2 1 5 U N3 N 1.981 -1.353 -1.631 . . . 1.0 . . . . . . . . . . . . B . 5 U N3 . . . . . . . . . rr_1ekd 1
. 1 . 411 . 2 1 5 U O2 O 2.744 -0.788 0.429 . . . 1.0 . . . . . . . . . . . . B . 5 U O2 . . . . . . . . . rr_1ekd 1
. 1 . 412 . 2 1 5 U O2' O 6.371 -1.045 1.457 . . . 1.0 . . . . . . . . . . . . B . 5 U O2' . . . . . . . . . rr_1ekd 1
. 1 . 413 . 2 1 5 U O3' O 8.443 -1.892 -0.157 . . . 1.0 . . . . . . . . . . . . B . 5 U O3' . . . . . . . . . rr_1ekd 1
. 1 . 414 . 2 1 5 U O4 O 1.160 -1.922 -3.662 . . . 1.0 . . . . . . . . . . . . B . 5 U O4 . . . . . . . . . rr_1ekd 1
. 1 . 415 . 2 1 5 U O4' O 6.228 0.770 -1.102 . . . 1.0 . . . . . . . . . . . . B . 5 U O4' . . . . . . . . . rr_1ekd 1
. 1 . 416 . 2 1 5 U O5' O 7.732 -0.003 -3.433 . . . 1.0 . . . . . . . . . . . . B . 5 U O5' . . . . . . . . . rr_1ekd 1
. 1 . 417 . 2 1 5 U OP1 O 9.811 0.142 -4.831 . . . 1.0 . . . . . . . . . . . . B . 5 U OP1 . . . . . . . . . rr_1ekd 1
. 1 . 418 . 2 1 5 U OP2 O 7.608 -0.698 -5.829 . . . 1.0 . . . . . . . . . . . . B . 5 U OP2 . . . . . . . . . rr_1ekd 1
. 1 . 419 . 2 1 5 U P P 8.336 0.206 -4.914 . . . 1.0 . . . . . . . . . . . . B . 5 U P . . . . . . . . . rr_1ekd 1
. 1 . 420 . 2 1 6 G C1' C 5.736 -3.574 4.480 . . . 1.0 . . . . . . . . . . . . B . 6 G C1' . . . . . . . . . rr_1ekd 1
. 1 . 421 . 2 1 6 G C2 C 1.636 -4.930 5.105 . . . 1.0 . . . . . . . . . . . . B . 6 G C2 . . . . . . . . . rr_1ekd 1
. 1 . 422 . 2 1 6 G C2' C 6.349 -4.854 5.042 . . . 1.0 . . . . . . . . . . . . B . 6 G C2' . . . . . . . . . rr_1ekd 1
. 1 . 423 . 2 1 6 G C3' C 7.510 -5.098 4.081 . . . 1.0 . . . . . . . . . . . . B . 6 G C3' . . . . . . . . . rr_1ekd 1
. 1 . 424 . 2 1 6 G C4 C 3.392 -4.305 3.839 . . . 1.0 . . . . . . . . . . . . B . 6 G C4 . . . . . . . . . rr_1ekd 1
. 1 . 425 . 2 1 6 G C4' C 7.966 -3.656 3.854 . . . 1.0 . . . . . . . . . . . . B . 6 G C4' . . . . . . . . . rr_1ekd 1
. 1 . 426 . 2 1 6 G C5 C 2.696 -4.408 2.654 . . . 1.0 . . . . . . . . . . . . B . 6 G C5 . . . . . . . . . rr_1ekd 1
. 1 . 427 . 2 1 6 G C5' C 8.783 -3.440 2.577 . . . 1.0 . . . . . . . . . . . . B . 6 G C5' . . . . . . . . . rr_1ekd 1
. 1 . 428 . 2 1 6 G C6 C 1.313 -4.784 2.687 . . . 1.0 . . . . . . . . . . . . B . 6 G C6 . . . . . . . . . rr_1ekd 1
. 1 . 429 . 2 1 6 G C8 C 4.668 -3.817 2.141 . . . 1.0 . . . . . . . . . . . . B . 6 G C8 . . . . . . . . . rr_1ekd 1
. 1 . 430 . 2 1 6 G H1 H -0.104 -5.337 4.062 . . . 1.0 . . . . . . . . . . . . B . 6 G H1 . . . . . . . . . rr_1ekd 1
. 1 . 431 . 2 1 6 G H1' H 5.310 -2.990 5.296 . . . 1.0 . . . . . . . . . . . . B . 6 G H1' . . . . . . . . . rr_1ekd 1
. 1 . 432 . 2 1 6 G H2' H 5.644 -5.684 5.043 . . . 1.0 . . . . . . . . . . . . B . 6 G H2' . . . . . . . . . rr_1ekd 1
. 1 . 433 . 2 1 6 G H21 H 0.115 -5.596 6.281 . . . 1.0 . . . . . . . . . . . . B . 6 G H21 . . . . . . . . . rr_1ekd 1
. 1 . 434 . 2 1 6 G H22 H 1.627 -5.185 7.099 . . . 1.0 . . . . . . . . . . . . B . 6 G H22 . . . . . . . . . rr_1ekd 1
. 1 . 435 . 2 1 6 G H3' H 7.143 -5.521 3.144 . . . 1.0 . . . . . . . . . . . . B . 6 G H3' . . . . . . . . . rr_1ekd 1
. 1 . 436 . 2 1 6 G H4' H 8.577 -3.358 4.707 . . . 1.0 . . . . . . . . . . . . B . 6 G H4' . . . . . . . . . rr_1ekd 1
. 1 . 437 . 2 1 6 G H5' H 9.094 -2.395 2.530 . . . 1.0 . . . . . . . . . . . . B . 6 G H5' . . . . . . . . . rr_1ekd 1
. 1 . 438 . 2 1 6 G H5'' H 9.672 -4.071 2.610 . . . 1.0 . . . . . . . . . . . . B . 6 G H5'' . . . . . . . . . rr_1ekd 1
. 1 . 439 . 2 1 6 G H8 H 5.541 -3.533 1.579 . . . 1.0 . . . . . . . . . . . . B . 6 G H8 . . . . . . . . . rr_1ekd 1
. 1 . 440 . 2 1 6 G HO2' H 7.538 -5.203 6.520 . . . 1.0 . . . . . . . . . . . . B . 6 G HO2' . . . . . . . . . rr_1ekd 1
. 1 . 441 . 2 1 6 G N1 N 0.860 -5.044 3.976 . . . 1.0 . . . . . . . . . . . . B . 6 G N1 . . . . . . . . . rr_1ekd 1
. 1 . 442 . 2 1 6 G N2 N 1.074 -5.256 6.261 . . . 1.0 . . . . . . . . . . . . B . 6 G N2 . . . . . . . . . rr_1ekd 1
. 1 . 443 . 2 1 6 G N3 N 2.919 -4.549 5.095 . . . 1.0 . . . . . . . . . . . . B . 6 G N3 . . . . . . . . . rr_1ekd 1
. 1 . 444 . 2 1 6 G N7 N 3.526 -4.098 1.579 . . . 1.0 . . . . . . . . . . . . B . 6 G N7 . . . . . . . . . rr_1ekd 1
. 1 . 445 . 2 1 6 G N9 N 4.660 -3.892 3.511 . . . 1.0 . . . . . . . . . . . . B . 6 G N9 . . . . . . . . . rr_1ekd 1
. 1 . 446 . 2 1 6 G O2' O 6.813 -4.592 6.354 . . . 1.0 . . . . . . . . . . . . B . 6 G O2' . . . . . . . . . rr_1ekd 1
. 1 . 447 . 2 1 6 G O3' O 8.514 -5.913 4.667 . . . 1.0 . . . . . . . . . . . . B . 6 G O3' . . . . . . . . . rr_1ekd 1
. 1 . 448 . 2 1 6 G O4' O 6.791 -2.854 3.853 . . . 1.0 . . . . . . . . . . . . B . 6 G O4' . . . . . . . . . rr_1ekd 1
. 1 . 449 . 2 1 6 G O5' O 8.024 -3.756 1.423 . . . 1.0 . . . . . . . . . . . . B . 6 G O5' . . . . . . . . . rr_1ekd 1
. 1 . 450 . 2 1 6 G O6 O 0.524 -4.894 1.752 . . . 1.0 . . . . . . . . . . . . B . 6 G O6 . . . . . . . . . rr_1ekd 1
. 1 . 451 . 2 1 6 G OP1 O 10.053 -3.813 -0.059 . . . 1.0 . . . . . . . . . . . . B . 6 G OP1 . . . . . . . . . rr_1ekd 1
. 1 . 452 . 2 1 6 G OP2 O 7.698 -4.134 -1.029 . . . 1.0 . . . . . . . . . . . . B . 6 G OP2 . . . . . . . . . rr_1ekd 1
. 1 . 453 . 2 1 6 G P P 8.609 -3.493 -0.056 . . . 1.0 . . . . . . . . . . . . B . 6 G P . . . . . . . . . rr_1ekd 1
. 1 . 454 . 2 1 7 C C1' C 3.506 -8.101 6.599 . . . 1.0 . . . . . . . . . . . . B . 7 C C1' . . . . . . . . . rr_1ekd 1
. 1 . 455 . 2 1 7 C C2 C 1.692 -8.379 4.925 . . . 1.0 . . . . . . . . . . . . B . 7 C C2 . . . . . . . . . rr_1ekd 1
. 1 . 456 . 2 1 7 C C2' C 3.736 -9.516 7.130 . . . 1.0 . . . . . . . . . . . . B . 7 C C2' . . . . . . . . . rr_1ekd 1
. 1 . 457 . 2 1 7 C C3' C 5.243 -9.690 6.955 . . . 1.0 . . . . . . . . . . . . B . 7 C C3' . . . . . . . . . rr_1ekd 1
. 1 . 458 . 2 1 7 C C4 C 2.049 -8.026 2.640 . . . 1.0 . . . . . . . . . . . . B . 7 C C4 . . . . . . . . . rr_1ekd 1
. 1 . 459 . 2 1 7 C C4' C 5.711 -8.280 7.308 . . . 1.0 . . . . . . . . . . . . B . 7 C C4' . . . . . . . . . rr_1ekd 1
. 1 . 460 . 2 1 7 C C5 C 3.449 -7.805 2.850 . . . 1.0 . . . . . . . . . . . . B . 7 C C5 . . . . . . . . . rr_1ekd 1
. 1 . 461 . 2 1 7 C C5' C 7.122 -7.955 6.803 . . . 1.0 . . . . . . . . . . . . B . 7 C C5' . . . . . . . . . rr_1ekd 1
. 1 . 462 . 2 1 7 C C6 C 3.904 -7.868 4.126 . . . 1.0 . . . . . . . . . . . . B . 7 C C6 . . . . . . . . . rr_1ekd 1
. 1 . 463 . 2 1 7 C H1' H 2.732 -7.624 7.203 . . . 1.0 . . . . . . . . . . . . B . 7 C H1' . . . . . . . . . rr_1ekd 1
. 1 . 464 . 2 1 7 C H2' H 3.176 -10.266 6.574 . . . 1.0 . . . . . . . . . . . . B . 7 C H2' . . . . . . . . . rr_1ekd 1
. 1 . 465 . 2 1 7 C H3' H 5.479 -9.904 5.911 . . . 1.0 . . . . . . . . . . . . B . 7 C H3' . . . . . . . . . rr_1ekd 1
. 1 . 466 . 2 1 7 C H4' H 5.702 -8.182 8.394 . . . 1.0 . . . . . . . . . . . . B . 7 C H4' . . . . . . . . . rr_1ekd 1
. 1 . 467 . 2 1 7 C H41 H 0.527 -8.063 1.320 . . . 1.0 . . . . . . . . . . . . B . 7 C H41 . . . . . . . . . rr_1ekd 1
. 1 . 468 . 2 1 7 C H42 H 2.101 -7.655 0.645 . . . 1.0 . . . . . . . . . . . . B . 7 C H42 . . . . . . . . . rr_1ekd 1
. 1 . 469 . 2 1 7 C H5 H 4.138 -7.583 2.049 . . . 1.0 . . . . . . . . . . . . B . 7 C H5 . . . . . . . . . rr_1ekd 1
. 1 . 470 . 2 1 7 C H5' H 7.422 -6.982 7.189 . . . 1.0 . . . . . . . . . . . . B . 7 C H5' . . . . . . . . . rr_1ekd 1
. 1 . 471 . 2 1 7 C H5'' H 7.818 -8.708 7.174 . . . 1.0 . . . . . . . . . . . . B . 7 C H5'' . . . . . . . . . rr_1ekd 1
. 1 . 472 . 2 1 7 C H6 H 4.954 -7.701 4.312 . . . 1.0 . . . . . . . . . . . . B . 7 C H6 . . . . . . . . . rr_1ekd 1
. 1 . 473 . 2 1 7 C HO2' H 3.894 -10.245 8.909 . . . 1.0 . . . . . . . . . . . . B . 7 C HO2' . . . . . . . . . rr_1ekd 1
. 1 . 474 . 2 1 7 C N1 N 3.048 -8.124 5.176 . . . 1.0 . . . . . . . . . . . . B . 7 C N1 . . . . . . . . . rr_1ekd 1
. 1 . 475 . 2 1 7 C N3 N 1.225 -8.312 3.648 . . . 1.0 . . . . . . . . . . . . B . 7 C N3 . . . . . . . . . rr_1ekd 1
. 1 . 476 . 2 1 7 C N4 N 1.530 -7.940 1.423 . . . 1.0 . . . . . . . . . . . . B . 7 C N4 . . . . . . . . . rr_1ekd 1
. 1 . 477 . 2 1 7 C O2 O 0.915 -8.664 5.834 . . . 1.0 . . . . . . . . . . . . B . 7 C O2 . . . . . . . . . rr_1ekd 1
. 1 . 478 . 2 1 7 C O2' O 3.376 -9.546 8.499 . . . 1.0 . . . . . . . . . . . . B . 7 C O2' . . . . . . . . . rr_1ekd 1
. 1 . 479 . 2 1 7 C O3' O 5.778 -10.677 7.825 . . . 1.0 . . . . . . . . . . . . B . 7 C O3' . . . . . . . . . rr_1ekd 1
. 1 . 480 . 2 1 7 C O4' O 4.733 -7.396 6.772 . . . 1.0 . . . . . . . . . . . . B . 7 C O4' . . . . . . . . . rr_1ekd 1
. 1 . 481 . 2 1 7 C O5' O 7.152 -7.941 5.388 . . . 1.0 . . . . . . . . . . . . B . 7 C O5' . . . . . . . . . rr_1ekd 1
. 1 . 482 . 2 1 7 C OP1 O 9.654 -8.053 5.276 . . . 1.0 . . . . . . . . . . . . B . 7 C OP1 . . . . . . . . . rr_1ekd 1
. 1 . 483 . 2 1 7 C OP2 O 8.246 -7.884 3.145 . . . 1.0 . . . . . . . . . . . . B . 7 C OP2 . . . . . . . . . rr_1ekd 1
. 1 . 484 . 2 1 7 C P P 8.472 -7.525 4.561 . . . 1.0 . . . . . . . . . . . . B . 7 C P . . . . . . . . . rr_1ekd 1
. 1 . 485 . 2 1 8 C C1' C 0.460 -12.824 6.714 . . . 1.0 . . . . . . . . . . . . B . 8 C C1' . . . . . . . . . rr_1ekd 1
. 1 . 486 . 2 1 8 C C2 C -0.447 -12.264 4.470 . . . 1.0 . . . . . . . . . . . . B . 8 C C2 . . . . . . . . . rr_1ekd 1
. 1 . 487 . 2 1 8 C C2' C 0.587 -14.350 6.783 . . . 1.0 . . . . . . . . . . . . B . 8 C C2' . . . . . . . . . rr_1ekd 1
. 1 . 488 . 2 1 8 C C3' C 2.015 -14.527 7.290 . . . 1.0 . . . . . . . . . . . . B . 8 C C3' . . . . . . . . . rr_1ekd 1
. 1 . 489 . 2 1 8 C C4 C 0.933 -11.533 2.727 . . . 1.0 . . . . . . . . . . . . B . 8 C C4 . . . . . . . . . rr_1ekd 1
. 1 . 490 . 2 1 8 C C4' C 2.119 -13.338 8.247 . . . 1.0 . . . . . . . . . . . . B . 8 C C4' . . . . . . . . . rr_1ekd 1
. 1 . 491 . 2 1 8 C C5 C 2.100 -11.623 3.554 . . . 1.0 . . . . . . . . . . . . B . 8 C C5 . . . . . . . . . rr_1ekd 1
. 1 . 492 . 2 1 8 C C5' C 3.561 -12.950 8.588 . . . 1.0 . . . . . . . . . . . . B . 8 C C5' . . . . . . . . . rr_1ekd 1
. 1 . 493 . 2 1 8 C C6 C 1.921 -12.037 4.833 . . . 1.0 . . . . . . . . . . . . B . 8 C C6 . . . . . . . . . rr_1ekd 1
. 1 . 494 . 2 1 8 C H1' H -0.539 -12.537 7.049 . . . 1.0 . . . . . . . . . . . . B . 8 C H1' . . . . . . . . . rr_1ekd 1
. 1 . 495 . 2 1 8 C H2' H 0.451 -14.822 5.809 . . . 1.0 . . . . . . . . . . . . B . 8 C H2' . . . . . . . . . rr_1ekd 1
. 1 . 496 . 2 1 8 C H3' H 2.707 -14.404 6.456 . . . 1.0 . . . . . . . . . . . . B . 8 C H3' . . . . . . . . . rr_1ekd 1
. 1 . 497 . 2 1 8 C H4' H 1.590 -13.584 9.169 . . . 1.0 . . . . . . . . . . . . B . 8 C H4' . . . . . . . . . rr_1ekd 1
. 1 . 498 . 2 1 8 C H41 H 0.180 -11.108 0.909 . . . 1.0 . . . . . . . . . . . . B . 8 C H41 . . . . . . . . . rr_1ekd 1
. 1 . 499 . 2 1 8 C H42 H 1.915 -10.861 1.083 . . . 1.0 . . . . . . . . . . . . B . 8 C H42 . . . . . . . . . rr_1ekd 1
. 1 . 500 . 2 1 8 C H5 H 3.092 -11.385 3.202 . . . 1.0 . . . . . . . . . . . . B . 8 C H5 . . . . . . . . . rr_1ekd 1
