NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | cing | stage | program | type | subtype | item_count |
|
|
374895 |
1esh   |
cing | 3-converted-DOCR | STAR | entry | full | 296 |
data_DOCR_restraints_with_modified_coordinates_PDB_code_1esh
# This DOCR archive file contains, for PDB entry <1esh>:
#
# - 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_1esh
_Entry.Title "wwPDB remediated NMR restraints for PDB entry 1esh"
_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 1esh"
save_
save_assembly
_Assembly.Sf_category assembly
_Assembly.Sf_framecode assembly
_Assembly.Entry_ID rr_1esh
_Assembly.ID 1
_Assembly.Name 1esh
_Assembly.Number_of_components 1
_Assembly.Organic_ligands 0
_Assembly.Metal_ions 0
_Assembly.Non_standard_bonds no
_Assembly.Paramagnetic no
_Assembly.Thiol_state "not present"
_Assembly.Molecular_mass 4220.55028
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 UP GP CP AP UP AP GP CP AP CP C 3" 1 $RNA__5__R__GP_GP_UP_GP_CP_AP_UP_AP_GP_CP_AP_CP_C__3__ A . no . . . . . . rr_1esh 1
stop_
save_
save_RNA__5__R__GP_GP_UP_GP_CP_AP_UP_AP_GP_CP_AP_CP_C__3__
_Entity.Sf_category entity
_Entity.Sf_framecode RNA__5__R__GP_GP_UP_GP_CP_AP_UP_AP_GP_CP_AP_CP_C__3__
_Entity.Entry_ID rr_1esh
_Entity.ID 1
_Entity.Name RNA__5__R__GP_GP_UP_GP_CP_AP_UP_AP_GP_CP_AP_CP_C__3__
_Entity.Type polymer
_Entity.Polymer_type polyribonucleotide
_Entity.Polymer_strand_ID A
_Entity.Polymer_seq_one_letter_code GGUGCAUAGCACC
_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 13
_Entity.Paramagnetic no
_Entity.Thiol_state "not present"
_Entity.Parent_entity_ID 1
_Entity.Formula_weight 4220.55028
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_1esh 1
2 . G . rr_1esh 1
3 . U . rr_1esh 1
4 . G . rr_1esh 1
5 . C . rr_1esh 1
6 . A . rr_1esh 1
7 . U . rr_1esh 1
8 . A . rr_1esh 1
9 . G . rr_1esh 1
10 . C . rr_1esh 1
11 . A . rr_1esh 1
12 . C . rr_1esh 1
13 . C . rr_1esh 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_1esh 1
. G 2 2 rr_1esh 1
. U 3 3 rr_1esh 1
. G 4 4 rr_1esh 1
. C 5 5 rr_1esh 1
. A 6 6 rr_1esh 1
. U 7 7 rr_1esh 1
. A 8 8 rr_1esh 1
. G 9 9 rr_1esh 1
. C 10 10 rr_1esh 1
. A 11 11 rr_1esh 1
. C 12 12 rr_1esh 1
. C 13 13 rr_1esh 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_1esh
_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_1esh
_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_1esh 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_1esh 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 -8.129 -7.534 0.692 . . . 1.0 . . . . . . . . . . . . A . 1 G C1' . . . . . . . . . rr_1esh 1
. 1 . 2 . 1 1 1 G C2 C -5.750 -4.445 2.612 . . . 1.0 . . . . . . . . . . . . A . 1 G C2 . . . . . . . . . rr_1esh 1