. 1 . 501 . 2 1 8 C H5' H 3.556 -12.076 9.237 . . . 1.0 . . . . . . . . . . . . B . 8 C H5' . . . . . . . . . rr_1ekd 1
. 1 . 502 . 2 1 8 C H5'' H 4.038 -13.776 9.116 . . . 1.0 . . . . . . . . . . . . B . 8 C H5'' . . . . . . . . . rr_1ekd 1
. 1 . 503 . 2 1 8 C H6 H 2.783 -12.131 5.477 . . . 1.0 . . . . . . . . . . . . B . 8 C H6 . . . . . . . . . rr_1ekd 1
. 1 . 504 . 2 1 8 C HO2' H 0.008 -15.685 8.049 . . . 1.0 . . . . . . . . . . . . B . 8 C HO2' . . . . . . . . . rr_1ekd 1
. 1 . 505 . 2 1 8 C HO3' H 3.152 -15.863 8.132 . . . 1.0 . . . . . . . . . . . . B . 8 C HO3' . . . . . . . . . rr_1ekd 1
. 1 . 506 . 2 1 8 C N1 N 0.667 -12.340 5.317 . . . 1.0 . . . . . . . . . . . . B . 8 C N1 . . . . . . . . . rr_1ekd 1
. 1 . 507 . 2 1 8 C N3 N -0.278 -11.856 3.184 . . . 1.0 . . . . . . . . . . . . B . 8 C N3 . . . . . . . . . rr_1ekd 1
. 1 . 508 . 2 1 8 C N4 N 1.030 -11.148 1.463 . . . 1.0 . . . . . . . . . . . . B . 8 C N4 . . . . . . . . . rr_1ekd 1
. 1 . 509 . 2 1 8 C O2 O -1.572 -12.576 4.858 . . . 1.0 . . . . . . . . . . . . B . 8 C O2 . . . . . . . . . rr_1ekd 1
. 1 . 510 . 2 1 8 C O2' O -0.352 -14.857 7.714 . . . 1.0 . . . . . . . . . . . . B . 8 C O2' . . . . . . . . . rr_1ekd 1
. 1 . 511 . 2 1 8 C O3' O 2.219 -15.783 7.915 . . . 1.0 . . . . . . . . . . . . B . 8 C O3' . . . . . . . . . rr_1ekd 1
. 1 . 512 . 2 1 8 C O4' O 1.426 -12.276 7.606 . . . 1.0 . . . . . . . . . . . . B . 8 C O4' . . . . . . . . . rr_1ekd 1
. 1 . 513 . 2 1 8 C O5' O 4.278 -12.674 7.400 . . . 1.0 . . . . . . . . . . . . B . 8 C O5' . . . . . . . . . rr_1ekd 1
. 1 . 514 . 2 1 8 C OP1 O 6.499 -12.979 8.503 . . . 1.0 . . . . . . . . . . . . B . 8 C OP1 . . . . . . . . . rr_1ekd 1
. 1 . 515 . 2 1 8 C OP2 O 6.331 -12.342 6.030 . . . 1.0 . . . . . . . . . . . . B . 8 C OP2 . . . . . . . . . rr_1ekd 1
. 1 . 516 . 2 1 8 C P P 5.827 -12.237 7.415 . . . 1.0 . . . . . . . . . . . . B . 8 C P . . . . . . . . . rr_1ekd 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_1ekd
_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 1ekd.mr . . "MR format" 1 comment "Not applicable" "Not applicable" 0 rr_1ekd 1
1 1ekd.mr . . DISCOVER 2 distance NOE simple 172 rr_1ekd 1
1 1ekd.mr . . DISCOVER 3 distance "hydrogen bond" simple 20 rr_1ekd 1
1 1ekd.mr . . DISCOVER 4 "dihedral angle" "Not applicable" "Not applicable" 100 rr_1ekd 1
1 1ekd.mr . . "MR format" 5 "nomenclature mapping" "Not applicable" "Not applicable" 0 rr_1ekd 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_1ekd
_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: '1ekd'" . . . . distance "general distance" . 86 rr_1ekd 1
2 "From CCPN project: '1ekd'" . . . . distance "hydrogen bond" . 0 rr_1ekd 1
3 "From CCPN project: '1ekd'" . . . . "dihedral angle" "Not applicable" . 50 rr_1ekd 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 1ekd.mr . . "MR format" 1 comment "Not applicable" "Not applicable" 0 rr_1ekd 1
1 1ekd.mr . . DISCOVER 2 distance NOE simple 172 rr_1ekd 1
1 1ekd.mr . . DISCOVER 3 distance "hydrogen bond" simple 20 rr_1ekd 1
1 1ekd.mr . . DISCOVER 4 "dihedral angle" "Not applicable" "Not applicable" 100 rr_1ekd 1
1 1ekd.mr . . "MR format" 5 "nomenclature mapping" "Not applicable" "Not applicable" 0 rr_1ekd 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_1ekd
_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_1ekd 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 . . . . . . 2.245 4.169 . . . . . A . 1 G H1' . . A . 1 G H8 . 1 . 1 G5' H1' . . . 1 . 1 G5' H8 . . rr_1ekd 1
2 1 . . 1 1 2 2 G H1' H . . . 1 1 2 2 G H8 H . . . . . . 2.372 4.406 . . . . . A . 2 G H1' . . A . 2 G H8 . 1 . 2 G H1' . . . 1 . 2 G H8 . . rr_1ekd 1
3 1 . . 1 1 3 3 C H1' H . . . 1 1 3 3 C H6 H . . . . . . 2.401 4.458 . . . . . A . 3 C H1' . . A . 3 C H6 . 1 . 3 C H1' . . . 1 . 3 C H6 . . rr_1ekd 1
4 1 . . 1 1 3 3 C H1' H . . . 1 1 4 4 G H8 H . . . . . . 2.663 4.946 . . . . . A . 3 C H1' . . A . 4 G H8 . 1 . 3 C H1' . . . 1 . 4 G H8 . . rr_1ekd 1
5 1 . . 1 1 4 4 G H8 H . . . 1 1 4 4 G H1' H . . . . . . 2.328 4.323 . . . . . A . 4 G H1' . . A . 4 G H8 . 1 . 4 G H1' . . . 1 . 4 G H8 . . rr_1ekd 1
6 1 . . 1 1 4 4 G H1' H . . . 1 1 5 5 U H6 H . . . . . . 2.658 4.936 . . . . . A . 4 G H1' . . A . 5 U H6 . 1 . 4 G H1' . . . 1 . 5 U H6 . . rr_1ekd 1
7 1 . . 1 1 5 5 U H6 H . . . 1 1 5 5 U H1' H . . . . . . 2.188 4.063 . . . . . A . 5 U H1' . . A . 5 U H6 . 1 . 5 U H1' . . . 1 . 5 U H6 . . rr_1ekd 1
8 1 . . 1 1 5 5 U H1' H . . . 1 1 6 6 G H8 H . . . . . . 2.238 4.156 . . . . . A . 5 U H1' . . A . 6 G H8 . 1 . 5 U H1' . . . 1 . 6 G H8 . . rr_1ekd 1
9 1 . . 1 1 6 6 G H8 H . . . 1 1 6 6 G H1' H . . . . . . 2.313 4.296 . . . . . A . 6 G H1' . . A . 6 G H8 . 1 . 6 G H1' . . . 1 . 6 G H8 . . rr_1ekd 1
10 1 . . 1 1 8 8 C H1' H . . . 1 1 8 8 C H6 H . . . . . . 2.295 4.262 . . . . . A . 8 C H1' . . A . 8 C H6 . 1 . 8 C3' H1' . . . 1 . 8 C3' H6 . . rr_1ekd 1
11 1 . . 1 1 5 5 U H6 H . . . 1 1 5 5 U H5 H . . . . . . 1.780 3.305 . . . . . A . 5 U H5 . . A . 5 U H6 . 1 . 5 U H5 . . . 1 . 5 U H6 . . rr_1ekd 1
12 1 . . 1 1 3 3 C H6 H . . . 1 1 3 3 C H5 H . . . . . . 1.700 3.157 . . . . . A . 3 C H5 . . A . 3 C H6 . 1 . 3 C H5 . . . 1 . 3 C H6 . . rr_1ekd 1
13 1 . . 1 1 7 7 C H5 H . . . 1 1 7 7 C H6 H . . . . . . 1.677 3.114 . . . . . A . 7 C H5 . . A . 7 C H6 . 1 . 7 C H5 . . . 1 . 7 C H6 . . rr_1ekd 1
14 1 . . 1 1 8 8 C H6 H . . . 1 1 8 8 C H5 H . . . . . . 1.583 2.940 . . . . . A . 8 C H5 . . A . 8 C H6 . 1 . 8 C3' H5 . . . 1 . 8 C3' H6 . . rr_1ekd 1
15 1 . . 1 1 4 4 G H8 H . . . 1 1 5 5 U H5 H . . . . . . 2.533 4.705 . . . . . A . 5 U H5 . . A . 4 G H8 . 1 . 5 U H5 . . . 1 . 4 G H8 . . rr_1ekd 1
16 1 . . 1 1 2 2 G H8 H . . . 1 1 3 3 C H5 H . . . . . . 3.048 5.661 . . . . . A . 3 C H5 . . A . 2 G H8 . 1 . 3 C H5 . . . 1 . 2 G H8 . . rr_1ekd 1
17 1 . . 1 1 6 6 G H8 H . . . 1 1 7 7 C H5 H . . . . . . 2.387 4.433 . . . . . A . 7 C H5 . . A . 6 G H8 . 1 . 7 C H5 . . . 1 . 6 G H8 . . rr_1ekd 1
18 1 . . 1 1 2 2 G H1' H . . . 1 1 2 2 G H2' H . . . . . . 1.697 3.151 . . . . . A . 2 G H1' . . A . 2 G H2' . 1 . 2 G H1' . . . 1 . 2 G H2' . . rr_1ekd 1
19 1 . . 1 1 2 2 G H1' H . . . 1 1 2 2 G H3' H . . . . . . 1.600 4.043 . . . . . A . 2 G H1' . . A . 2 G H3' . 1 . 2 G H1' . . . 1 . 2 G H3' . . rr_1ekd 1
20 1 . . 1 1 2 2 G H1' H . . . 1 1 1 1 G H2' H . . . . . . 2.841 5.276 . . . . . A . 2 G H1' . . A . 1 G H2' . 1 . 2 G H1' . . . 1 . 1 G5' H2' . . rr_1ekd 1
21 1 . . 1 1 6 6 G H1' H . . . 1 1 6 6 G H4' H . . . . . . 2.015 3.742 . . . . . A . 6 G H1' . . A . 6 G H4' . 1 . 6 G H1' . . . 1 . 6 G H4' . . rr_1ekd 1
22 1 . . 1 1 6 6 G H1' H . . . 1 1 6 6 G H2' H . . . . . . 1.600 6.000 . . . . . A . 6 G H1' . . A . 6 G H2' . 1 . 6 G H1' . . . 1 . 6 G H2' . . rr_1ekd 1
23 1 . . 1 1 6 6 G H1' H . . . 1 1 6 6 G H3' H . . . . . . 1.600 6.000 . . . . . A . 6 G H1' . . A . 6 G H3' . 1 . 6 G H1' . . . 1 . 6 G H3' . . rr_1ekd 1
24 1 . . 1 1 4 4 G H1' H . . . 1 1 4 4 G H2' H . . . . . . 1.600 4.181 . . . . . A . 4 G H1' . . A . 4 G H2' . 1 . 4 G H1' . . . 1 . 4 G H2' . . rr_1ekd 1
25 1 . . 1 1 4 4 G H1' H . . . 1 1 4 4 G H3' H . . . . . . 2.088 3.877 . . . . . A . 4 G H1' . . A . 4 G H3' . 1 . 4 G H1' . . . 1 . 4 G H3' . . rr_1ekd 1
26 1 . . 1 1 4 4 G H1' H . . . 1 1 4 4 G H4' H . . . . . . 2.027 3.764 . . . . . A . 4 G H1' . . A . 4 G H4' . 1 . 4 G H1' . . . 1 . 4 G H4' . . rr_1ekd 1
27 1 . . 1 1 4 4 G H1' H . . . 1 1 3 3 C H2' H . . . . . . 2.138 3.971 . . . . . A . 4 G H1' . . A . 3 C H2' . 1 . 4 G H1' . . . 1 . 3 C H2' . . rr_1ekd 1
28 1 . . 1 1 8 8 C H1' H . . . 1 1 8 8 C H2' H . . . . . . 1.710 3.176 . . . . . A . 8 C H1' . . A . 8 C H2' . 1 . 8 C3' H1' . . . 1 . 8 C3' H2' . . rr_1ekd 1
29 1 . . 1 1 8 8 C H1' H . . . 1 1 8 8 C H4' H . . . . . . 2.463 6.000 . . . . . A . 8 C H1' . . A . 8 C H4' . 1 . 8 C3' H1' . . . 1 . 8 C3' H4' . . rr_1ekd 1
30 1 . . 1 1 8 8 C H1' H . . . 1 1 7 7 C H2' H . . . . . . 2.463 6.000 . . . . . A . 8 C H1' . . A . 7 C H2' . 1 . 8 C3' H1' . . . 1 . 7 C H2' . . rr_1ekd 1
31 1 . . 1 1 1 1 G H1' H . . . 1 1 1 1 G H4' H . . . . . . 2.300 4.271 . . . . . A . 1 G H1' . . A . 1 G H4' . 1 . 1 G5' H1' . . . 1 . 1 G5' H4' . . rr_1ekd 1
32 1 . . 1 1 1 1 G H1' H . . . 1 1 1 1 G H3' H . . . . . . 2.228 4.137 . . . . . A . 1 G H1' . . A . 1 G H3' . 1 . 1 G5' H1' . . . 1 . 1 G5' H3' . . rr_1ekd 1
33 1 . . 1 1 1 1 G H1' H . . . 1 1 1 1 G H2' H . . . . . . 1.833 3.404 . . . . . A . 1 G H1' . . A . 1 G H2' . 1 . 1 G5' H1' . . . 1 . 1 G5' H2' . . rr_1ekd 1
34 1 . . 1 1 3 3 C H1' H . . . 1 1 3 3 C H4' H . . . . . . 2.170 4.029 . . . . . A . 3 C H1' . . A . 3 C H4' . 1 . 3 C H1' . . . 1 . 3 C H4' . . rr_1ekd 1
35 1 . . 1 1 3 3 C H1' H . . . 1 1 3 3 C H3' H . . . . . . 2.040 3.789 . . . . . A . 3 C H1' . . A . 3 C H3' . 1 . 3 C H1' . . . 1 . 3 C H3' . . rr_1ekd 1
36 1 . . 1 1 3 3 C H1' H . . . 1 1 3 3 C H2' H . . . . . . 1.750 3.250 . . . . . A . 3 C H1' . . A . 3 C H2' . 1 . 3 C H1' . . . 1 . 3 C H2' . . rr_1ekd 1
37 1 . . 1 1 7 7 C H2' H . . . 1 1 7 7 C H1' H . . . . . . 1.714 4.500 . . . . . A . 7 C H1' . . A . 7 C H2' . 1 . 7 C H1' . . . 1 . 7 C H2' . . rr_1ekd 1
38 1 . . 1 1 7 7 C H1' H . . . 1 1 7 7 C H3' H . . . . . . 1.891 4.500 . . . . . A . 7 C H1' . . A . 7 C H3' . 1 . 7 C H1' . . . 1 . 7 C H3' . . rr_1ekd 1
39 1 . . 1 1 6 6 G H2' H . . . 1 1 7 7 C H1' H . . . . . . 2.544 4.725 . . . . . A . 7 C H1' . . A . 6 G H2' . 1 . 7 C H1' . . . 1 . 6 G H2' . . rr_1ekd 1
40 1 . . 1 1 5 5 U H1' H . . . 1 1 5 5 U H2' H . . . . . . 1.777 3.300 . . . . . A . 5 U H1' . . A . 5 U H2' . 1 . 5 U H1' . . . 1 . 5 U H2' . . rr_1ekd 1
41 1 . . 1 1 5 5 U H1' H . . . 1 1 5 5 U H4' H . . . . . . 2.150 3.994 . . . . . A . 5 U H1' . . A . 5 U H4' . 1 . 5 U H1' . . . 1 . 5 U H4' . . rr_1ekd 1
42 1 . . 1 1 5 5 U H1' H . . . 1 1 5 5 U H3' H . . . . . . 2.284 4.241 . . . . . A . 5 U H1' . . A . 5 U H3' . 1 . 5 U H1' . . . 1 . 5 U H3' . . rr_1ekd 1
43 1 . . 1 1 7 7 C H5 H . . . 1 1 7 7 C H3' H . . . . . . 2.532 4.703 . . . . . A . 7 C H5 . . A . 7 C H3' . 1 . 7 C H5 . . . 1 . 7 C H3' . . rr_1ekd 1
44 1 . . 1 1 3 3 C H5 H . . . 1 1 2 2 G H2' H . . . . . . 2.178 6.000 . . . . . A . 3 C H5 . . A . 2 G H2' . 1 . 3 C H5 . . . 1 . 2 G H2' . . rr_1ekd 1
45 1 . . 1 1 3 3 C H5 H . . . 1 1 3 3 C H3' H . . . . . . 2.178 6.000 . . . . . A . 3 C H5 . . A . 3 C H3' . 1 . 3 C H5 . . . 1 . 3 C H3' . . rr_1ekd 1
46 1 . . 1 1 7 7 C H5 H . . . 1 1 6 6 G H2' H . . . . . . 2.126 6.000 . . . . . A . 7 C H5 . . A . 6 G H2' . 1 . 7 C H5 . . . 1 . 6 G H2' . . rr_1ekd 1
47 1 . . 1 1 7 7 C H5 H . . . 1 1 6 6 G H3' H . . . . . . 2.126 6.000 . . . . . A . 7 C H5 . . A . 6 G H3' . 1 . 7 C H5 . . . 1 . 6 G H3' . . rr_1ekd 1
48 1 . . 1 1 3 3 C H5 H . . . 1 1 2 2 G H3' H . . . . . . 1.600 4.395 . . . . . A . 3 C H5 . . A . 2 G H3' . 1 . 3 C H5 . . . 1 . 2 G H3' . . rr_1ekd 1
49 1 . . 1 1 5 5 U H5 H . . . 1 1 4 4 G H3' H . . . . . . 2.165 4.022 . . . . . A . 5 U H5 . . A . 4 G H3' . 1 . 5 U H5 . . . 1 . 4 G H3' . . rr_1ekd 1
50 1 . . 1 1 8 8 C H5 H . . . 1 1 7 7 C H2' H . . . . . . 2.000 6.000 . . . . . A . 8 C H5 . . A . 7 C H2' . 1 . 8 C3' H5 . . . 1 . 7 C H2' . . rr_1ekd 1
51 1 . . 1 1 8 8 C H5 H . . . 1 1 7 7 C H3' H . . . . . . 2.000 6.000 . . . . . A . 8 C H5 . . A . 7 C H3' . 1 . 8 C3' H5 . . . 1 . 7 C H3' . . rr_1ekd 1
52 1 . . 1 1 3 3 C H1' H . . . 1 1 4 4 G H5' H . . . . . . 2.873 5.335 . . . . . A . 3 C H1' . . A . 4 G H5' . 1 . 3 C H1' . . . 1 . 4 G H5'1 . . rr_1ekd 1
53 1 . . 1 1 8 8 C H1' H . . . 1 1 8 8 C H5' H . . . . . . 2.592 4.814 . . . . . A . 8 C H1' . . A . 8 C H5' . 1 . 8 C3' H1' . . . 1 . 8 C3' H5'1 . . rr_1ekd 1
54 1 . . 1 1 2 2 G H1' H . . . 1 1 2 2 G H4' H . . . . . . 3.013 5.595 . . . . . A . 2 G H1' . . A . 2 G H4' . 1 . 2 G H1' . . . 1 . 2 G H4' . . rr_1ekd 1
55 1 . . 1 1 6 6 G H8 H . . . 1 1 5 5 U H2' H . . . . . . 1.796 3.336 . . . . . A . 6 G H8 . . A . 5 U H2' . 1 . 6 G H8 . . . 1 . 5 U H2' . . rr_1ekd 1
56 1 . . 1 1 6 6 G H8 H . . . 1 1 5 5 U H3' H . . . . . . 1.794 6.000 . . . . . A . 6 G H8 . . A . 5 U H3' . 1 . 6 G H8 . . . 1 . 5 U H3' . . rr_1ekd 1
57 1 . . 1 1 6 6 G H8 H . . . 1 1 6 6 G H2' H . . . . . . 1.794 6.000 . . . . . A . 6 G H8 . . A . 6 G H2' . 1 . 6 G H8 . . . 1 . 6 G H2' . . rr_1ekd 1
58 1 . . 1 1 6 6 G H8 H . . . 1 1 6 6 G H3' H . . . . . . 1.794 6.000 . . . . . A . 6 G H8 . . A . 6 G H3' . 1 . 6 G H8 . . . 1 . 6 G H3' . . rr_1ekd 1
59 1 . . 1 1 1 1 G H8 H . . . 1 1 1 1 G H5' H . . . . . . 2.202 4.090 . . . . . A . 1 G H8 . . A . 1 G H5' . 1 . 1 G5' H8 . . . 1 . 1 G5' H5'1 . . rr_1ekd 1
60 1 . . 1 1 1 1 G H8 H . . . 1 1 1 1 G H3' H . . . . . . 1.990 3.697 . . . . . A . 1 G H8 . . A . 1 G H3' . 1 . 1 G5' H8 . . . 1 . 1 G5' H3' . . rr_1ekd 1
61 1 . . 1 1 1 1 G H8 H . . . 1 1 1 1 G H2' H . . . . . . 2.411 4.478 . . . . . A . 1 G H8 . . A . 1 G H2' . 1 . 1 G5' H8 . . . 1 . 1 G5' H2' . . rr_1ekd 1
62 1 . . 1 1 4 4 G H8 H . . . 1 1 3 3 C H3' H . . . . . . 2.007 3.727 . . . . . A . 4 G H8 . . A . 3 C H3' . 1 . 4 G H8 . . . 1 . 3 C H3' . . rr_1ekd 1
63 1 . . 1 1 4 4 G H8 H . . . 1 1 3 3 C H2' H . . . . . . 1.840 3.418 . . . . . A . 4 G H8 . . A . 3 C H2' . 1 . 4 G H8 . . . 1 . 3 C H2' . . rr_1ekd 1
64 1 . . 1 1 2 2 G H8 H . . . 1 1 2 2 G H2' H . . . . . . 1.716 6.000 . . . . . A . 2 G H8 . . A . 2 G H2' . 1 . 2 G H8 . . . 1 . 2 G H2' . . rr_1ekd 1
65 1 . . 1 1 2 2 G H8 H . . . 1 1 1 1 G H3' H . . . . . . 1.716 6.000 . . . . . A . 2 G H8 . . A . 1 G H3' . 1 . 2 G H8 . . . 1 . 1 G5' H3' . . rr_1ekd 1
66 1 . . 1 1 2 2 G H8 H . . . 1 1 2 2 G H3' H . . . . . . 1.873 3.479 . . . . . A . 2 G H8 . . A . 2 G H3' . 1 . 2 G H8 . . . 1 . 2 G H3' . . rr_1ekd 1
67 1 . . 1 1 2 2 G H8 H . . . 1 1 1 1 G H2' H . . . . . . 1.659 3.081 . . . . . A . 2 G H8 . . A . 1 G H2' . 1 . 2 G H8 . . . 1 . 1 G5' H2' . . rr_1ekd 1
68 1 . . 1 1 8 8 C H6 H . . . 1 1 8 8 C H2' H . . . . . . 1.924 3.572 . . . . . A . 8 C H6 . . A . 8 C H2' . 1 . 8 C3' H6 . . . 1 . 8 C3' H2' . . rr_1ekd 1
69 1 . . 1 1 8 8 C H6 H . . . 1 1 8 8 C H3' H . . . . . . 1.661 3.084 . . . . . A . 8 C H6 . . A . 8 C H3' . 1 . 8 C3' H6 . . . 1 . 8 C3' H3' . . rr_1ekd 1
70 1 . . 1 1 5 5 U H6 H . . . 1 1 4 4 G H3' H . . . . . . 1.793 3.330 . . . . . A . 5 U H6 . . A . 4 G H3' . 1 . 5 U H6 . . . 1 . 4 G H3' . . rr_1ekd 1
71 1 . . 1 1 8 8 C H6 H . . . 1 1 7 7 C H2' H . . . . . . 1.696 3.150 . . . . . A . 8 C H6 . . A . 7 C H2' . 1 . 8 C3' H6 . . . 1 . 7 C H2' . . rr_1ekd 1
72 1 . . 1 1 7 7 C H6 H . . . 1 1 7 7 C H3' H . . . . . . 1.659 3.080 . . . . . A . 7 C H6 . . A . 7 C H3' . 1 . 7 C H6 . . . 1 . 7 C H3' . . rr_1ekd 1
73 1 . . 1 1 3 3 C H6 H . . . 1 1 2 2 G H2' H . . . . . . 1.497 4.500 . . . . . A . 3 C H6 . . A . 2 G H2' . 1 . 3 C H6 . . . 1 . 2 G H2' . . rr_1ekd 1
74 1 . . 1 1 3 3 C H6 H . . . 1 1 3 3 C H3' H . . . . . . 1.497 6.000 . . . . . A . 3 C H6 . . A . 3 C H3' . 1 . 3 C H6 . . . 1 . 3 C H3' . . rr_1ekd 1
75 1 . . 1 1 7 7 C H6 H . . . 1 1 6 6 G H2' H . . . . . . 1.600 6.000 . . . . . A . 7 C H6 . . A . 6 G H2' . 1 . 7 C H6 . . . 1 . 6 G H2' . . rr_1ekd 1
76 1 . . 1 1 7 7 C H6 H . . . 1 1 6 6 G H3' H . . . . . . 1.600 6.000 . . . . . A . 7 C H6 . . A . 6 G H3' . 1 . 7 C H6 . . . 1 . 6 G H3' . . rr_1ekd 1
77 1 . . 1 1 5 5 U H6 H . . . 1 1 5 5 U H3' H . . . . . . 1.600 6.000 . . . . . A . 5 U H6 . . A . 5 U H3' . 1 . 5 U H6 . . . 1 . 5 U H3' . . rr_1ekd 1
78 1 . . 1 1 3 3 C H6 H . . . 1 1 3 3 C H2' H . . . . . . 1.600 6.000 . . . . . A . 3 C H6 . . A . 3 C H2' . 1 . 3 C H6 . . . 1 . 3 C H2' . . rr_1ekd 1
79 1 . . 1 1 4 4 G H8 H . . . 1 1 4 4 G H3' H . . . . . . 1.829 6.000 . . . . . A . 4 G H8 . . A . 4 G H3' . 1 . 4 G H8 . . . 1 . 4 G H3' . . rr_1ekd 1
80 1 . . 1 1 4 4 G H8 H . . . 1 1 4 4 G H5'' H . . . . . . 1.829 4.500 . . . . . A . 4 G H8 . . A . 4 G H5'' . 1 . 4 G H8 . . . 1 . 4 G H5'2 . . rr_1ekd 1
81 1 . . 1 1 4 4 G H8 H . . . 1 1 4 4 G H5' H . . . . . . 2.189 4.065 . . . . . A . 4 G H8 . . A . 4 G H5' . 1 . 4 G H8 . . . 1 . 4 G H5'1 . . rr_1ekd 1
82 1 . . 1 1 4 4 G H8 H . . . 1 1 4 4 G H2' H . . . . . . 1.600 6.000 . . . . . A . 4 G H8 . . A . 4 G H2' . 1 . 4 G H8 . . . 1 . 4 G H2' . . rr_1ekd 1
83 1 . . 1 1 2 2 G H8 H . . . 1 1 2 2 G H5' H . . . . . . 2.304 4.279 . . . . . A . 2 G H8 . . A . 2 G H5' . 1 . 2 G H8 . . . 1 . 2 G H5'1 . . rr_1ekd 1
84 1 . . 1 1 5 5 U H6 H . . . 1 1 4 4 G H2' H . . . . . . 1.600 6.000 . . . . . A . 5 U H6 . . A . 4 G H2' . 1 . 5 U H6 . . . 1 . 4 G H2' . . rr_1ekd 1
85 1 . . 1 1 6 6 G H8 H . . . 1 1 6 6 G H5' H . . . . . . 2.293 4.258 . . . . . A . 6 G H8 . . A . 6 G H5' . 1 . 6 G H8 . . . 1 . 6 G H5'1 . . rr_1ekd 1
86 1 . . 1 1 7 7 C H5 H . . . 1 1 8 8 C H5 H . . . . . . 2.669 4.957 . . . . . A . 8 C H5 . . A . 7 C H5 . 1 . 8 C3' H5 . . . 1 . 7 C H5 . . rr_1ekd 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
the walk region
;
1 1 2 16 rr_1ekd 1
2 "1:C3'_8:H5 1:G5'_1B:H8 2.677 4.972 25.000 25.000 1000.000" 19 1 20 75 rr_1ekd 1
3 "H1'_H2' region" 22 1 23 16 rr_1ekd 1
4 "base _sugar region" 62 1 63 19 rr_1ekd 1
5 "The second strand begins here!" 98 1 98 32 rr_1ekd 1
6 "H1'_H2' region" 117 1 118 16 rr_1ekd 1
7 "base _sugar region" 157 1 158 19 rr_1ekd 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 87 1 "Not handling restraint 87, item 1, resonance(s) 'B.1.H1'' (nmrStar names),'B.1.H8' (nmrStar names) not linked" rr_1ekd 1
2 2 88 1 "Not handling restraint 88, item 1, resonance(s) 'B.2.H1'' (nmrStar names),'B.2.H8' (nmrStar names) not linked" rr_1ekd 1
3 2 89 1 "Not handling restraint 89, item 1, resonance(s) 'B.3.H1'' (nmrStar names),'B.3.H6' (nmrStar names) not linked" rr_1ekd 1
4 2 90 1 "Not handling restraint 90, item 1, resonance(s) 'B.3.H1'' (nmrStar names),'B.4.H8' (nmrStar names) not linked" rr_1ekd 1
5 2 91 1 "Not handling restraint 91, item 1, resonance(s) 'B.4.H8' (nmrStar names),'B.4.H1'' (nmrStar names) not linked" rr_1ekd 1
6 2 92 1 "Not handling restraint 92, item 1, resonance(s) 'B.4.H1'' (nmrStar names),'B.5.H6' (nmrStar names) not linked" rr_1ekd 1
7 2 93 1 "Not handling restraint 93, item 1, resonance(s) 'B.5.H6' (nmrStar names),'B.5.H1'' (nmrStar names) not linked" rr_1ekd 1
8 2 94 1 "Not handling restraint 94, item 1, resonance(s) 'B.5.H1'' (nmrStar names),'B.6.H8' (nmrStar names) not linked" rr_1ekd 1
9 2 95 1 "Not handling restraint 95, item 1, resonance(s) 'B.6.H8' (nmrStar names),'B.6.H1'' (nmrStar names) not linked" rr_1ekd 1
10 2 96 1 "Not handling restraint 96, item 1, resonance(s) 'B.8.H1'' (nmrStar names),'B.8.H6' (nmrStar names) not linked" rr_1ekd 1
11 2 97 1 "Not handling restraint 97, item 1, resonance(s) 'B.5.H6' (nmrStar names),'B.5.H5' (nmrStar names) not linked" rr_1ekd 1
12 2 98 1 "Not handling restraint 98, item 1, resonance(s) 'B.3.H6' (nmrStar names),'B.3.H5' (nmrStar names) not linked" rr_1ekd 1
13 2 99 1 "Not handling restraint 99, item 1, resonance(s) 'B.7.H5' (nmrStar names),'B.7.H6' (nmrStar names) not linked" rr_1ekd 1
14 2 100 1 "Not handling restraint 100, item 1, resonance(s) 'B.8.H6' (nmrStar names),'B.8.H5' (nmrStar names) not linked" rr_1ekd 1
15 2 101 1 "Not handling restraint 101, item 1, resonance(s) 'B.4.H8' (nmrStar names),'B.5.H5' (nmrStar names) not linked" rr_1ekd 1
16 2 102 1 "Not handling restraint 102, item 1, resonance(s) 'B.2.H8' (nmrStar names),'B.3.H5' (nmrStar names) not linked" rr_1ekd 1
17 2 103 1 "Not handling restraint 103, item 1, resonance(s) 'B.6.H8' (nmrStar names),'B.7.H5' (nmrStar names) not linked" rr_1ekd 1
18 2 104 1 "Not handling restraint 104, item 1, resonance(s) 'B.2.H1'' (nmrStar names),'B.2.H2'' (nmrStar names) not linked" rr_1ekd 1
19 2 105 1 "Not handling restraint 105, item 1, resonance(s) 'B.2.H1'' (nmrStar names),'B.2.H3'' (nmrStar names) not linked" rr_1ekd 1
20 2 106 1 "Not handling restraint 106, item 1, resonance(s) 'B.2.H1'' (nmrStar names),'B.1.H2'' (nmrStar names) not linked" rr_1ekd 1
21 2 107 1 "Not handling restraint 107, item 1, resonance(s) 'B.6.H1'' (nmrStar names),'B.6.H4'' (nmrStar names) not linked" rr_1ekd 1
22 2 108 1 "Not handling restraint 108, item 1, resonance(s) 'B.6.H1'' (nmrStar names),'B.6.H2'' (nmrStar names) not linked" rr_1ekd 1
23 2 109 1 "Not handling restraint 109, item 1, resonance(s) 'B.6.H1'' (nmrStar names),'B.6.H3'' (nmrStar names) not linked" rr_1ekd 1
24 2 110 1 "Not handling restraint 110, item 1, resonance(s) 'B.4.H1'' (nmrStar names),'B.4.H2'' (nmrStar names) not linked" rr_1ekd 1
25 2 111 1 "Not handling restraint 111, item 1, resonance(s) 'B.4.H1'' (nmrStar names),'B.4.H3'' (nmrStar names) not linked" rr_1ekd 1
26 2 112 1 "Not handling restraint 112, item 1, resonance(s) 'B.4.H1'' (nmrStar names),'B.4.H4'' (nmrStar names) not linked" rr_1ekd 1
27 2 113 1 "Not handling restraint 113, item 1, resonance(s) 'B.4.H1'' (nmrStar names),'B.3.H2'' (nmrStar names) not linked" rr_1ekd 1
28 2 114 1 "Not handling restraint 114, item 1, resonance(s) 'B.8.H1'' (nmrStar names),'B.8.H2'' (nmrStar names) not linked" rr_1ekd 1
29 2 115 1 "Not handling restraint 115, item 1, resonance(s) 'B.8.H1'' (nmrStar names),'B.8.H4'' (nmrStar names) not linked" rr_1ekd 1
30 2 116 1 "Not handling restraint 116, item 1, resonance(s) 'B.8.H1'' (nmrStar names),'B.7.H2'' (nmrStar names) not linked" rr_1ekd 1
31 2 117 1 "Not handling restraint 117, item 1, resonance(s) 'B.1.H1'' (nmrStar names),'B.1.H4'' (nmrStar names) not linked" rr_1ekd 1
32 2 118 1 "Not handling restraint 118, item 1, resonance(s) 'B.1.H1'' (nmrStar names),'B.1.H3'' (nmrStar names) not linked" rr_1ekd 1
33 2 119 1 "Not handling restraint 119, item 1, resonance(s) 'B.1.H1'' (nmrStar names),'B.1.H2'' (nmrStar names) not linked" rr_1ekd 1
34 2 120 1 "Not handling restraint 120, item 1, resonance(s) 'B.3.H1'' (nmrStar names),'B.3.H4'' (nmrStar names) not linked" rr_1ekd 1
35 2 121 1 "Not handling restraint 121, item 1, resonance(s) 'B.3.H1'' (nmrStar names),'B.3.H3'' (nmrStar names) not linked" rr_1ekd 1
36 2 122 1 "Not handling restraint 122, item 1, resonance(s) 'B.3.H1'' (nmrStar names),'B.3.H2'' (nmrStar names) not linked" rr_1ekd 1