. 1 . 3 . 1 1 1 G C2' C -8.305 -6.644 -0.544 . . . 1.0 . . . . . . . . . . . . A . 1 G C2' . . . . . . . . . rr_1esh 1
. 1 . 4 . 1 1 1 G C3' C -8.526 -7.647 -1.672 . . . 1.0 . . . . . . . . . . . . A . 1 G C3' . . . . . . . . . rr_1esh 1
. 1 . 5 . 1 1 1 G C4 C -6.093 -6.483 1.773 . . . 1.0 . . . . . . . . . . . . A . 1 G C4 . . . . . . . . . rr_1esh 1
. 1 . 6 . 1 1 1 G C4' C -9.129 -8.851 -0.973 . . . 1.0 . . . . . . . . . . . . A . 1 G C4' . . . . . . . . . rr_1esh 1
. 1 . 7 . 1 1 1 G C5 C -4.823 -6.926 2.057 . . . 1.0 . . . . . . . . . . . . A . 1 G C5 . . . . . . . . . rr_1esh 1
. 1 . 8 . 1 1 1 G C5' C -8.893 -10.184 -1.675 . . . 1.0 . . . . . . . . . . . . A . 1 G C5' . . . . . . . . . rr_1esh 1
. 1 . 9 . 1 1 1 G C6 C -3.899 -6.049 2.687 . . . 1.0 . . . . . . . . . . . . A . 1 G C6 . . . . . . . . . rr_1esh 1
. 1 . 10 . 1 1 1 G C8 C -5.820 -8.559 1.134 . . . 1.0 . . . . . . . . . . . . A . 1 G C8 . . . . . . . . . rr_1esh 1
. 1 . 11 . 1 1 1 G H1 H -3.873 -4.117 3.379 . . . 1.0 . . . . . . . . . . . . A . 1 G H1 . . . . . . . . . rr_1esh 1
. 1 . 12 . 1 1 1 G H1' H -8.788 -7.214 1.499 . . . 1.0 . . . . . . . . . . . . A . 1 G H1' . . . . . . . . . rr_1esh 1
. 1 . 13 . 1 1 1 G H2' H -7.409 -6.052 -0.723 . . . 1.0 . . . . . . . . . . . . A . 1 G H2' . . . . . . . . . rr_1esh 1
. 1 . 14 . 1 1 1 G H21 H -5.467 -2.572 3.359 . . . 1.0 . . . . . . . . . . . . A . 1 G H21 . . . . . . . . . rr_1esh 1
. 1 . 15 . 1 1 1 G H22 H -7.061 -2.891 2.712 . . . 1.0 . . . . . . . . . . . . A . 1 G H22 . . . . . . . . . rr_1esh 1
. 1 . 16 . 1 1 1 G H3' H -7.617 -7.880 -2.226 . . . 1.0 . . . . . . . . . . . . A . 1 G H3' . . . . . . . . . rr_1esh 1
. 1 . 17 . 1 1 1 G H4' H -10.200 -8.712 -0.824 . . . 1.0 . . . . . . . . . . . . A . 1 G H4' . . . . . . . . . rr_1esh 1
. 1 . 18 . 1 1 1 G H5' H -9.194 -10.994 -1.011 . . . 1.0 . . . . . . . . . . . . A . 1 G H5' . . . . . . . . . rr_1esh 1
. 1 . 19 . 1 1 1 G H5'' H -9.499 -10.222 -2.580 . . . 1.0 . . . . . . . . . . . . A . 1 G H5'' . . . . . . . . . rr_1esh 1
. 1 . 20 . 1 1 1 G H8 H -6.038 -9.538 0.709 . . . 1.0 . . . . . . . . . . . . A . 1 G H8 . . . . . . . . . rr_1esh 1
. 1 . 21 . 1 1 1 G HO2' H -9.193 -4.917 -0.649 . . . 1.0 . . . . . . . . . . . . A . 1 G HO2' . . . . . . . . . rr_1esh 1
. 1 . 22 . 1 1 1 G HO5' H -7.006 -10.290 -1.218 . . . 1.0 . . . . . . . . . . . . A . 1 G HO5' . . . . . . . . . rr_1esh 1
. 1 . 23 . 1 1 1 G N1 N -4.460 -4.806 2.932 . . . 1.0 . . . . . . . . . . . . A . 1 G N1 . . . . . . . . . rr_1esh 1
. 1 . 24 . 1 1 1 G N2 N -6.123 -3.202 2.919 . . . 1.0 . . . . . . . . . . . . A . 1 G N2 . . . . . . . . . rr_1esh 1
. 1 . 25 . 1 1 1 G N3 N -6.626 -5.261 2.020 . . . 1.0 . . . . . . . . . . . . A . 1 G N3 . . . . . . . . . rr_1esh 1
. 1 . 26 . 1 1 1 G N7 N -4.663 -8.245 1.646 . . . 1.0 . . . . . . . . . . . . A . 1 G N7 . . . . . . . . . rr_1esh 1
. 1 . 27 . 1 1 1 G N9 N -6.736 -7.540 1.176 . . . 1.0 . . . . . . . . . . . . A . 1 G N9 . . . . . . . . . rr_1esh 1
. 1 . 28 . 1 1 1 G O2' O -9.453 -5.805 -0.393 . . . 1.0 . . . . . . . . . . . . A . 1 G O2' . . . . . . . . . rr_1esh 1
. 1 . 29 . 1 1 1 G O3' O -9.541 -7.103 -2.520 . . . 1.0 . . . . . . . . . . . . A . 1 G O3' . . . . . . . . . rr_1esh 1
. 1 . 30 . 1 1 1 G O4' O -8.480 -8.866 0.294 . . . 1.0 . . . . . . . . . . . . A . 1 G O4' . . . . . . . . . rr_1esh 1
. 1 . 31 . 1 1 1 G O5' O -7.518 -10.357 -2.027 . . . 1.0 . . . . . . . . . . . . A . 1 G O5' . . . . . . . . . rr_1esh 1
. 1 . 32 . 1 1 1 G O6 O -2.734 -6.273 3.011 . . . 1.0 . . . . . . . . . . . . A . 1 G O6 . . . . . . . . . rr_1esh 1
. 1 . 33 . 1 1 2 G C1' C -8.248 -1.801 -0.283 . . . 1.0 . . . . . . . . . . . . A . 2 G C1' . . . . . . . . . rr_1esh 1
. 1 . 34 . 1 1 2 G C2 C -4.465 -0.644 1.525 . . . 1.0 . . . . . . . . . . . . A . 2 G C2 . . . . . . . . . rr_1esh 1
. 1 . 35 . 1 1 2 G C2' C -8.538 -0.727 -1.330 . . . 1.0 . . . . . . . . . . . . A . 2 G C2' . . . . . . . . . rr_1esh 1
. 1 . 36 . 1 1 2 G C3' C -9.188 -1.542 -2.435 . . . 1.0 . . . . . . . . . . . . A . 2 G C3' . . . . . . . . . rr_1esh 1
. 1 . 37 . 1 1 2 G C4 C -5.764 -1.899 0.213 . . . 1.0 . . . . . . . . . . . . A . 2 G C4 . . . . . . . . . rr_1esh 1
. 1 . 38 . 1 1 2 G C4' C -10.015 -2.553 -1.660 . . . 1.0 . . . . . . . . . . . . A . 2 G C4' . . . . . . . . . rr_1esh 1
. 1 . 39 . 1 1 2 G C5 C -4.736 -2.711 -0.203 . . . 1.0 . . . . . . . . . . . . A . 2 G C5 . . . . . . . . . rr_1esh 1
. 1 . 40 . 1 1 2 G C5' C -10.322 -3.846 -2.409 . . . 1.0 . . . . . . . . . . . . A . 2 G C5' . . . . . . . . . rr_1esh 1
. 1 . 41 . 1 1 2 G C6 C -3.421 -2.484 0.287 . . . 1.0 . . . . . . . . . . . . A . 2 G C6 . . . . . . . . . rr_1esh 1
. 1 . 42 . 1 1 2 G C8 C -6.479 -3.426 -1.185 . . . 1.0 . . . . . . . . . . . . A . 2 G C8 . . . . . . . . . rr_1esh 1
. 1 . 43 . 1 1 2 G H1 H -2.482 -1.175 1.560 . . . 1.0 . . . . . . . . . . . . A . 2 G H1 . . . . . . . . . rr_1esh 1
. 1 . 44 . 1 1 2 G H1' H -8.375 -1.409 0.726 . . . 1.0 . . . . . . . . . . . . A . 2 G H1' . . . . . . . . . rr_1esh 1
. 1 . 45 . 1 1 2 G H2' H -7.618 -0.259 -1.675 . . . 1.0 . . . . . . . . . . . . A . 2 G H2' . . . . . . . . . rr_1esh 1
. 1 . 46 . 1 1 2 G H21 H -3.299 0.575 2.666 . . . 1.0 . . . . . . . . . . . . A . 2 G H21 . . . . . . . . . rr_1esh 1
. 1 . 47 . 1 1 2 G H22 H -5.016 0.903 2.727 . . . 1.0 . . . . . . . . . . . . A . 2 G H22 . . . . . . . . . rr_1esh 1