37 2 123 1 "Not handling restraint 123, item 1, resonance(s) 'B.7.H2'' (nmrStar names),'B.7.H1'' (nmrStar names) not linked" rr_1ekd 1
38 2 124 1 "Not handling restraint 124, item 1, resonance(s) 'B.7.H1'' (nmrStar names),'B.7.H3'' (nmrStar names) not linked" rr_1ekd 1
39 2 125 1 "Not handling restraint 125, item 1, resonance(s) 'B.6.H2'' (nmrStar names),'B.7.H1'' (nmrStar names) not linked" rr_1ekd 1
40 2 126 1 "Not handling restraint 126, item 1, resonance(s) 'B.5.H1'' (nmrStar names),'B.5.H2'' (nmrStar names) not linked" rr_1ekd 1
41 2 127 1 "Not handling restraint 127, item 1, resonance(s) 'B.5.H1'' (nmrStar names),'B.5.H4'' (nmrStar names) not linked" rr_1ekd 1
42 2 128 1 "Not handling restraint 128, item 1, resonance(s) 'B.5.H1'' (nmrStar names),'B.5.H3'' (nmrStar names) not linked" rr_1ekd 1
43 2 129 1 "Not handling restraint 129, item 1, resonance(s) 'B.7.H5' (nmrStar names),'B.7.H3'' (nmrStar names) not linked" rr_1ekd 1
44 2 130 1 "Not handling restraint 130, item 1, resonance(s) 'B.3.H5' (nmrStar names),'B.2.H2'' (nmrStar names) not linked" rr_1ekd 1
45 2 131 1 "Not handling restraint 131, item 1, resonance(s) 'B.3.H5' (nmrStar names),'B.3.H3'' (nmrStar names) not linked" rr_1ekd 1
46 2 132 1 "Not handling restraint 132, item 1, resonance(s) 'B.7.H5' (nmrStar names),'B.6.H2'' (nmrStar names) not linked" rr_1ekd 1
47 2 133 1 "Not handling restraint 133, item 1, resonance(s) 'B.7.H5' (nmrStar names),'B.6.H3'' (nmrStar names) not linked" rr_1ekd 1
48 2 134 1 "Not handling restraint 134, item 1, resonance(s) 'B.3.H5' (nmrStar names),'B.2.H3'' (nmrStar names) not linked" rr_1ekd 1
49 2 135 1 "Not handling restraint 135, item 1, resonance(s) 'B.5.H5' (nmrStar names),'B.4.H3'' (nmrStar names) not linked" rr_1ekd 1
50 2 136 1 "Not handling restraint 136, item 1, resonance(s) 'B.8.H5' (nmrStar names),'B.7.H2'' (nmrStar names) not linked" rr_1ekd 1
51 2 137 1 "Not handling restraint 137, item 1, resonance(s) 'B.8.H5' (nmrStar names),'B.7.H3'' (nmrStar names) not linked" rr_1ekd 1
52 2 138 1 "Not handling restraint 138, item 1, resonance(s) 'B.3.H1'' (nmrStar names),'B.4.H5'1' (nmrStar names) not linked" rr_1ekd 1
53 2 139 1 "Not handling restraint 139, item 1, resonance(s) 'B.8.H1'' (nmrStar names),'B.8.H5'1' (nmrStar names) not linked" rr_1ekd 1
54 2 140 1 "Not handling restraint 140, item 1, resonance(s) 'B.2.H1'' (nmrStar names),'B.2.H4'' (nmrStar names) not linked" rr_1ekd 1
55 2 141 1 "Not handling restraint 141, item 1, resonance(s) 'B.6.H8' (nmrStar names),'B.5.H2'' (nmrStar names) not linked" rr_1ekd 1
56 2 142 1 "Not handling restraint 142, item 1, resonance(s) 'B.6.H8' (nmrStar names),'B.5.H3'' (nmrStar names) not linked" rr_1ekd 1
57 2 143 1 "Not handling restraint 143, item 1, resonance(s) 'B.6.H8' (nmrStar names),'B.6.H2'' (nmrStar names) not linked" rr_1ekd 1
58 2 144 1 "Not handling restraint 144, item 1, resonance(s) 'B.6.H8' (nmrStar names),'B.6.H3'' (nmrStar names) not linked" rr_1ekd 1
59 2 145 1 "Not handling restraint 145, item 1, resonance(s) 'B.1.H8' (nmrStar names),'B.1.H5'1' (nmrStar names) not linked" rr_1ekd 1
60 2 146 1 "Not handling restraint 146, item 1, resonance(s) 'B.1.H8' (nmrStar names),'B.1.H3'' (nmrStar names) not linked" rr_1ekd 1
61 2 147 1 "Not handling restraint 147, item 1, resonance(s) 'B.1.H8' (nmrStar names),'B.1.H2'' (nmrStar names) not linked" rr_1ekd 1
62 2 148 1 "Not handling restraint 148, item 1, resonance(s) 'B.4.H8' (nmrStar names),'B.3.H3'' (nmrStar names) not linked" rr_1ekd 1
63 2 149 1 "Not handling restraint 149, item 1, resonance(s) 'B.4.H8' (nmrStar names),'B.3.H2'' (nmrStar names) not linked" rr_1ekd 1
64 2 150 1 "Not handling restraint 150, item 1, resonance(s) 'B.2.H8' (nmrStar names),'B.2.H2'' (nmrStar names) not linked" rr_1ekd 1
65 2 151 1 "Not handling restraint 151, item 1, resonance(s) 'B.2.H8' (nmrStar names),'B.1.H3'' (nmrStar names) not linked" rr_1ekd 1
66 2 152 1 "Not handling restraint 152, item 1, resonance(s) 'B.2.H8' (nmrStar names),'B.2.H3'' (nmrStar names) not linked" rr_1ekd 1
67 2 153 1 "Not handling restraint 153, item 1, resonance(s) 'B.2.H8' (nmrStar names),'B.1.H2'' (nmrStar names) not linked" rr_1ekd 1
68 2 154 1 "Not handling restraint 154, item 1, resonance(s) 'B.8.H6' (nmrStar names),'B.8.H2'' (nmrStar names) not linked" rr_1ekd 1
69 2 155 1 "Not handling restraint 155, item 1, resonance(s) 'B.8.H6' (nmrStar names),'B.8.H3'' (nmrStar names) not linked" rr_1ekd 1
70 2 156 1 "Not handling restraint 156, item 1, resonance(s) 'B.5.H6' (nmrStar names),'B.4.H3'' (nmrStar names) not linked" rr_1ekd 1
71 2 157 1 "Not handling restraint 157, item 1, resonance(s) 'B.8.H6' (nmrStar names),'B.7.H2'' (nmrStar names) not linked" rr_1ekd 1
72 2 158 1 "Not handling restraint 158, item 1, resonance(s) 'B.7.H6' (nmrStar names),'B.7.H3'' (nmrStar names) not linked" rr_1ekd 1
73 2 159 1 "Not handling restraint 159, item 1, resonance(s) 'B.3.H6' (nmrStar names),'B.2.H2'' (nmrStar names) not linked" rr_1ekd 1
74 2 160 1 "Not handling restraint 160, item 1, resonance(s) 'B.3.H6' (nmrStar names),'B.3.H3'' (nmrStar names) not linked" rr_1ekd 1
75 2 161 1 "Not handling restraint 161, item 1, resonance(s) 'B.7.H6' (nmrStar names),'B.6.H2'' (nmrStar names) not linked" rr_1ekd 1
76 2 162 1 "Not handling restraint 162, item 1, resonance(s) 'B.7.H6' (nmrStar names),'B.6.H3'' (nmrStar names) not linked" rr_1ekd 1
77 2 163 1 "Not handling restraint 163, item 1, resonance(s) 'B.5.H6' (nmrStar names),'B.5.H3'' (nmrStar names) not linked" rr_1ekd 1
78 2 164 1 "Not handling restraint 164, item 1, resonance(s) 'B.3.H6' (nmrStar names),'B.3.H2'' (nmrStar names) not linked" rr_1ekd 1
79 2 165 1 "Not handling restraint 165, item 1, resonance(s) 'B.4.H8' (nmrStar names),'B.4.H3'' (nmrStar names) not linked" rr_1ekd 1
80 2 166 1 "Not handling restraint 166, item 1, resonance(s) 'B.4.H8' (nmrStar names),'B.4.H5'2' (nmrStar names) not linked" rr_1ekd 1
81 2 167 1 "Not handling restraint 167, item 1, resonance(s) 'B.4.H8' (nmrStar names),'B.4.H5'1' (nmrStar names) not linked" rr_1ekd 1
82 2 168 1 "Not handling restraint 168, item 1, resonance(s) 'B.4.H8' (nmrStar names),'B.4.H2'' (nmrStar names) not linked" rr_1ekd 1
83 2 169 1 "Not handling restraint 169, item 1, resonance(s) 'B.2.H8' (nmrStar names),'B.2.H5'1' (nmrStar names) not linked" rr_1ekd 1
84 2 170 1 "Not handling restraint 170, item 1, resonance(s) 'B.5.H6' (nmrStar names),'B.4.H2'' (nmrStar names) not linked" rr_1ekd 1
85 2 171 1 "Not handling restraint 171, item 1, resonance(s) 'B.6.H8' (nmrStar names),'B.6.H5'1' (nmrStar names) not linked" rr_1ekd 1
86 2 172 1 "Not handling restraint 172, item 1, resonance(s) 'B.7.H5' (nmrStar names),'B.8.H5' (nmrStar names) not linked" rr_1ekd 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_1ekd
_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_1ekd 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
;Hydrogen Restraints
G_C Watson_Crick big atom restraints
;
1 1 5 1 rr_1ekd 2
2
;*********
G_U Mismatch 1:G_4:O6 1:U_5B:N3 2.76 3.05 100 100 1000
;
25 1 28 72 rr_1ekd 2
3 "1:U_5:N3 1:G_4B:O6 2.76 3.05 100 100 1000" 30 1 31 72 rr_1ekd 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_1ekd 2
2 3 2 1 "Not handling restraint 2, item 1, resonance(s) 'B.8.N3' (nmrStar names) not linked" rr_1ekd 2
3 3 3 1 "Not handling restraint 3, item 1, resonance(s) 'B.8.O2' (nmrStar names) not linked" rr_1ekd 2
4 3 4 1 "Not handling restraint 4, item 1, resonance(s) 'B.7.N4' (nmrStar names) not linked" rr_1ekd 2
5 3 5 1 "Not handling restraint 5, item 1, resonance(s) 'B.7.N3' (nmrStar names) not linked" rr_1ekd 2
6 3 6 1 "Not handling restraint 6, item 1, resonance(s) 'B.7.O2' (nmrStar names) not linked" rr_1ekd 2
7 3 7 1 "Not handling restraint 7, item 1, resonance(s) 'B.3.N4' (nmrStar names) not linked" rr_1ekd 2
8 3 8 1 "Not handling restraint 8, item 1, resonance(s) 'B.3.N3' (nmrStar names) not linked" rr_1ekd 2
9 3 9 1 "Not handling restraint 9, item 1, resonance(s) 'B.3.O2' (nmrStar names) not linked" rr_1ekd 2
10 3 10 1 "Not handling restraint 10, item 1, resonance(s) 'B.1.O6' (nmrStar names) not linked" rr_1ekd 2
11 3 11 1 "Not handling restraint 11, item 1, resonance(s) 'B.1.N1' (nmrStar names) not linked" rr_1ekd 2
12 3 12 1 "Not handling restraint 12, item 1, resonance(s) 'B.1.N2' (nmrStar names) not linked" rr_1ekd 2
13 3 13 1 "Not handling restraint 13, item 1, resonance(s) 'B.2.O6' (nmrStar names) not linked" rr_1ekd 2
14 3 14 1 "Not handling restraint 14, item 1, resonance(s) 'B.2.N1' (nmrStar names) not linked" rr_1ekd 2
15 3 15 1 "Not handling restraint 15, item 1, resonance(s) 'B.2.N2' (nmrStar names) not linked" rr_1ekd 2
16 3 16 1 "Not handling restraint 16, item 1, resonance(s) 'B.6.O6' (nmrStar names) not linked" rr_1ekd 2
17 3 17 1 "Not handling restraint 17, item 1, resonance(s) 'B.6.N1' (nmrStar names) not linked" rr_1ekd 2
18 3 18 1 "Not handling restraint 18, item 1, resonance(s) 'B.6.N2' (nmrStar names) not linked" rr_1ekd 2
19 3 19 1 "Not handling restraint 19, item 1, resonance(s) 'B.5.O2' (nmrStar names) not linked" rr_1ekd 2
20 3 20 1 "Not handling restraint 20, item 1, resonance(s) 'B.4.N1' (nmrStar names) not linked" rr_1ekd 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_1ekd
_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_1ekd 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_1ekd 1
2 1 . . . rr_1ekd 1
3 1 . . . rr_1ekd 1
4 1 . . . rr_1ekd 1
5 1 . . . rr_1ekd 1
6 1 . . . rr_1ekd 1
7 1 . . . rr_1ekd 1
8 1 . . . rr_1ekd 1
9 1 . . . rr_1ekd 1
10 1 . . . rr_1ekd 1
11 1 . . . rr_1ekd 1
12 1 . . . rr_1ekd 1
13 1 . . . rr_1ekd 1
14 1 . . . rr_1ekd 1
15 1 . . . rr_1ekd 1
16 1 . . . rr_1ekd 1
17 1 . . . rr_1ekd 1
18 1 . . . rr_1ekd 1
19 1 . . . rr_1ekd 1
20 1 . . . rr_1ekd 1
21 1 . . . rr_1ekd 1
22 1 . . . rr_1ekd 1
23 1 . . . rr_1ekd 1
24 1 . . . rr_1ekd 1
25 1 . . . rr_1ekd 1
26 1 . . . rr_1ekd 1
27 1 . . . rr_1ekd 1
28 1 . . . rr_1ekd 1
29 1 . . . rr_1ekd 1
30 1 . . . rr_1ekd 1
31 1 . . . rr_1ekd 1
32 1 . . . rr_1ekd 1
33 1 . . . rr_1ekd 1
34 1 . . . rr_1ekd 1
35 1 . . . rr_1ekd 1
36 1 . . . rr_1ekd 1
37 1 . . . rr_1ekd 1
38 1 . . . rr_1ekd 1
39 1 . . . rr_1ekd 1
40 1 . . . rr_1ekd 1
41 1 . . . rr_1ekd 1
42 1 . . . rr_1ekd 1
43 1 . . . rr_1ekd 1
44 1 . . . rr_1ekd 1
45 1 . . . rr_1ekd 1
46 1 . . . rr_1ekd 1
47 1 . . . rr_1ekd 1
48 1 . . . rr_1ekd 1
49 1 . . . rr_1ekd 1
50 1 . . . rr_1ekd 1
51 1 . . . rr_1ekd 1
52 1 . . . rr_1ekd 1
53 1 . . . rr_1ekd 1
54 1 . . . rr_1ekd 1
55 1 . . . rr_1ekd 1
56 1 . . . rr_1ekd 1
57 1 . . . rr_1ekd 1
58 1 . . . rr_1ekd 1
59 1 . . . rr_1ekd 1
60 1 . . . rr_1ekd 1
61 1 . . . rr_1ekd 1
62 1 . . . rr_1ekd 1
63 1 . . . rr_1ekd 1
64 1 . . . rr_1ekd 1
65 1 . . . rr_1ekd 1
66 1 . . . rr_1ekd 1
67 1 . . . rr_1ekd 1
68 1 . . . rr_1ekd 1
69 1 . . . rr_1ekd 1