. 1 . 48 . 1 1 2 G H3' H -8.471 -1.999 -3.117 . . . 1.0 . . . . . . . . . . . . A . 2 G H3' . . . . . . . . . rr_1esh 1
. 1 . 49 . 1 1 2 G H4' H -10.953 -2.106 -1.328 . . . 1.0 . . . . . . . . . . . . A . 2 G H4' . . . . . . . . . rr_1esh 1
. 1 . 50 . 1 1 2 G H5' H -11.027 -4.436 -1.823 . . . 1.0 . . . . . . . . . . . . A . 2 G H5' . . . . . . . . . rr_1esh 1
. 1 . 51 . 1 1 2 G H5'' H -10.776 -3.602 -3.369 . . . 1.0 . . . . . . . . . . . . A . 2 G H5'' . . . . . . . . . rr_1esh 1
. 1 . 52 . 1 1 2 G H8 H -7.154 -4.003 -1.817 . . . 1.0 . . . . . . . . . . . . A . 2 G H8 . . . . . . . . . rr_1esh 1
. 1 . 53 . 1 1 2 G HO2' H -8.960 1.054 -0.674 . . . 1.0 . . . . . . . . . . . . A . 2 G HO2' . . . . . . . . . rr_1esh 1
. 1 . 54 . 1 1 2 G N1 N -3.380 -1.409 1.162 . . . 1.0 . . . . . . . . . . . . A . 2 G N1 . . . . . . . . . rr_1esh 1
. 1 . 55 . 1 1 2 G N2 N -4.242 0.359 2.375 . . . 1.0 . . . . . . . . . . . . A . 2 G N2 . . . . . . . . . rr_1esh 1
. 1 . 56 . 1 1 2 G N3 N -5.706 -0.850 1.071 . . . 1.0 . . . . . . . . . . . . A . 2 G N3 . . . . . . . . . rr_1esh 1
. 1 . 57 . 1 1 2 G N7 N -5.203 -3.676 -1.089 . . . 1.0 . . . . . . . . . . . . A . 2 G N7 . . . . . . . . . rr_1esh 1
. 1 . 58 . 1 1 2 G N9 N -6.891 -2.363 -0.423 . . . 1.0 . . . . . . . . . . . . A . 2 G N9 . . . . . . . . . rr_1esh 1
. 1 . 59 . 1 1 2 G O2' O -9.454 0.243 -0.815 . . . 1.0 . . . . . . . . . . . . A . 2 G O2' . . . . . . . . . rr_1esh 1
. 1 . 60 . 1 1 2 G O3' O -10.098 -0.675 -3.118 . . . 1.0 . . . . . . . . . . . . A . 2 G O3' . . . . . . . . . rr_1esh 1
. 1 . 61 . 1 1 2 G O4' O -9.209 -2.848 -0.513 . . . 1.0 . . . . . . . . . . . . A . 2 G O4' . . . . . . . . . rr_1esh 1
. 1 . 62 . 1 1 2 G O5' O -9.141 -4.621 -2.634 . . . 1.0 . . . . . . . . . . . . A . 2 G O5' . . . . . . . . . rr_1esh 1
. 1 . 63 . 1 1 2 G O6 O -2.392 -3.104 0.027 . . . 1.0 . . . . . . . . . . . . A . 2 G O6 . . . . . . . . . rr_1esh 1
. 1 . 64 . 1 1 2 G OP1 O -10.330 -5.792 -4.504 . . . 1.0 . . . . . . . . . . . . A . 2 G OP1 . . . . . . . . . rr_1esh 1
. 1 . 65 . 1 1 2 G OP2 O -7.829 -6.175 -4.097 . . . 1.0 . . . . . . . . . . . . A . 2 G OP2 . . . . . . . . . rr_1esh 1
. 1 . 66 . 1 1 2 G P P -9.190 -5.932 -3.569 . . . 1.0 . . . . . . . . . . . . A . 2 G P . . . . . . . . . rr_1esh 1
. 1 . 67 . 1 1 3 U C1' C -5.583 1.928 -1.363 . . . 1.0 . . . . . . . . . . . . A . 3 U C1' . . . . . . . . . rr_1esh 1
. 1 . 68 . 1 1 3 U C2 C -3.522 0.595 -1.371 . . . 1.0 . . . . . . . . . . . . A . 3 U C2 . . . . . . . . . rr_1esh 1
. 1 . 69 . 1 1 3 U C2' C -5.235 3.288 -1.968 . . . 1.0 . . . . . . . . . . . . A . 3 U C2' . . . . . . . . . rr_1esh 1
. 1 . 70 . 1 1 3 U C3' C -6.326 3.463 -3.013 . . . 1.0 . . . . . . . . . . . . A . 3 U C3' . . . . . . . . . rr_1esh 1
. 1 . 71 . 1 1 3 U C4 C -3.172 -1.221 -2.997 . . . 1.0 . . . . . . . . . . . . A . 3 U C4 . . . . . . . . . rr_1esh 1
. 1 . 72 . 1 1 3 U C4' C -7.527 2.828 -2.341 . . . 1.0 . . . . . . . . . . . . A . 3 U C4' . . . . . . . . . rr_1esh 1
. 1 . 73 . 1 1 3 U C5 C -4.476 -0.909 -3.538 . . . 1.0 . . . . . . . . . . . . A . 3 U C5 . . . . . . . . . rr_1esh 1
. 1 . 74 . 1 1 3 U C5' C -8.639 2.372 -3.287 . . . 1.0 . . . . . . . . . . . . A . 3 U C5' . . . . . . . . . rr_1esh 1
. 1 . 75 . 1 1 3 U C6 C -5.216 0.094 -3.000 . . . 1.0 . . . . . . . . . . . . A . 3 U C6 . . . . . . . . . rr_1esh 1
. 1 . 76 . 1 1 3 U H1' H -5.462 1.946 -0.281 . . . 1.0 . . . . . . . . . . . . A . 3 U H1' . . . . . . . . . rr_1esh 1
. 1 . 77 . 1 1 3 U H2' H -4.251 3.266 -2.426 . . . 1.0 . . . . . . . . . . . . A . 3 U H2' . . . . . . . . . rr_1esh 1
. 1 . 78 . 1 1 3 U H3 H -1.880 -0.617 -1.531 . . . 1.0 . . . . . . . . . . . . A . 3 U H3 . . . . . . . . . rr_1esh 1
. 1 . 79 . 1 1 3 U H3' H -6.080 3.017 -3.976 . . . 1.0 . . . . . . . . . . . . A . 3 U H3' . . . . . . . . . rr_1esh 1
. 1 . 80 . 1 1 3 U H4' H -7.946 3.503 -1.592 . . . 1.0 . . . . . . . . . . . . A . 3 U H4' . . . . . . . . . rr_1esh 1
. 1 . 81 . 1 1 3 U H5 H -4.866 -1.481 -4.380 . . . 1.0 . . . . . . . . . . . . A . 3 U H5 . . . . . . . . . rr_1esh 1
. 1 . 82 . 1 1 3 U H5' H -9.591 2.377 -2.754 . . . 1.0 . . . . . . . . . . . . A . 3 U H5' . . . . . . . . . rr_1esh 1
. 1 . 83 . 1 1 3 U H5'' H -8.699 3.066 -4.126 . . . 1.0 . . . . . . . . . . . . A . 3 U H5'' . . . . . . . . . rr_1esh 1
. 1 . 84 . 1 1 3 U H6 H -6.193 0.319 -3.427 . . . 1.0 . . . . . . . . . . . . A . 3 U H6 . . . . . . . . . rr_1esh 1
. 1 . 85 . 1 1 3 U HO2' H -4.763 5.039 -1.265 . . . 1.0 . . . . . . . . . . . . A . 3 U HO2' . . . . . . . . . rr_1esh 1
. 1 . 86 . 1 1 3 U N1 N -4.762 0.837 -1.940 . . . 1.0 . . . . . . . . . . . . A . 3 U N1 . . . . . . . . . rr_1esh 1
. 1 . 87 . 1 1 3 U N3 N -2.786 -0.429 -1.934 . . . 1.0 . . . . . . . . . . . . A . 3 U N3 . . . . . . . . . rr_1esh 1
. 1 . 88 . 1 1 3 U O2 O -3.093 1.250 -0.424 . . . 1.0 . . . . . . . . . . . . A . 3 U O2 . . . . . . . . . rr_1esh 1
. 1 . 89 . 1 1 3 U O2' O -5.322 4.314 -0.975 . . . 1.0 . . . . . . . . . . . . A . 3 U O2' . . . . . . . . . rr_1esh 1
. 1 . 90 . 1 1 3 U O3' O -6.588 4.864 -3.121 . . . 1.0 . . . . . . . . . . . . A . 3 U O3' . . . . . . . . . rr_1esh 1
. 1 . 91 . 1 1 3 U O4 O -2.425 -2.109 -3.405 . . . 1.0 . . . . . . . . . . . . A . 3 U O4 . . . . . . . . . rr_1esh 1
. 1 . 92 . 1 1 3 U O4' O -6.967 1.691 -1.682 . . . 1.0 . . . . . . . . . . . . A . 3 U O4' . . . . . . . . . rr_1esh 1