70 1 . . . rr_1ekd 1
71 1 . . . rr_1ekd 1
72 1 . . . rr_1ekd 1
73 1 . . . rr_1ekd 1
74 1 . . . rr_1ekd 1
75 1 . . . rr_1ekd 1
76 1 . . . rr_1ekd 1
77 1 . . . rr_1ekd 1
78 1 . . . rr_1ekd 1
79 1 . . . rr_1ekd 1
80 1 . . . rr_1ekd 1
81 1 . . . rr_1ekd 1
82 1 . . . rr_1ekd 1
83 1 . . . rr_1ekd 1
84 1 . . . rr_1ekd 1
85 1 . . . rr_1ekd 1
86 1 . . . rr_1ekd 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_1ekd 1
1 1 . 2 . 1 1 1 1 G H8 H . . 1 . 1 G5' H8 rr_1ekd 1
2 1 . 1 . 1 1 2 2 G H1' H . . 1 . 2 G H1' rr_1ekd 1
2 1 . 2 . 1 1 2 2 G H8 H . . 1 . 2 G H8 rr_1ekd 1
3 1 . 1 . 1 1 3 3 C H1' H . . 1 . 3 C H1' rr_1ekd 1
3 1 . 2 . 1 1 3 3 C H6 H . . 1 . 3 C H6 rr_1ekd 1
4 1 . 1 . 1 1 3 3 C H1' H . . 1 . 3 C H1' rr_1ekd 1
4 1 . 2 . 1 1 4 4 G H8 H . . 1 . 4 G H8 rr_1ekd 1
5 1 . 1 . 1 1 4 4 G H1' H . . 1 . 4 G H1' rr_1ekd 1
5 1 . 2 . 1 1 4 4 G H8 H . . 1 . 4 G H8 rr_1ekd 1
6 1 . 1 . 1 1 4 4 G H1' H . . 1 . 4 G H1' rr_1ekd 1
6 1 . 2 . 1 1 5 5 U H6 H . . 1 . 5 U H6 rr_1ekd 1
7 1 . 1 . 1 1 5 5 U H1' H . . 1 . 5 U H1' rr_1ekd 1
7 1 . 2 . 1 1 5 5 U H6 H . . 1 . 5 U H6 rr_1ekd 1
8 1 . 1 . 1 1 5 5 U H1' H . . 1 . 5 U H1' rr_1ekd 1
8 1 . 2 . 1 1 6 6 G H8 H . . 1 . 6 G H8 rr_1ekd 1
9 1 . 1 . 1 1 6 6 G H1' H . . 1 . 6 G H1' rr_1ekd 1
9 1 . 2 . 1 1 6 6 G H8 H . . 1 . 6 G H8 rr_1ekd 1
10 1 . 1 . 1 1 8 8 C H1' H . . 1 . 8 C3' H1' rr_1ekd 1
10 1 . 2 . 1 1 8 8 C H6 H . . 1 . 8 C3' H6 rr_1ekd 1
11 1 . 1 . 1 1 5 5 U H5 H . . 1 . 5 U H5 rr_1ekd 1
11 1 . 2 . 1 1 5 5 U H6 H . . 1 . 5 U H6 rr_1ekd 1
12 1 . 1 . 1 1 3 3 C H5 H . . 1 . 3 C H5 rr_1ekd 1
12 1 . 2 . 1 1 3 3 C H6 H . . 1 . 3 C H6 rr_1ekd 1
13 1 . 1 . 1 1 7 7 C H5 H . . 1 . 7 C H5 rr_1ekd 1
13 1 . 2 . 1 1 7 7 C H6 H . . 1 . 7 C H6 rr_1ekd 1
14 1 . 1 . 1 1 8 8 C H5 H . . 1 . 8 C3' H5 rr_1ekd 1
14 1 . 2 . 1 1 8 8 C H6 H . . 1 . 8 C3' H6 rr_1ekd 1
15 1 . 1 . 1 1 5 5 U H5 H . . 1 . 5 U H5 rr_1ekd 1
15 1 . 2 . 1 1 4 4 G H8 H . . 1 . 4 G H8 rr_1ekd 1
16 1 . 1 . 1 1 3 3 C H5 H . . 1 . 3 C H5 rr_1ekd 1
16 1 . 2 . 1 1 2 2 G H8 H . . 1 . 2 G H8 rr_1ekd 1
17 1 . 1 . 1 1 7 7 C H5 H . . 1 . 7 C H5 rr_1ekd 1
17 1 . 2 . 1 1 6 6 G H8 H . . 1 . 6 G H8 rr_1ekd 1
18 1 . 1 . 1 1 2 2 G H1' H . . 1 . 2 G H1' rr_1ekd 1
18 1 . 2 . 1 1 2 2 G H2' H . . 1 . 2 G H2' rr_1ekd 1
19 1 . 1 . 1 1 2 2 G H1' H . . 1 . 2 G H1' rr_1ekd 1
19 1 . 2 . 1 1 2 2 G H3' H . . 1 . 2 G H3' rr_1ekd 1
20 1 . 1 . 1 1 2 2 G H1' H . . 1 . 2 G H1' rr_1ekd 1
20 1 . 2 . 1 1 1 1 G H2' H . . 1 . 1 G5' H2' rr_1ekd 1
21 1 . 1 . 1 1 6 6 G H1' H . . 1 . 6 G H1' rr_1ekd 1
21 1 . 2 . 1 1 6 6 G H4' H . . 1 . 6 G H4' rr_1ekd 1
22 1 . 1 . 1 1 6 6 G H1' H . . 1 . 6 G H1' rr_1ekd 1
22 1 . 2 . 1 1 6 6 G H2' H . . 1 . 6 G H2' rr_1ekd 1
23 1 . 1 . 1 1 6 6 G H1' H . . 1 . 6 G H1' rr_1ekd 1
23 1 . 2 . 1 1 6 6 G H3' H . . 1 . 6 G H3' rr_1ekd 1
24 1 . 1 . 1 1 4 4 G H1' H . . 1 . 4 G H1' rr_1ekd 1
24 1 . 2 . 1 1 4 4 G H2' H . . 1 . 4 G H2' rr_1ekd 1
25 1 . 1 . 1 1 4 4 G H1' H . . 1 . 4 G H1' rr_1ekd 1
25 1 . 2 . 1 1 4 4 G H3' H . . 1 . 4 G H3' rr_1ekd 1
26 1 . 1 . 1 1 4 4 G H1' H . . 1 . 4 G H1' rr_1ekd 1
26 1 . 2 . 1 1 4 4 G H4' H . . 1 . 4 G H4' rr_1ekd 1
27 1 . 1 . 1 1 4 4 G H1' H . . 1 . 4 G H1' rr_1ekd 1
27 1 . 2 . 1 1 3 3 C H2' H . . 1 . 3 C H2' rr_1ekd 1
28 1 . 1 . 1 1 8 8 C H1' H . . 1 . 8 C3' H1' rr_1ekd 1
28 1 . 2 . 1 1 8 8 C H2' H . . 1 . 8 C3' H2' rr_1ekd 1
29 1 . 1 . 1 1 8 8 C H1' H . . 1 . 8 C3' H1' rr_1ekd 1
29 1 . 2 . 1 1 8 8 C H4' H . . 1 . 8 C3' H4' rr_1ekd 1
30 1 . 1 . 1 1 8 8 C H1' H . . 1 . 8 C3' H1' rr_1ekd 1
30 1 . 2 . 1 1 7 7 C H2' H . . 1 . 7 C H2' rr_1ekd 1
31 1 . 1 . 1 1 1 1 G H1' H . . 1 . 1 G5' H1' rr_1ekd 1
31 1 . 2 . 1 1 1 1 G H4' H . . 1 . 1 G5' H4' rr_1ekd 1
32 1 . 1 . 1 1 1 1 G H1' H . . 1 . 1 G5' H1' rr_1ekd 1
32 1 . 2 . 1 1 1 1 G H3' H . . 1 . 1 G5' H3' rr_1ekd 1
33 1 . 1 . 1 1 1 1 G H1' H . . 1 . 1 G5' H1' rr_1ekd 1
33 1 . 2 . 1 1 1 1 G H2' H . . 1 . 1 G5' H2' rr_1ekd 1
34 1 . 1 . 1 1 3 3 C H1' H . . 1 . 3 C H1' rr_1ekd 1
34 1 . 2 . 1 1 3 3 C H4' H . . 1 . 3 C H4' rr_1ekd 1
35 1 . 1 . 1 1 3 3 C H1' H . . 1 . 3 C H1' rr_1ekd 1
35 1 . 2 . 1 1 3 3 C H3' H . . 1 . 3 C H3' rr_1ekd 1
36 1 . 1 . 1 1 3 3 C H1' H . . 1 . 3 C H1' rr_1ekd 1
36 1 . 2 . 1 1 3 3 C H2' H . . 1 . 3 C H2' rr_1ekd 1
37 1 . 1 . 1 1 7 7 C H1' H . . 1 . 7 C H1' rr_1ekd 1
37 1 . 2 . 1 1 7 7 C H2' H . . 1 . 7 C H2' rr_1ekd 1
38 1 . 1 . 1 1 7 7 C H1' H . . 1 . 7 C H1' rr_1ekd 1
38 1 . 2 . 1 1 7 7 C H3' H . . 1 . 7 C H3' rr_1ekd 1
39 1 . 1 . 1 1 7 7 C H1' H . . 1 . 7 C H1' rr_1ekd 1
39 1 . 2 . 1 1 6 6 G H2' H . . 1 . 6 G H2' rr_1ekd 1
40 1 . 1 . 1 1 5 5 U H1' H . . 1 . 5 U H1' rr_1ekd 1
40 1 . 2 . 1 1 5 5 U H2' H . . 1 . 5 U H2' rr_1ekd 1
41 1 . 1 . 1 1 5 5 U H1' H . . 1 . 5 U H1' rr_1ekd 1
41 1 . 2 . 1 1 5 5 U H4' H . . 1 . 5 U H4' rr_1ekd 1
42 1 . 1 . 1 1 5 5 U H1' H . . 1 . 5 U H1' rr_1ekd 1
42 1 . 2 . 1 1 5 5 U H3' H . . 1 . 5 U H3' rr_1ekd 1
43 1 . 1 . 1 1 7 7 C H5 H . . 1 . 7 C H5 rr_1ekd 1
43 1 . 2 . 1 1 7 7 C H3' H . . 1 . 7 C H3' rr_1ekd 1
44 1 . 1 . 1 1 3 3 C H5 H . . 1 . 3 C H5 rr_1ekd 1
44 1 . 2 . 1 1 2 2 G H2' H . . 1 . 2 G H2' rr_1ekd 1
45 1 . 1 . 1 1 3 3 C H5 H . . 1 . 3 C H5 rr_1ekd 1
45 1 . 2 . 1 1 3 3 C H3' H . . 1 . 3 C H3' rr_1ekd 1
46 1 . 1 . 1 1 7 7 C H5 H . . 1 . 7 C H5 rr_1ekd 1
46 1 . 2 . 1 1 6 6 G H2' H . . 1 . 6 G H2' rr_1ekd 1
47 1 . 1 . 1 1 7 7 C H5 H . . 1 . 7 C H5 rr_1ekd 1
47 1 . 2 . 1 1 6 6 G H3' H . . 1 . 6 G H3' rr_1ekd 1
48 1 . 1 . 1 1 3 3 C H5 H . . 1 . 3 C H5 rr_1ekd 1
48 1 . 2 . 1 1 2 2 G H3' H . . 1 . 2 G H3' rr_1ekd 1
49 1 . 1 . 1 1 5 5 U H5 H . . 1 . 5 U H5 rr_1ekd 1
49 1 . 2 . 1 1 4 4 G H3' H . . 1 . 4 G H3' rr_1ekd 1
50 1 . 1 . 1 1 8 8 C H5 H . . 1 . 8 C3' H5 rr_1ekd 1
50 1 . 2 . 1 1 7 7 C H2' H . . 1 . 7 C H2' rr_1ekd 1
51 1 . 1 . 1 1 8 8 C H5 H . . 1 . 8 C3' H5 rr_1ekd 1
51 1 . 2 . 1 1 7 7 C H3' H . . 1 . 7 C H3' rr_1ekd 1
52 1 . 1 . 1 1 3 3 C H1' H . . 1 . 3 C H1' rr_1ekd 1
52 1 . 2 . 1 1 4 4 G H5' H . . 1 . 4 G H5'1 rr_1ekd 1
53 1 . 1 . 1 1 8 8 C H1' H . . 1 . 8 C3' H1' rr_1ekd 1
53 1 . 2 . 1 1 8 8 C H5' H . . 1 . 8 C3' H5'1 rr_1ekd 1
54 1 . 1 . 1 1 2 2 G H1' H . . 1 . 2 G H1' rr_1ekd 1
54 1 . 2 . 1 1 2 2 G H4' H . . 1 . 2 G H4' rr_1ekd 1
55 1 . 1 . 1 1 6 6 G H8 H . . 1 . 6 G H8 rr_1ekd 1
55 1 . 2 . 1 1 5 5 U H2' H . . 1 . 5 U H2' rr_1ekd 1
56 1 . 1 . 1 1 6 6 G H8 H . . 1 . 6 G H8 rr_1ekd 1
56 1 . 2 . 1 1 5 5 U H3' H . . 1 . 5 U H3' rr_1ekd 1
57 1 . 1 . 1 1 6 6 G H8 H . . 1 . 6 G H8 rr_1ekd 1
57 1 . 2 . 1 1 6 6 G H2' H . . 1 . 6 G H2' rr_1ekd 1
58 1 . 1 . 1 1 6 6 G H8 H . . 1 . 6 G H8 rr_1ekd 1
58 1 . 2 . 1 1 6 6 G H3' H . . 1 . 6 G H3' rr_1ekd 1
59 1 . 1 . 1 1 1 1 G H8 H . . 1 . 1 G5' H8 rr_1ekd 1
59 1 . 2 . 1 1 1 1 G H5' H . . 1 . 1 G5' H5'1 rr_1ekd 1
60 1 . 1 . 1 1 1 1 G H8 H . . 1 . 1 G5' H8 rr_1ekd 1
60 1 . 2 . 1 1 1 1 G H3' H . . 1 . 1 G5' H3' rr_1ekd 1
61 1 . 1 . 1 1 1 1 G H8 H . . 1 . 1 G5' H8 rr_1ekd 1
61 1 . 2 . 1 1 1 1 G H2' H . . 1 . 1 G5' H2' rr_1ekd 1
62 1 . 1 . 1 1 4 4 G H8 H . . 1 . 4 G H8 rr_1ekd 1
62 1 . 2 . 1 1 3 3 C H3' H . . 1 . 3 C H3' rr_1ekd 1
63 1 . 1 . 1 1 4 4 G H8 H . . 1 . 4 G H8 rr_1ekd 1
63 1 . 2 . 1 1 3 3 C H2' H . . 1 . 3 C H2' rr_1ekd 1
64 1 . 1 . 1 1 2 2 G H8 H . . 1 . 2 G H8 rr_1ekd 1
64 1 . 2 . 1 1 2 2 G H2' H . . 1 . 2 G H2' rr_1ekd 1
65 1 . 1 . 1 1 2 2 G H8 H . . 1 . 2 G H8 rr_1ekd 1
65 1 . 2 . 1 1 1 1 G H3' H . . 1 . 1 G5' H3' rr_1ekd 1
66 1 . 1 . 1 1 2 2 G H8 H . . 1 . 2 G H8 rr_1ekd 1
66 1 . 2 . 1 1 2 2 G H3' H . . 1 . 2 G H3' rr_1ekd 1
67 1 . 1 . 1 1 2 2 G H8 H . . 1 . 2 G H8 rr_1ekd 1
67 1 . 2 . 1 1 1 1 G H2' H . . 1 . 1 G5' H2' rr_1ekd 1
68 1 . 1 . 1 1 8 8 C H6 H . . 1 . 8 C3' H6 rr_1ekd 1
68 1 . 2 . 1 1 8 8 C H2' H . . 1 . 8 C3' H2' rr_1ekd 1
69 1 . 1 . 1 1 8 8 C H6 H . . 1 . 8 C3' H6 rr_1ekd 1
69 1 . 2 . 1 1 8 8 C H3' H . . 1 . 8 C3' H3' rr_1ekd 1
70 1 . 1 . 1 1 5 5 U H6 H . . 1 . 5 U H6 rr_1ekd 1
70 1 . 2 . 1 1 4 4 G H3' H . . 1 . 4 G H3' rr_1ekd 1
71 1 . 1 . 1 1 8 8 C H6 H . . 1 . 8 C3' H6 rr_1ekd 1
71 1 . 2 . 1 1 7 7 C H2' H . . 1 . 7 C H2' rr_1ekd 1
72 1 . 1 . 1 1 7 7 C H6 H . . 1 . 7 C H6 rr_1ekd 1
72 1 . 2 . 1 1 7 7 C H3' H . . 1 . 7 C H3' rr_1ekd 1
73 1 . 1 . 1 1 3 3 C H6 H . . 1 . 3 C H6 rr_1ekd 1
73 1 . 2 . 1 1 2 2 G H2' H . . 1 . 2 G H2' rr_1ekd 1
74 1 . 1 . 1 1 3 3 C H6 H . . 1 . 3 C H6 rr_1ekd 1
74 1 . 2 . 1 1 3 3 C H3' H . . 1 . 3 C H3' rr_1ekd 1
75 1 . 1 . 1 1 7 7 C H6 H . . 1 . 7 C H6 rr_1ekd 1
75 1 . 2 . 1 1 6 6 G H2' H . . 1 . 6 G H2' rr_1ekd 1
76 1 . 1 . 1 1 7 7 C H6 H . . 1 . 7 C H6 rr_1ekd 1
76 1 . 2 . 1 1 6 6 G H3' H . . 1 . 6 G H3' rr_1ekd 1
77 1 . 1 . 1 1 5 5 U H6 H . . 1 . 5 U H6 rr_1ekd 1
77 1 . 2 . 1 1 5 5 U H3' H . . 1 . 5 U H3' rr_1ekd 1
78 1 . 1 . 1 1 3 3 C H6 H . . 1 . 3 C H6 rr_1ekd 1
78 1 . 2 . 1 1 3 3 C H2' H . . 1 . 3 C H2' rr_1ekd 1
79 1 . 1 . 1 1 4 4 G H8 H . . 1 . 4 G H8 rr_1ekd 1
79 1 . 2 . 1 1 4 4 G H3' H . . 1 . 4 G H3' rr_1ekd 1
80 1 . 1 . 1 1 4 4 G H8 H . . 1 . 4 G H8 rr_1ekd 1
80 1 . 2 . 1 1 4 4 G H5'' H . . 1 . 4 G H5'2 rr_1ekd 1
81 1 . 1 . 1 1 4 4 G H8 H . . 1 . 4 G H8 rr_1ekd 1
81 1 . 2 . 1 1 4 4 G H5' H . . 1 . 4 G H5'1 rr_1ekd 1
82 1 . 1 . 1 1 4 4 G H8 H . . 1 . 4 G H8 rr_1ekd 1
82 1 . 2 . 1 1 4 4 G H2' H . . 1 . 4 G H2' rr_1ekd 1
83 1 . 1 . 1 1 2 2 G H8 H . . 1 . 2 G H8 rr_1ekd 1
83 1 . 2 . 1 1 2 2 G H5' H . . 1 . 2 G H5'1 rr_1ekd 1
84 1 . 1 . 1 1 5 5 U H6 H . . 1 . 5 U H6 rr_1ekd 1
84 1 . 2 . 1 1 4 4 G H2' H . . 1 . 4 G H2' rr_1ekd 1
85 1 . 1 . 1 1 6 6 G H8 H . . 1 . 6 G H8 rr_1ekd 1
85 1 . 2 . 1 1 6 6 G H5' H . . 1 . 6 G H5'1 rr_1ekd 1
86 1 . 1 . 1 1 8 8 C H5 H . . 1 . 8 C3' H5 rr_1ekd 1
86 1 . 2 . 1 1 7 7 C H5 H . . 1 . 7 C H5 rr_1ekd 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 . . . . . . . 2.245 4.169 rr_1ekd 1
2 1 . . . . . . . 2.372 4.406 rr_1ekd 1
3 1 . . . . . . . 2.401 4.458 rr_1ekd 1
4 1 . . . . . . . 2.663 4.946 rr_1ekd 1
5 1 . . . . . . . 2.328 4.323 rr_1ekd 1
6 1 . . . . . . . 2.658 4.936 rr_1ekd 1
7 1 . . . . . . . 2.188 4.063 rr_1ekd 1
8 1 . . . . . . . 2.238 4.156 rr_1ekd 1
9 1 . . . . . . . 2.313 4.296 rr_1ekd 1
10 1 . . . . . . . 2.295 4.262 rr_1ekd 1
11 1 . . . . . . . 1.780 3.305 rr_1ekd 1
12 1 . . . . . . . 1.700 3.157 rr_1ekd 1
13 1 . . . . . . . 1.677 3.114 rr_1ekd 1
14 1 . . . . . . . 1.583 2.940 rr_1ekd 1
15 1 . . . . . . . 2.533 4.705 rr_1ekd 1
16 1 . . . . . . . 3.048 5.661 rr_1ekd 1
17 1 . . . . . . . 2.387 4.433 rr_1ekd 1
18 1 . . . . . . . 1.697 3.151 rr_1ekd 1
19 1 . . . . . . . 1.600 4.043 rr_1ekd 1
20 1 . . . . . . . 2.841 5.276 rr_1ekd 1
21 1 . . . . . . . 2.015 3.742 rr_1ekd 1
22 1 . . . . . . . 1.600 6.000 rr_1ekd 1
23 1 . . . . . . . 1.600 6.000 rr_1ekd 1
24 1 . . . . . . . 1.600 4.181 rr_1ekd 1
25 1 . . . . . . . 2.088 3.877 rr_1ekd 1
26 1 . . . . . . . 2.027 3.764 rr_1ekd 1
27 1 . . . . . . . 2.138 3.971 rr_1ekd 1
28 1 . . . . . . . 1.710 3.176 rr_1ekd 1
29 1 . . . . . . . 2.463 6.000 rr_1ekd 1
30 1 . . . . . . . 2.463 6.000 rr_1ekd 1
31 1 . . . . . . . 2.300 4.271 rr_1ekd 1
32 1 . . . . . . . 2.228 4.137 rr_1ekd 1
33 1 . . . . . . . 1.833 3.404 rr_1ekd 1
34 1 . . . . . . . 2.170 4.029 rr_1ekd 1