. 1 . 93 . 1 1 3 U O5' O -8.398 1.055 -3.791 . . . 1.0 . . . . . . . . . . . . A . 3 U O5' . . . . . . . . . rr_1esh 1
. 1 . 94 . 1 1 3 U OP1 O -10.701 1.103 -4.777 . . . 1.0 . . . . . . . . . . . . A . 3 U OP1 . . . . . . . . . rr_1esh 1
. 1 . 95 . 1 1 3 U OP2 O -9.050 -0.757 -5.392 . . . 1.0 . . . . . . . . . . . . A . 3 U OP2 . . . . . . . . . rr_1esh 1
. 1 . 96 . 1 1 3 U P P -9.609 0.180 -4.393 . . . 1.0 . . . . . . . . . . . . A . 3 U P . . . . . . . . . rr_1esh 1
. 1 . 97 . 1 1 4 G C1' C -0.977 5.583 -2.436 . . . 1.0 . . . . . . . . . . . . A . 4 G C1' . . . . . . . . . rr_1esh 1
. 1 . 98 . 1 1 4 G C2 C 2.036 2.508 -3.024 . . . 1.0 . . . . . . . . . . . . A . 4 G C2 . . . . . . . . . rr_1esh 1
. 1 . 99 . 1 1 4 G C2' C -0.455 6.755 -3.268 . . . 1.0 . . . . . . . . . . . . A . 4 G C2' . . . . . . . . . rr_1esh 1
. 1 . 100 . 1 1 4 G C3' C -1.743 7.370 -3.790 . . . 1.0 . . . . . . . . . . . . A . 4 G C3' . . . . . . . . . rr_1esh 1
. 1 . 101 . 1 1 4 G C4 C 0.022 3.424 -3.308 . . . 1.0 . . . . . . . . . . . . A . 4 G C4 . . . . . . . . . rr_1esh 1
. 1 . 102 . 1 1 4 G C4' C -2.705 7.183 -2.630 . . . 1.0 . . . . . . . . . . . . A . 4 G C4' . . . . . . . . . rr_1esh 1
. 1 . 103 . 1 1 4 G C5 C -0.448 2.401 -4.097 . . . 1.0 . . . . . . . . . . . . A . 4 G C5 . . . . . . . . . rr_1esh 1
. 1 . 104 . 1 1 4 G C5' C -4.180 7.128 -3.017 . . . 1.0 . . . . . . . . . . . . A . 4 G C5' . . . . . . . . . rr_1esh 1
. 1 . 105 . 1 1 4 G C6 C 0.401 1.300 -4.394 . . . 1.0 . . . . . . . . . . . . A . 4 G C6 . . . . . . . . . rr_1esh 1
. 1 . 106 . 1 1 4 G C8 C -2.043 3.794 -3.935 . . . 1.0 . . . . . . . . . . . . A . 4 G C8 . . . . . . . . . rr_1esh 1
. 1 . 107 . 1 1 4 G H1 H 2.313 0.701 -3.958 . . . 1.0 . . . . . . . . . . . . A . 4 G H1 . . . . . . . . . rr_1esh 1
. 1 . 108 . 1 1 4 G H1' H -0.374 5.443 -1.539 . . . 1.0 . . . . . . . . . . . . A . 4 G H1' . . . . . . . . . rr_1esh 1
. 1 . 109 . 1 1 4 G H2' H 0.174 6.405 -4.085 . . . 1.0 . . . . . . . . . . . . A . 4 G H2' . . . . . . . . . rr_1esh 1
. 1 . 110 . 1 1 4 G H21 H 3.917 1.751 -2.818 . . . 1.0 . . . . . . . . . . . . A . 4 G H21 . . . . . . . . . rr_1esh 1
. 1 . 111 . 1 1 4 G H22 H 3.591 3.214 -1.915 . . . 1.0 . . . . . . . . . . . . A . 4 G H22 . . . . . . . . . rr_1esh 1
. 1 . 112 . 1 1 4 G H3' H -2.093 6.921 -4.720 . . . 1.0 . . . . . . . . . . . . A . 4 G H3' . . . . . . . . . rr_1esh 1
. 1 . 113 . 1 1 4 G H4' H -2.565 7.969 -1.888 . . . 1.0 . . . . . . . . . . . . A . 4 G H4' . . . . . . . . . rr_1esh 1
. 1 . 114 . 1 1 4 G H5' H -4.782 7.058 -2.111 . . . 1.0 . . . . . . . . . . . . A . 4 G H5' . . . . . . . . . rr_1esh 1
. 1 . 115 . 1 1 4 G H5'' H -4.443 8.043 -3.549 . . . 1.0 . . . . . . . . . . . . A . 4 G H5'' . . . . . . . . . rr_1esh 1