35 1 . . . . . . . 2.040 3.789 rr_1ekd 1
36 1 . . . . . . . 1.750 3.250 rr_1ekd 1
37 1 . . . . . . . 1.714 4.500 rr_1ekd 1
38 1 . . . . . . . 1.891 4.500 rr_1ekd 1
39 1 . . . . . . . 2.544 4.725 rr_1ekd 1
40 1 . . . . . . . 1.777 3.300 rr_1ekd 1
41 1 . . . . . . . 2.150 3.994 rr_1ekd 1
42 1 . . . . . . . 2.284 4.241 rr_1ekd 1
43 1 . . . . . . . 2.532 4.703 rr_1ekd 1
44 1 . . . . . . . 2.178 6.000 rr_1ekd 1
45 1 . . . . . . . 2.178 6.000 rr_1ekd 1
46 1 . . . . . . . 2.126 6.000 rr_1ekd 1
47 1 . . . . . . . 2.126 6.000 rr_1ekd 1
48 1 . . . . . . . 1.600 4.395 rr_1ekd 1
49 1 . . . . . . . 2.165 4.022 rr_1ekd 1
50 1 . . . . . . . 2.000 6.000 rr_1ekd 1
51 1 . . . . . . . 2.000 6.000 rr_1ekd 1
52 1 . . . . . . . 2.873 5.335 rr_1ekd 1
53 1 . . . . . . . 2.592 4.814 rr_1ekd 1
54 1 . . . . . . . 3.013 5.595 rr_1ekd 1
55 1 . . . . . . . 1.796 3.336 rr_1ekd 1
56 1 . . . . . . . 1.794 6.000 rr_1ekd 1
57 1 . . . . . . . 1.794 6.000 rr_1ekd 1
58 1 . . . . . . . 1.794 6.000 rr_1ekd 1
59 1 . . . . . . . 2.202 4.090 rr_1ekd 1
60 1 . . . . . . . 1.990 3.697 rr_1ekd 1
61 1 . . . . . . . 2.411 4.478 rr_1ekd 1
62 1 . . . . . . . 2.007 3.727 rr_1ekd 1
63 1 . . . . . . . 1.840 3.418 rr_1ekd 1
64 1 . . . . . . . 1.716 6.000 rr_1ekd 1
65 1 . . . . . . . 1.716 6.000 rr_1ekd 1
66 1 . . . . . . . 1.873 3.479 rr_1ekd 1
67 1 . . . . . . . 1.659 3.081 rr_1ekd 1
68 1 . . . . . . . 1.924 3.572 rr_1ekd 1
69 1 . . . . . . . 1.661 3.084 rr_1ekd 1
70 1 . . . . . . . 1.793 3.330 rr_1ekd 1
71 1 . . . . . . . 1.696 3.150 rr_1ekd 1
72 1 . . . . . . . 1.659 3.080 rr_1ekd 1
73 1 . . . . . . . 1.497 4.500 rr_1ekd 1
74 1 . . . . . . . 1.497 6.000 rr_1ekd 1
75 1 . . . . . . . 1.600 6.000 rr_1ekd 1
76 1 . . . . . . . 1.600 6.000 rr_1ekd 1
77 1 . . . . . . . 1.600 6.000 rr_1ekd 1
78 1 . . . . . . . 1.600 6.000 rr_1ekd 1
79 1 . . . . . . . 1.829 6.000 rr_1ekd 1
80 1 . . . . . . . 1.829 4.500 rr_1ekd 1
81 1 . . . . . . . 2.189 4.065 rr_1ekd 1
82 1 . . . . . . . 1.600 6.000 rr_1ekd 1
83 1 . . . . . . . 2.304 4.279 rr_1ekd 1
84 1 . . . . . . . 1.600 6.000 rr_1ekd 1
85 1 . . . . . . . 2.293 4.258 rr_1ekd 1
86 1 . . . . . . . 2.669 4.957 rr_1ekd 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
the walk region
;
1 1 2 16 rr_1ekd 1
2 "1:C3'_8:H5 1:G5'_1B:H8 2.677 4.972 25.000 25.000 1000.000" 19 1 20 75 rr_1ekd 1
3 "H1'_H2' region" 22 1 23 16 rr_1ekd 1
4 "base _sugar region" 62 1 63 19 rr_1ekd 1
5 "The second strand begins here!" 98 1 98 32 rr_1ekd 1
6 "H1'_H2' region" 117 1 118 16 rr_1ekd 1
7 "base _sugar region" 157 1 158 19 rr_1ekd 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 87 1 "Not handling restraint 87, item 1, resonance(s) 'B.1.H1'' (nmrStar names),'B.1.H8' (nmrStar names) not linked" rr_1ekd 1
2 2 88 1 "Not handling restraint 88, item 1, resonance(s) 'B.2.H1'' (nmrStar names),'B.2.H8' (nmrStar names) not linked" rr_1ekd 1
3 2 89 1 "Not handling restraint 89, item 1, resonance(s) 'B.3.H1'' (nmrStar names),'B.3.H6' (nmrStar names) not linked" rr_1ekd 1
4 2 90 1 "Not handling restraint 90, item 1, resonance(s) 'B.3.H1'' (nmrStar names),'B.4.H8' (nmrStar names) not linked" rr_1ekd 1
5 2 91 1 "Not handling restraint 91, item 1, resonance(s) 'B.4.H8' (nmrStar names),'B.4.H1'' (nmrStar names) not linked" rr_1ekd 1
6 2 92 1 "Not handling restraint 92, item 1, resonance(s) 'B.4.H1'' (nmrStar names),'B.5.H6' (nmrStar names) not linked" rr_1ekd 1
7 2 93 1 "Not handling restraint 93, item 1, resonance(s) 'B.5.H6' (nmrStar names),'B.5.H1'' (nmrStar names) not linked" rr_1ekd 1
8 2 94 1 "Not handling restraint 94, item 1, resonance(s) 'B.5.H1'' (nmrStar names),'B.6.H8' (nmrStar names) not linked" rr_1ekd 1
9 2 95 1 "Not handling restraint 95, item 1, resonance(s) 'B.6.H8' (nmrStar names),'B.6.H1'' (nmrStar names) not linked" rr_1ekd 1
10 2 96 1 "Not handling restraint 96, item 1, resonance(s) 'B.8.H1'' (nmrStar names),'B.8.H6' (nmrStar names) not linked" rr_1ekd 1
11 2 97 1 "Not handling restraint 97, item 1, resonance(s) 'B.5.H6' (nmrStar names),'B.5.H5' (nmrStar names) not linked" rr_1ekd 1
12 2 98 1 "Not handling restraint 98, item 1, resonance(s) 'B.3.H6' (nmrStar names),'B.3.H5' (nmrStar names) not linked" rr_1ekd 1
13 2 99 1 "Not handling restraint 99, item 1, resonance(s) 'B.7.H5' (nmrStar names),'B.7.H6' (nmrStar names) not linked" rr_1ekd 1
14 2 100 1 "Not handling restraint 100, item 1, resonance(s) 'B.8.H6' (nmrStar names),'B.8.H5' (nmrStar names) not linked" rr_1ekd 1
15 2 101 1 "Not handling restraint 101, item 1, resonance(s) 'B.4.H8' (nmrStar names),'B.5.H5' (nmrStar names) not linked" rr_1ekd 1
16 2 102 1 "Not handling restraint 102, item 1, resonance(s) 'B.2.H8' (nmrStar names),'B.3.H5' (nmrStar names) not linked" rr_1ekd 1
17 2 103 1 "Not handling restraint 103, item 1, resonance(s) 'B.6.H8' (nmrStar names),'B.7.H5' (nmrStar names) not linked" rr_1ekd 1
18 2 104 1 "Not handling restraint 104, item 1, resonance(s) 'B.2.H1'' (nmrStar names),'B.2.H2'' (nmrStar names) not linked" rr_1ekd 1
19 2 105 1 "Not handling restraint 105, item 1, resonance(s) 'B.2.H1'' (nmrStar names),'B.2.H3'' (nmrStar names) not linked" rr_1ekd 1
20 2 106 1 "Not handling restraint 106, item 1, resonance(s) 'B.2.H1'' (nmrStar names),'B.1.H2'' (nmrStar names) not linked" rr_1ekd 1
21 2 107 1 "Not handling restraint 107, item 1, resonance(s) 'B.6.H1'' (nmrStar names),'B.6.H4'' (nmrStar names) not linked" rr_1ekd 1
22 2 108 1 "Not handling restraint 108, item 1, resonance(s) 'B.6.H1'' (nmrStar names),'B.6.H2'' (nmrStar names) not linked" rr_1ekd 1
23 2 109 1 "Not handling restraint 109, item 1, resonance(s) 'B.6.H1'' (nmrStar names),'B.6.H3'' (nmrStar names) not linked" rr_1ekd 1
24 2 110 1 "Not handling restraint 110, item 1, resonance(s) 'B.4.H1'' (nmrStar names),'B.4.H2'' (nmrStar names) not linked" rr_1ekd 1
25 2 111 1 "Not handling restraint 111, item 1, resonance(s) 'B.4.H1'' (nmrStar names),'B.4.H3'' (nmrStar names) not linked" rr_1ekd 1
26 2 112 1 "Not handling restraint 112, item 1, resonance(s) 'B.4.H1'' (nmrStar names),'B.4.H4'' (nmrStar names) not linked" rr_1ekd 1
27 2 113 1 "Not handling restraint 113, item 1, resonance(s) 'B.4.H1'' (nmrStar names),'B.3.H2'' (nmrStar names) not linked" rr_1ekd 1
28 2 114 1 "Not handling restraint 114, item 1, resonance(s) 'B.8.H1'' (nmrStar names),'B.8.H2'' (nmrStar names) not linked" rr_1ekd 1
29 2 115 1 "Not handling restraint 115, item 1, resonance(s) 'B.8.H1'' (nmrStar names),'B.8.H4'' (nmrStar names) not linked" rr_1ekd 1
30 2 116 1 "Not handling restraint 116, item 1, resonance(s) 'B.8.H1'' (nmrStar names),'B.7.H2'' (nmrStar names) not linked" rr_1ekd 1
31 2 117 1 "Not handling restraint 117, item 1, resonance(s) 'B.1.H1'' (nmrStar names),'B.1.H4'' (nmrStar names) not linked" rr_1ekd 1
32 2 118 1 "Not handling restraint 118, item 1, resonance(s) 'B.1.H1'' (nmrStar names),'B.1.H3'' (nmrStar names) not linked" rr_1ekd 1
33 2 119 1 "Not handling restraint 119, item 1, resonance(s) 'B.1.H1'' (nmrStar names),'B.1.H2'' (nmrStar names) not linked" rr_1ekd 1
34 2 120 1 "Not handling restraint 120, item 1, resonance(s) 'B.3.H1'' (nmrStar names),'B.3.H4'' (nmrStar names) not linked" rr_1ekd 1
35 2 121 1 "Not handling restraint 121, item 1, resonance(s) 'B.3.H1'' (nmrStar names),'B.3.H3'' (nmrStar names) not linked" rr_1ekd 1
36 2 122 1 "Not handling restraint 122, item 1, resonance(s) 'B.3.H1'' (nmrStar names),'B.3.H2'' (nmrStar names) not linked" rr_1ekd 1
37 2 123 1 "Not handling restraint 123, item 1, resonance(s) 'B.7.H2'' (nmrStar names),'B.7.H1'' (nmrStar names) not linked" rr_1ekd 1
38 2 124 1 "Not handling restraint 124, item 1, resonance(s) 'B.7.H1'' (nmrStar names),'B.7.H3'' (nmrStar names) not linked" rr_1ekd 1
39 2 125 1 "Not handling restraint 125, item 1, resonance(s) 'B.6.H2'' (nmrStar names),'B.7.H1'' (nmrStar names) not linked" rr_1ekd 1
40 2 126 1 "Not handling restraint 126, item 1, resonance(s) 'B.5.H1'' (nmrStar names),'B.5.H2'' (nmrStar names) not linked" rr_1ekd 1
41 2 127 1 "Not handling restraint 127, item 1, resonance(s) 'B.5.H1'' (nmrStar names),'B.5.H4'' (nmrStar names) not linked" rr_1ekd 1
42 2 128 1 "Not handling restraint 128, item 1, resonance(s) 'B.5.H1'' (nmrStar names),'B.5.H3'' (nmrStar names) not linked" rr_1ekd 1
43 2 129 1 "Not handling restraint 129, item 1, resonance(s) 'B.7.H5' (nmrStar names),'B.7.H3'' (nmrStar names) not linked" rr_1ekd 1
44 2 130 1 "Not handling restraint 130, item 1, resonance(s) 'B.3.H5' (nmrStar names),'B.2.H2'' (nmrStar names) not linked" rr_1ekd 1
45 2 131 1 "Not handling restraint 131, item 1, resonance(s) 'B.3.H5' (nmrStar names),'B.3.H3'' (nmrStar names) not linked" rr_1ekd 1
46 2 132 1 "Not handling restraint 132, item 1, resonance(s) 'B.7.H5' (nmrStar names),'B.6.H2'' (nmrStar names) not linked" rr_1ekd 1
47 2 133 1 "Not handling restraint 133, item 1, resonance(s) 'B.7.H5' (nmrStar names),'B.6.H3'' (nmrStar names) not linked" rr_1ekd 1
48 2 134 1 "Not handling restraint 134, item 1, resonance(s) 'B.3.H5' (nmrStar names),'B.2.H3'' (nmrStar names) not linked" rr_1ekd 1
49 2 135 1 "Not handling restraint 135, item 1, resonance(s) 'B.5.H5' (nmrStar names),'B.4.H3'' (nmrStar names) not linked" rr_1ekd 1
50 2 136 1 "Not handling restraint 136, item 1, resonance(s) 'B.8.H5' (nmrStar names),'B.7.H2'' (nmrStar names) not linked" rr_1ekd 1
51 2 137 1 "Not handling restraint 137, item 1, resonance(s) 'B.8.H5' (nmrStar names),'B.7.H3'' (nmrStar names) not linked" rr_1ekd 1
52 2 138 1 "Not handling restraint 138, item 1, resonance(s) 'B.3.H1'' (nmrStar names),'B.4.H5'1' (nmrStar names) not linked" rr_1ekd 1
53 2 139 1 "Not handling restraint 139, item 1, resonance(s) 'B.8.H1'' (nmrStar names),'B.8.H5'1' (nmrStar names) not linked" rr_1ekd 1
54 2 140 1 "Not handling restraint 140, item 1, resonance(s) 'B.2.H1'' (nmrStar names),'B.2.H4'' (nmrStar names) not linked" rr_1ekd 1
55 2 141 1 "Not handling restraint 141, item 1, resonance(s) 'B.6.H8' (nmrStar names),'B.5.H2'' (nmrStar names) not linked" rr_1ekd 1
56 2 142 1 "Not handling restraint 142, item 1, resonance(s) 'B.6.H8' (nmrStar names),'B.5.H3'' (nmrStar names) not linked" rr_1ekd 1
57 2 143 1 "Not handling restraint 143, item 1, resonance(s) 'B.6.H8' (nmrStar names),'B.6.H2'' (nmrStar names) not linked" rr_1ekd 1
58 2 144 1 "Not handling restraint 144, item 1, resonance(s) 'B.6.H8' (nmrStar names),'B.6.H3'' (nmrStar names) not linked" rr_1ekd 1
59 2 145 1 "Not handling restraint 145, item 1, resonance(s) 'B.1.H8' (nmrStar names),'B.1.H5'1' (nmrStar names) not linked" rr_1ekd 1
60 2 146 1 "Not handling restraint 146, item 1, resonance(s) 'B.1.H8' (nmrStar names),'B.1.H3'' (nmrStar names) not linked" rr_1ekd 1
61 2 147 1 "Not handling restraint 147, item 1, resonance(s) 'B.1.H8' (nmrStar names),'B.1.H2'' (nmrStar names) not linked" rr_1ekd 1
62 2 148 1 "Not handling restraint 148, item 1, resonance(s) 'B.4.H8' (nmrStar names),'B.3.H3'' (nmrStar names) not linked" rr_1ekd 1