. 1 . 116 . 1 1 4 G H8 H -3.006 4.289 -4.050 . . . 1.0 . . . . . . . . . . . . A . 4 G H8 . . . . . . . . . rr_1esh 1
. 1 . 117 . 1 1 4 G HO2' H 0.036 8.566 -2.758 . . . 1.0 . . . . . . . . . . . . A . 4 G HO2' . . . . . . . . . rr_1esh 1
. 1 . 118 . 1 1 4 G N1 N 1.646 1.442 -3.804 . . . 1.0 . . . . . . . . . . . . A . 4 G N1 . . . . . . . . . rr_1esh 1
. 1 . 119 . 1 1 4 G N2 N 3.281 2.488 -2.546 . . . 1.0 . . . . . . . . . . . . A . 4 G N2 . . . . . . . . . rr_1esh 1
. 1 . 120 . 1 1 4 G N3 N 1.246 3.546 -2.738 . . . 1.0 . . . . . . . . . . . . A . 4 G N3 . . . . . . . . . rr_1esh 1
. 1 . 121 . 1 1 4 G N7 N -1.759 2.648 -4.488 . . . 1.0 . . . . . . . . . . . . A . 4 G N7 . . . . . . . . . rr_1esh 1
. 1 . 122 . 1 1 4 G N9 N -1.011 4.323 -3.203 . . . 1.0 . . . . . . . . . . . . A . 4 G N9 . . . . . . . . . rr_1esh 1
. 1 . 123 . 1 1 4 G O2' O 0.245 7.686 -2.438 . . . 1.0 . . . . . . . . . . . . A . 4 G O2' . . . . . . . . . rr_1esh 1
. 1 . 124 . 1 1 4 G O3' O -1.512 8.774 -3.928 . . . 1.0 . . . . . . . . . . . . A . 4 G O3' . . . . . . . . . rr_1esh 1
. 1 . 125 . 1 1 4 G O4' O -2.320 5.929 -2.057 . . . 1.0 . . . . . . . . . . . . A . 4 G O4' . . . . . . . . . rr_1esh 1
. 1 . 126 . 1 1 4 G O5' O -4.468 6.004 -3.853 . . . 1.0 . . . . . . . . . . . . A . 4 G O5' . . . . . . . . . rr_1esh 1
. 1 . 127 . 1 1 4 G O6 O 0.152 0.307 -5.074 . . . 1.0 . . . . . . . . . . . . A . 4 G O6 . . . . . . . . . rr_1esh 1
. 1 . 128 . 1 1 4 G OP1 O -6.694 7.008 -4.413 . . . 1.0 . . . . . . . . . . . . A . 4 G OP1 . . . . . . . . . rr_1esh 1
. 1 . 129 . 1 1 4 G OP2 O -5.916 4.839 -5.534 . . . 1.0 . . . . . . . . . . . . A . 4 G OP2 . . . . . . . . . rr_1esh 1
. 1 . 130 . 1 1 4 G P P -5.975 5.716 -4.343 . . . 1.0 . . . . . . . . . . . . A . 4 G P . . . . . . . . . rr_1esh 1
. 1 . 131 . 1 1 5 C C1' C 2.125 5.230 -6.198 . . . 1.0 . . . . . . . . . . . . A . 5 C C1' . . . . . . . . . rr_1esh 1
. 1 . 132 . 1 1 5 C C2 C 1.497 3.106 -7.235 . . . 1.0 . . . . . . . . . . . . A . 5 C C2 . . . . . . . . . rr_1esh 1
. 1 . 133 . 1 1 5 C C2' C 2.976 5.798 -7.344 . . . 1.0 . . . . . . . . . . . . A . 5 C C2' . . . . . . . . . rr_1esh 1
. 1 . 134 . 1 1 5 C C3' C 2.656 7.291 -7.309 . . . 1.0 . . . . . . . . . . . . A . 5 C C3' . . . . . . . . . rr_1esh 1
. 1 . 135 . 1 1 5 C C4 C -0.749 2.496 -7.545 . . . 1.0 . . . . . . . . . . . . A . 5 C C4 . . . . . . . . . rr_1esh 1
. 1 . 136 . 1 1 5 C C4' C 2.236 7.532 -5.873 . . . 1.0 . . . . . . . . . . . . A . 5 C C4' . . . . . . . . . rr_1esh 1
. 1 . 137 . 1 1 5 C C5 C -1.189 3.731 -6.976 . . . 1.0 . . . . . . . . . . . . A . 5 C C5 . . . . . . . . . rr_1esh 1
. 1 . 138 . 1 1 5 C C5' C 1.344 8.753 -5.653 . . . 1.0 . . . . . . . . . . . . A . 5 C C5' . . . . . . . . . rr_1esh 1