63 2 149 1 "Not handling restraint 149, item 1, resonance(s) 'B.4.H8' (nmrStar names),'B.3.H2'' (nmrStar names) not linked" rr_1ekd 1
64 2 150 1 "Not handling restraint 150, item 1, resonance(s) 'B.2.H8' (nmrStar names),'B.2.H2'' (nmrStar names) not linked" rr_1ekd 1
65 2 151 1 "Not handling restraint 151, item 1, resonance(s) 'B.2.H8' (nmrStar names),'B.1.H3'' (nmrStar names) not linked" rr_1ekd 1
66 2 152 1 "Not handling restraint 152, item 1, resonance(s) 'B.2.H8' (nmrStar names),'B.2.H3'' (nmrStar names) not linked" rr_1ekd 1
67 2 153 1 "Not handling restraint 153, item 1, resonance(s) 'B.2.H8' (nmrStar names),'B.1.H2'' (nmrStar names) not linked" rr_1ekd 1
68 2 154 1 "Not handling restraint 154, item 1, resonance(s) 'B.8.H6' (nmrStar names),'B.8.H2'' (nmrStar names) not linked" rr_1ekd 1
69 2 155 1 "Not handling restraint 155, item 1, resonance(s) 'B.8.H6' (nmrStar names),'B.8.H3'' (nmrStar names) not linked" rr_1ekd 1
70 2 156 1 "Not handling restraint 156, item 1, resonance(s) 'B.5.H6' (nmrStar names),'B.4.H3'' (nmrStar names) not linked" rr_1ekd 1
71 2 157 1 "Not handling restraint 157, item 1, resonance(s) 'B.8.H6' (nmrStar names),'B.7.H2'' (nmrStar names) not linked" rr_1ekd 1
72 2 158 1 "Not handling restraint 158, item 1, resonance(s) 'B.7.H6' (nmrStar names),'B.7.H3'' (nmrStar names) not linked" rr_1ekd 1
73 2 159 1 "Not handling restraint 159, item 1, resonance(s) 'B.3.H6' (nmrStar names),'B.2.H2'' (nmrStar names) not linked" rr_1ekd 1
74 2 160 1 "Not handling restraint 160, item 1, resonance(s) 'B.3.H6' (nmrStar names),'B.3.H3'' (nmrStar names) not linked" rr_1ekd 1
75 2 161 1 "Not handling restraint 161, item 1, resonance(s) 'B.7.H6' (nmrStar names),'B.6.H2'' (nmrStar names) not linked" rr_1ekd 1
76 2 162 1 "Not handling restraint 162, item 1, resonance(s) 'B.7.H6' (nmrStar names),'B.6.H3'' (nmrStar names) not linked" rr_1ekd 1
77 2 163 1 "Not handling restraint 163, item 1, resonance(s) 'B.5.H6' (nmrStar names),'B.5.H3'' (nmrStar names) not linked" rr_1ekd 1
78 2 164 1 "Not handling restraint 164, item 1, resonance(s) 'B.3.H6' (nmrStar names),'B.3.H2'' (nmrStar names) not linked" rr_1ekd 1
79 2 165 1 "Not handling restraint 165, item 1, resonance(s) 'B.4.H8' (nmrStar names),'B.4.H3'' (nmrStar names) not linked" rr_1ekd 1
80 2 166 1 "Not handling restraint 166, item 1, resonance(s) 'B.4.H8' (nmrStar names),'B.4.H5'2' (nmrStar names) not linked" rr_1ekd 1
81 2 167 1 "Not handling restraint 167, item 1, resonance(s) 'B.4.H8' (nmrStar names),'B.4.H5'1' (nmrStar names) not linked" rr_1ekd 1
82 2 168 1 "Not handling restraint 168, item 1, resonance(s) 'B.4.H8' (nmrStar names),'B.4.H2'' (nmrStar names) not linked" rr_1ekd 1
83 2 169 1 "Not handling restraint 169, item 1, resonance(s) 'B.2.H8' (nmrStar names),'B.2.H5'1' (nmrStar names) not linked" rr_1ekd 1
84 2 170 1 "Not handling restraint 170, item 1, resonance(s) 'B.5.H6' (nmrStar names),'B.4.H2'' (nmrStar names) not linked" rr_1ekd 1
85 2 171 1 "Not handling restraint 171, item 1, resonance(s) 'B.6.H8' (nmrStar names),'B.6.H5'1' (nmrStar names) not linked" rr_1ekd 1
86 2 172 1 "Not handling restraint 172, item 1, resonance(s) 'B.7.H5' (nmrStar names),'B.8.H5' (nmrStar names) not linked" rr_1ekd 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_1ekd
_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_1ekd 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
;Hydrogen Restraints
G_C Watson_Crick big atom restraints
;
1 1 5 1 rr_1ekd 2
2
;*********
G_U Mismatch 1:G_4:O6 1:U_5B:N3 2.76 3.05 100 100 1000
;
25 1 28 72 rr_1ekd 2
3 "1:U_5:N3 1:G_4B:O6 2.76 3.05 100 100 1000" 30 1 31 72 rr_1ekd 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_1ekd 2
2 3 2 1 "Not handling restraint 2, item 1, resonance(s) 'B.8.N3' (nmrStar names) not linked" rr_1ekd 2
3 3 3 1 "Not handling restraint 3, item 1, resonance(s) 'B.8.O2' (nmrStar names) not linked" rr_1ekd 2
4 3 4 1 "Not handling restraint 4, item 1, resonance(s) 'B.7.N4' (nmrStar names) not linked" rr_1ekd 2
5 3 5 1 "Not handling restraint 5, item 1, resonance(s) 'B.7.N3' (nmrStar names) not linked" rr_1ekd 2
6 3 6 1 "Not handling restraint 6, item 1, resonance(s) 'B.7.O2' (nmrStar names) not linked" rr_1ekd 2
7 3 7 1 "Not handling restraint 7, item 1, resonance(s) 'B.3.N4' (nmrStar names) not linked" rr_1ekd 2
8 3 8 1 "Not handling restraint 8, item 1, resonance(s) 'B.3.N3' (nmrStar names) not linked" rr_1ekd 2
9 3 9 1 "Not handling restraint 9, item 1, resonance(s) 'B.3.O2' (nmrStar names) not linked" rr_1ekd 2
10 3 10 1 "Not handling restraint 10, item 1, resonance(s) 'B.1.O6' (nmrStar names) not linked" rr_1ekd 2
11 3 11 1 "Not handling restraint 11, item 1, resonance(s) 'B.1.N1' (nmrStar names) not linked" rr_1ekd 2
12 3 12 1 "Not handling restraint 12, item 1, resonance(s) 'B.1.N2' (nmrStar names) not linked" rr_1ekd 2
13 3 13 1 "Not handling restraint 13, item 1, resonance(s) 'B.2.O6' (nmrStar names) not linked" rr_1ekd 2
14 3 14 1 "Not handling restraint 14, item 1, resonance(s) 'B.2.N1' (nmrStar names) not linked" rr_1ekd 2
15 3 15 1 "Not handling restraint 15, item 1, resonance(s) 'B.2.N2' (nmrStar names) not linked" rr_1ekd 2
16 3 16 1 "Not handling restraint 16, item 1, resonance(s) 'B.6.O6' (nmrStar names) not linked" rr_1ekd 2
17 3 17 1 "Not handling restraint 17, item 1, resonance(s) 'B.6.N1' (nmrStar names) not linked" rr_1ekd 2
18 3 18 1 "Not handling restraint 18, item 1, resonance(s) 'B.6.N2' (nmrStar names) not linked" rr_1ekd 2
19 3 19 1 "Not handling restraint 19, item 1, resonance(s) 'B.5.O2' (nmrStar names) not linked" rr_1ekd 2
20 3 20 1 "Not handling restraint 20, item 1, resonance(s) 'B.4.N1' (nmrStar names) not linked" rr_1ekd 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_1ekd
_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_1ekd 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 G P P . . 1 1 2 2 G O5' O . . 1 1 2 2 G C5' C . -150.0 150.0 . . . A . 1 G O3' . . A . 2 G P . . A . 2 G O5' . . A . 2 G C5' . 1 . 1 G5' O3' . . . 1 . 2 G P . . . 1 . 2 G O5' . . . 1 . 2 G C5' . . rr_1ekd 1
2 . . 1 1 2 2 G O3' O . . 1 1 3 3 C P P . . 1 1 3 3 C O5' O . . 1 1 3 3 C C5' C . -150.0 150.0 . . . A . 2 G O3' . . A . 3 C P . . A . 3 C O5' . . A . 3 C C5' . 1 . 2 G O3' . . . 1 . 3 C P . . . 1 . 3 C O5' . . . 1 . 3 C C5' . . rr_1ekd 1
3 . . 1 1 3 3 C O3' O . . 1 1 4 4 G P P . . 1 1 4 4 G O5' O . . 1 1 4 4 G C5' C . -150.0 150.0 . . . A . 3 C O3' . . A . 4 G P . . A . 4 G O5' . . A . 4 G C5' . 1 . 3 C O3' . . . 1 . 4 G P . . . 1 . 4 G O5' . . . 1 . 4 G C5' . . rr_1ekd 1
4 . . 1 1 4 4 G O3' O . . 1 1 5 5 U P P . . 1 1 5 5 U O5' O . . 1 1 5 5 U C5' C . -150.0 150.0 . . . A . 4 G O3' . . A . 5 U P . . A . 5 U O5' . . A . 5 U C5' . 1 . 4 G O3' . . . 1 . 5 U P . . . 1 . 5 U O5' . . . 1 . 5 U C5' . . rr_1ekd 1
5 . . 1 1 5 5 U O3' O . . 1 1 6 6 G P P . . 1 1 6 6 G O5' O . . 1 1 6 6 G C5' C . -150.0 150.0 . . . A . 5 U O3' . . A . 6 G P . . A . 6 G O5' . . A . 6 G C5' . 1 . 5 U O3' . . . 1 . 6 G P . . . 1 . 6 G O5' . . . 1 . 6 G C5' . . rr_1ekd 1
6 . . 1 1 6 6 G O3' O . . 1 1 7 7 C P P . . 1 1 7 7 C O5' O . . 1 1 7 7 C C5' C . -150.0 150.0 . . . A . 6 G O3' . . A . 7 C P . . A . 7 C O5' . . A . 7 C C5' . 1 . 6 G O3' . . . 1 . 7 C P . . . 1 . 7 C O5' . . . 1 . 7 C C5' . . rr_1ekd 1
7 . . 1 1 7 7 C 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 C O3' . . A . 8 C P . . A . 8 C O5' . . A . 8 C C5' . 1 . 7 C O3' . . . 1 . 8 C3' P . . . 1 . 8 C3' O5' . . . 1 . 8 C3' C5' . . rr_1ekd 1
8 . . 1 1 2 2 G P P . . 1 1 2 2 G O5' O . . 1 1 2 2 G C5' C . . 1 1 2 2 G C4' C . 150.0 210.0 . . . A . 2 G P . . A . 2 G O5' . . A . 2 G C5' . . A . 2 G C4' . 1 . 2 G P . . . 1 . 2 G O5' . . . 1 . 2 G C5' . . . 1 . 2 G C4' . . rr_1ekd 1
9 . . 1 1 3 3 C P P . . 1 1 3 3 C O5' O . . 1 1 3 3 C C5' C . . 1 1 3 3 C C4' C . 150.0 210.0 . . . A . 3 C P . . A . 3 C O5' . . A . 3 C C5' . . A . 3 C C4' . 1 . 3 C P . . . 1 . 3 C O5' . . . 1 . 3 C C5' . . . 1 . 3 C C4' . . rr_1ekd 1
10 . . 1 1 4 4 G P P . . 1 1 4 4 G O5' O . . 1 1 4 4 G C5' C . . 1 1 4 4 G C4' C . 150.0 210.0 . . . A . 4 G P . . A . 4 G O5' . . A . 4 G C5' . . A . 4 G C4' . 1 . 4 G P . . . 1 . 4 G O5' . . . 1 . 4 G C5' . . . 1 . 4 G C4' . . rr_1ekd 1
11 . . 1 1 5 5 U P P . . 1 1 5 5 U O5' O . . 1 1 5 5 U C5' C . . 1 1 5 5 U C4' C . 150.0 210.0 . . . A . 5 U P . . A . 5 U O5' . . A . 5 U C5' . . A . 5 U C4' . 1 . 5 U P . . . 1 . 5 U O5' . . . 1 . 5 U C5' . . . 1 . 5 U C4' . . rr_1ekd 1
12 . . 1 1 6 6 G P P . . 1 1 6 6 G O5' O . . 1 1 6 6 G C5' C . . 1 1 6 6 G C4' C . 150.0 210.0 . . . A . 6 G P . . A . 6 G O5' . . A . 6 G C5' . . A . 6 G C4' . 1 . 6 G P . . . 1 . 6 G O5' . . . 1 . 6 G C5' . . . 1 . 6 G C4' . . rr_1ekd 1
13 . . 1 1 7 7 C P P . . 1 1 7 7 C O5' O . . 1 1 7 7 C C5' C . . 1 1 7 7 C C4' C . 150.0 210.0 . . . A . 7 C P . . A . 7 C O5' . . A . 7 C C5' . . A . 7 C C4' . 1 . 7 C P . . . 1 . 7 C O5' . . . 1 . 7 C C5' . . . 1 . 7 C C4' . . rr_1ekd 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_1ekd 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_1ekd 1
16 . . 1 1 2 2 G O5' O . . 1 1 2 2 G C5' C . . 1 1 2 2 G C4' C . . 1 1 2 2 G C3' C . 30.0 90.0 . . . A . 2 G O5' . . A . 2 G C5' . . A . 2 G C4' . . A . 2 G C3' . 1 . 2 G O5' . . . 1 . 2 G C5' . . . 1 . 2 G C4' . . . 1 . 2 G C3' . . rr_1ekd 1
17 . . 1 1 3 3 C O5' O . . 1 1 3 3 C C5' C . . 1 1 3 3 C C4' C . . 1 1 3 3 C C3' C . 30.0 90.0 . . . A . 3 C O5' . . A . 3 C C5' . . A . 3 C C4' . . A . 3 C C3' . 1 . 3 C O5' . . . 1 . 3 C C5' . . . 1 . 3 C C4' . . . 1 . 3 C C3' . . rr_1ekd 1
18 . . 1 1 4 4 G O5' O . . 1 1 4 4 G C5' C . . 1 1 4 4 G C4' C . . 1 1 4 4 G C3' C . 30.0 90.0 . . . A . 4 G O5' . . A . 4 G C5' . . A . 4 G C4' . . A . 4 G C3' . 1 . 4 G O5' . . . 1 . 4 G C5' . . . 1 . 4 G C4' . . . 1 . 4 G C3' . . rr_1ekd 1
19 . . 1 1 5 5 U O5' O . . 1 1 5 5 U C5' C . . 1 1 5 5 U C4' C . . 1 1 5 5 U C3' C . 30.0 90.0 . . . A . 5 U O5' . . A . 5 U C5' . . A . 5 U C4' . . A . 5 U C3' . 1 . 5 U O5' . . . 1 . 5 U C5' . . . 1 . 5 U C4' . . . 1 . 5 U C3' . . rr_1ekd 1
20 . . 1 1 6 6 G O5' O . . 1 1 6 6 G C5' C . . 1 1 6 6 G C4' C . . 1 1 6 6 G C3' C . 30.0 90.0 . . . A . 6 G O5' . . A . 6 G C5' . . A . 6 G C4' . . A . 6 G C3' . 1 . 6 G O5' . . . 1 . 6 G C5' . . . 1 . 6 G C4' . . . 1 . 6 G C3' . . rr_1ekd 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_1ekd 1
22 . . 1 1 2 2 G C5' C . . 1 1 2 2 G C4' C . . 1 1 2 2 G C3' C . . 1 1 2 2 G O3' O . 70.0 110.0 . . . A . 2 G C5' . . A . 2 G C4' . . A . 2 G C3' . . A . 2 G O3' . 1 . 2 G C5' . . . 1 . 2 G C4' . . . 1 . 2 G C3' . . . 1 . 2 G O3' . . rr_1ekd 1
23 . . 1 1 3 3 C C5' C . . 1 1 3 3 C C4' C . . 1 1 3 3 C C3' C . . 1 1 3 3 C O3' O . 70.0 110.0 . . . A . 3 C C5' . . A . 3 C C4' . . A . 3 C C3' . . A . 3 C O3' . 1 . 3 C C5' . . . 1 . 3 C C4' . . . 1 . 3 C C3' . . . 1 . 3 C O3' . . rr_1ekd 1
24 . . 1 1 4 4 G C5' C . . 1 1 4 4 G C4' C . . 1 1 4 4 G C3' C . . 1 1 4 4 G O3' O . 70.0 110.0 . . . A . 4 G C5' . . A . 4 G C4' . . A . 4 G C3' . . A . 4 G O3' . 1 . 4 G C5' . . . 1 . 4 G C4' . . . 1 . 4 G C3' . . . 1 . 4 G O3' . . rr_1ekd 1
25 . . 1 1 5 5 U C5' C . . 1 1 5 5 U C4' C . . 1 1 5 5 U C3' C . . 1 1 5 5 U O3' O . 70.0 110.0 . . . A . 5 U C5' . . A . 5 U C4' . . A . 5 U C3' . . A . 5 U O3' . 1 . 5 U C5' . . . 1 . 5 U C4' . . . 1 . 5 U C3' . . . 1 . 5 U O3' . . rr_1ekd 1
26 . . 1 1 6 6 G C5' C . . 1 1 6 6 G C4' C . . 1 1 6 6 G C3' C . . 1 1 6 6 G O3' O . 70.0 110.0 . . . A . 6 G C5' . . A . 6 G C4' . . A . 6 G C3' . . A . 6 G O3' . 1 . 6 G C5' . . . 1 . 6 G C4' . . . 1 . 6 G C3' . . . 1 . 6 G O3' . . rr_1ekd 1
27 . . 1 1 7 7 C C5' C . . 1 1 7 7 C C4' C . . 1 1 7 7 C C3' C . . 1 1 7 7 C O3' O . 70.0 110.0 . . . A . 7 C C5' . . A . 7 C C4' . . A . 7 C C3' . . A . 7 C O3' . 1 . 7 C C5' . . . 1 . 7 C C4' . . . 1 . 7 C C3' . . . 1 . 7 C O3' . . rr_1ekd 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_1ekd 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 G P P . -160.0 -100.0 . . . A . 1 G C4' . . A . 1 G C3' . . A . 1 G O3' . . A . 2 G P . 1 . 1 G5' C4' . . . 1 . 1 G5' C3' . . . 1 . 1 G5' O3' . . . 1 . 2 G P . . rr_1ekd 1
30 . . 1 1 2 2 G C4' C . . 1 1 2 2 G C3' C . . 1 1 2 2 G O3' O . . 1 1 3 3 C P P . -160.0 -100.0 . . . A . 2 G C4' . . A . 2 G C3' . . A . 2 G O3' . . A . 3 C P . 1 . 2 G C4' . . . 1 . 2 G C3' . . . 1 . 2 G O3' . . . 1 . 3 C P . . rr_1ekd 1
31 . . 1 1 3 3 C C4' C . . 1 1 3 3 C C3' C . . 1 1 3 3 C O3' O . . 1 1 4 4 G P P . -160.0 -100.0 . . . A . 3 C C4' . . A . 3 C C3' . . A . 3 C O3' . . A . 4 G P . 1 . 3 C C4' . . . 1 . 3 C C3' . . . 1 . 3 C O3' . . . 1 . 4 G P . . rr_1ekd 1
32 . . 1 1 4 4 G C4' C . . 1 1 4 4 G C3' C . . 1 1 4 4 G O3' O . . 1 1 5 5 U P P . -160.0 -100.0 . . . A . 4 G C4' . . A . 4 G C3' . . A . 4 G O3' . . A . 5 U P . 1 . 4 G C4' . . . 1 . 4 G C3' . . . 1 . 4 G O3' . . . 1 . 5 U P . . rr_1ekd 1
33 . . 1 1 5 5 U C4' C . . 1 1 5 5 U C3' C . . 1 1 5 5 U O3' O . . 1 1 6 6 G P P . -160.0 -100.0 . . . A . 5 U C4' . . A . 5 U C3' . . A . 5 U O3' . . A . 6 G P . 1 . 5 U C4' . . . 1 . 5 U C3' . . . 1 . 5 U O3' . . . 1 . 6 G P . . rr_1ekd 1
34 . . 1 1 6 6 G C4' C . . 1 1 6 6 G C3' C . . 1 1 6 6 G O3' O . . 1 1 7 7 C P P . -160.0 -100.0 . . . A . 6 G C4' . . A . 6 G C3' . . A . 6 G O3' . . A . 7 C P . 1 . 6 G C4' . . . 1 . 6 G C3' . . . 1 . 6 G O3' . . . 1 . 7 C P . . rr_1ekd 1
35 . . 1 1 7 7 C C4' C . . 1 1 7 7 C C3' C . . 1 1 7 7 C O3' O . . 1 1 8 8 C P P . -160.0 -100.0 . . . A . 7 C C4' . . A . 7 C C3' . . A . 7 C O3' . . A . 8 C P . 1 . 7 C C4' . . . 1 . 7 C C3' . . . 1 . 7 C O3' . . . 1 . 8 C3' P . . rr_1ekd 1
36 . . 1 1 1 1 G C3' C . . 1 1 1 1 G O3' O . . 1 1 2 2 G P P . . 1 1 2 2 G O5' O . -150.0 150.0 . . . A . 1 G C3' . . A . 1 G O3' . . A . 2 G P . . A . 2 G O5' . 1 . 1 G5' C3' . . . 1 . 1 G5' O3' . . . 1 . 2 G P . . . 1 . 2 G O5' . . rr_1ekd 1
37 . . 1 1 2 2 G C3' C . . 1 1 2 2 G O3' O . . 1 1 3 3 C P P . . 1 1 3 3 C O5' O . -150.0 150.0 . . . A . 2 G C3' . . A . 2 G O3' . . A . 3 C P . . A . 3 C O5' . 1 . 2 G C3' . . . 1 . 2 G O3' . . . 1 . 3 C P . . . 1 . 3 C O5' . . rr_1ekd 1
38 . . 1 1 3 3 C C3' C . . 1 1 3 3 C O3' O . . 1 1 4 4 G P P . . 1 1 4 4 G O5' O . -150.0 150.0 . . . A . 3 C C3' . . A . 3 C O3' . . A . 4 G P . . A . 4 G O5' . 1 . 3 C C3' . . . 1 . 3 C O3' . . . 1 . 4 G P . . . 1 . 4 G O5' . . rr_1ekd 1
39 . . 1 1 4 4 G C3' C . . 1 1 4 4 G O3' O . . 1 1 5 5 U P P . . 1 1 5 5 U O5' O . -150.0 150.0 . . . A . 4 G C3' . . A . 4 G O3' . . A . 5 U P . . A . 5 U O5' . 1 . 4 G C3' . . . 1 . 4 G O3' . . . 1 . 5 U P . . . 1 . 5 U O5' . . rr_1ekd 1
40 . . 1 1 5 5 U C3' C . . 1 1 5 5 U O3' O . . 1 1 6 6 G P P . . 1 1 6 6 G O5' O . -150.0 150.0 . . . A . 5 U C3' . . A . 5 U O3' . . A . 6 G P . . A . 6 G O5' . 1 . 5 U C3' . . . 1 . 5 U O3' . . . 1 . 6 G P . . . 1 . 6 G O5' . . rr_1ekd 1
41 . . 1 1 6 6 G C3' C . . 1 1 6 6 G O3' O . . 1 1 7 7 C P P . . 1 1 7 7 C O5' O . -150.0 150.0 . . . A . 6 G C3' . . A . 6 G O3' . . A . 7 C P . . A . 7 C O5' . 1 . 6 G C3' . . . 1 . 6 G O3' . . . 1 . 7 C P . . . 1 . 7 C O5' . . rr_1ekd 1
42 . . 1 1 7 7 C C3' C . . 1 1 7 7 C O3' O . . 1 1 8 8 C P P . . 1 1 8 8 C O5' O . -150.0 150.0 . . . A . 7 C C3' . . A . 7 C O3' . . A . 8 C P . . A . 8 C O5' . 1 . 7 C C3' . . . 1 . 7 C O3' . . . 1 . 8 C3' P . . . 1 . 8 C3' O5' . . rr_1ekd 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_1ekd 1
44 . . 1 1 2 2 G O4' O . . 1 1 2 2 G C1' C . . 1 1 2 2 G N9 N . . 1 1 2 2 G C4 C . 150.0 210.0 . . . A . 2 G O4' . . A . 2 G C1' . . A . 2 G N9 . . A . 2 G C4 . 1 . 2 G O4' . . . 1 . 2 G C1' . . . 1 . 2 G N9 . . . 1 . 2 G C4 . . rr_1ekd 1
45 . . 1 1 3 3 C O4' O . . 1 1 3 3 C C1' C . . 1 1 3 3 C N1 N . . 1 1 3 3 C C2 C . 150.0 210.0 . . . A . 3 C O4' . . A . 3 C C1' . . A . 3 C N1 . . A . 3 C C2 . 1 . 3 C O4' . . . 1 . 3 C C1' . . . 1 . 3 C N1 . . . 1 . 3 C C2 . . rr_1ekd 1
46 . . 1 1 4 4 G O4' O . . 1 1 4 4 G C1' C . . 1 1 4 4 G N9 N . . 1 1 4 4 G C4 C . 150.0 210.0 . . . A . 4 G O4' . . A . 4 G C1' . . A . 4 G N9 . . A . 4 G C4 . 1 . 4 G O4' . . . 1 . 4 G C1' . . . 1 . 4 G N9 . . . 1 . 4 G C4 . . rr_1ekd 1
47 . . 1 1 5 5 U O4' O . . 1 1 5 5 U C1' C . . 1 1 5 5 U N1 N . . 1 1 5 5 U C2 C . 150.0 210.0 . . . A . 5 U O4' . . A . 5 U C1' . . A . 5 U N1 . . A . 5 U C2 . 1 . 5 U O4' . . . 1 . 5 U C1' . . . 1 . 5 U N1 . . . 1 . 5 U C2 . . rr_1ekd 1
48 . . 1 1 6 6 G O4' O . . 1 1 6 6 G C1' C . . 1 1 6 6 G N9 N . . 1 1 6 6 G C4 C . 150.0 210.0 . . . A . 6 G O4' . . A . 6 G C1' . . A . 6 G N9 . . A . 6 G C4 . 1 . 6 G O4' . . . 1 . 6 G C1' . . . 1 . 6 G N9 . . . 1 . 6 G C4 . . rr_1ekd 1
49 . . 1 1 7 7 C O4' O . . 1 1 7 7 C C1' C . . 1 1 7 7 C N1 N . . 1 1 7 7 C C2 C . 150.0 210.0 . . . A . 7 C O4' . . A . 7 C C1' . . A . 7 C N1 . . A . 7 C C2 . 1 . 7 C O4' . . . 1 . 7 C C1' . . . 1 . 7 C N1 . . . 1 . 7 C C2 . . rr_1ekd 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_1ekd 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_1ekd 1
2 Belta 10 1 10 6 rr_1ekd 1
3 Gamma 18 1 18 6 rr_1ekd 1
4
;1:C_7:O5' 1:C_7:C5' 1:C_7:C4' 1:C_7:C3' 30 90 25 25 1000
1:C3'_8:O5' 1:C3'_8:C5' 1:C3'_8:C4' 1:C3'_8:C3' 30 90 25 25 1000
Delta
;
25 1 27 6 rr_1ekd 1
5 Episilon 36 1 36 9 rr_1ekd 1
6 kesi 44 1 44 5 rr_1ekd 1
7 Chi 52 1 52 4 rr_1ekd 1
8 "second copy begins here alpha" 61 1 64 6 rr_1ekd 1
9 Belta 72 1 72 6 rr_1ekd 1
10 Gamma 80 1 80 6 rr_1ekd 1
11
;1:C_7B:O5' 1:C_7B:C5' 1:C_7B:C4' 1:C_7B:C3' 30 90 25 25 1000
1:C3'_8B:O5' 1:C3'_8B:C5' 1:C3'_8B:C4' 1:C3'_8B:C3' 30 90 25 25 1000
Delta
;
87 1 89 6 rr_1ekd 1
12 Episilon 98 1 98 9 rr_1ekd 1
13 kesi 106 1 106 5 rr_1ekd 1
14 Chi 114 1 114 4 rr_1ekd 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_1ekd 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_1ekd 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_1ekd 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_1ekd 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_1ekd 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_1ekd 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_1ekd 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_1ekd 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_1ekd 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_1ekd 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_1ekd 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_1ekd 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_1ekd 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_1ekd 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_1ekd 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_1ekd 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_1ekd 1
18 4 68 1 "Not handling restraint 68, resonance(s) 'B.4.O5'' (nmrStar names),'B.4.C5'' (nmrStar names),'B.4.C4'' (nmrStar names),'B.4.C3'' (nmrStar names) not linked" rr_1ekd 1
19 4 69 1 "Not handling restraint 69, 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_1ekd 1
20 4 70 1 "Not handling restraint 70, 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_1ekd 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_1ekd 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_1ekd 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_1ekd 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_1ekd 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_1ekd 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_1ekd 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_1ekd 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_1ekd 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_1ekd 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_1ekd 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_1ekd 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_1ekd 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_1ekd 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_1ekd 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_1ekd 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_1ekd 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_1ekd 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_1ekd 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_1ekd 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_1ekd 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_1ekd 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_1ekd 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_1ekd 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_1ekd 1
45 4 95 1 "Not handling restraint 95, resonance(s) 'B.3.O4'' (nmrStar names),'B.3.C1'' (nmrStar names),'B.3.N1' (nmrStar names),'B.3.C2' (nmrStar names) not linked" rr_1ekd 1
46 4 96 1 "Not handling restraint 96, resonance(s) 'B.4.O4'' (nmrStar names),'B.4.C1'' (nmrStar names),'B.4.N9' (nmrStar names),'B.4.C4' (nmrStar names) not linked" rr_1ekd 1
47 4 97 1 "Not handling restraint 97, resonance(s) 'B.5.O4'' (nmrStar names),'B.5.C1'' (nmrStar names),'B.5.N1' (nmrStar names),'B.5.C2' (nmrStar names) not linked" rr_1ekd 1
48 4 98 1 "Not handling restraint 98, resonance(s) 'B.6.O4'' (nmrStar names),'B.6.C1'' (nmrStar names),'B.6.N9' (nmrStar names),'B.6.C4' (nmrStar names) not linked" rr_1ekd 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_1ekd 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_1ekd 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_1ekd
_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 1EKD *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*GP*CP*GP*UP*GP*CP*C)-3'); *COMPND 3 CHAIN: A, B; *COMPND 4 ENGINEERED: YES *SOURCE MOL_ID: 1; *SOURCE 2 SYNTHETIC: YES *KEYWDS RNA, GU PAIR, HYDROGEN BOND, DOUBLE HELIX *EXPDTA NMR *AUTHOR X.CHEN, J.A.MCDOWELL, R.KIERZEK, T.R.KRUGH, D.H.TURNER *REVDAT 1 13-NOV-00 1EKD 0 !BIOSYM restraint 1
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save_
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