. 1 . 139 . 1 1 5 C C6 C -0.250 4.602 -6.560 . . . 1.0 . . . . . . . . . . . . A . 5 C C6 . . . . . . . . . rr_1esh 1
. 1 . 140 . 1 1 5 C H1' H 2.751 4.711 -5.480 . . . 1.0 . . . . . . . . . . . . A . 5 C H1' . . . . . . . . . rr_1esh 1
. 1 . 141 . 1 1 5 C H2' H 2.682 5.359 -8.297 . . . 1.0 . . . . . . . . . . . . A . 5 C H2' . . . . . . . . . rr_1esh 1
. 1 . 142 . 1 1 5 C H3' H 1.899 7.583 -8.032 . . . 1.0 . . . . . . . . . . . . A . 5 C H3' . . . . . . . . . rr_1esh 1
. 1 . 143 . 1 1 5 C H4' H 3.109 7.600 -5.223 . . . 1.0 . . . . . . . . . . . . A . 5 C H4' . . . . . . . . . rr_1esh 1
. 1 . 144 . 1 1 5 C H41 H -1.293 0.687 -8.303 . . . 1.0 . . . . . . . . . . . . A . 5 C H41 . . . . . . . . . rr_1esh 1
. 1 . 145 . 1 1 5 C H42 H -2.612 1.782 -7.951 . . . 1.0 . . . . . . . . . . . . A . 5 C H42 . . . . . . . . . rr_1esh 1
. 1 . 146 . 1 1 5 C H5 H -2.248 3.967 -6.875 . . . 1.0 . . . . . . . . . . . . A . 5 C H5 . . . . . . . . . rr_1esh 1
. 1 . 147 . 1 1 5 C H5' H 1.429 9.078 -4.615 . . . 1.0 . . . . . . . . . . . . A . 5 C H5' . . . . . . . . . rr_1esh 1
. 1 . 148 . 1 1 5 C H5'' H 1.678 9.559 -6.306 . . . 1.0 . . . . . . . . . . . . A . 5 C H5'' . . . . . . . . . rr_1esh 1
. 1 . 149 . 1 1 5 C H6 H -0.554 5.555 -6.129 . . . 1.0 . . . . . . . . . . . . A . 5 C H6 . . . . . . . . . rr_1esh 1
. 1 . 150 . 1 1 5 C HO2' H 4.849 6.285 -7.525 . . . 1.0 . . . . . . . . . . . . A . 5 C HO2' . . . . . . . . . rr_1esh 1
. 1 . 151 . 1 1 5 C N1 N 1.078 4.305 -6.679 . . . 1.0 . . . . . . . . . . . . A . 5 C N1 . . . . . . . . . rr_1esh 1
. 1 . 152 . 1 1 5 C N3 N 0.557 2.217 -7.660 . . . 1.0 . . . . . . . . . . . . A . 5 C N3 . . . . . . . . . rr_1esh 1
. 1 . 153 . 1 1 5 C N4 N -1.622 1.581 -7.968 . . . 1.0 . . . . . . . . . . . . A . 5 C N4 . . . . . . . . . rr_1esh 1
. 1 . 154 . 1 1 5 C O2 O 2.697 2.858 -7.337 . . . 1.0 . . . . . . . . . . . . A . 5 C O2 . . . . . . . . . rr_1esh 1
. 1 . 155 . 1 1 5 C O2' O 4.365 5.581 -7.087 . . . 1.0 . . . . . . . . . . . . A . 5 C O2' . . . . . . . . . rr_1esh 1
. 1 . 156 . 1 1 5 C O3' O 3.884 7.991 -7.520 . . . 1.0 . . . . . . . . . . . . A . 5 C O3' . . . . . . . . . rr_1esh 1
. 1 . 157 . 1 1 5 C O4' O 1.510 6.353 -5.555 . . . 1.0 . . . . . . . . . . . . A . 5 C O4' . . . . . . . . . rr_1esh 1
. 1 . 158 . 1 1 5 C O5' O -0.027 8.462 -5.935 . . . 1.0 . . . . . . . . . . . . A . 5 C O5' . . . . . . . . . rr_1esh 1
. 1 . 159 . 1 1 5 C OP1 O -0.630 10.767 -5.163 . . . 1.0 . . . . . . . . . . . . A . 5 C OP1 . . . . . . . . . rr_1esh 1
. 1 . 160 . 1 1 5 C OP2 O -2.390 9.239 -6.227 . . . 1.0 . . . . . . . . . . . . A . 5 C OP2 . . . . . . . . . rr_1esh 1
. 1 . 161 . 1 1 5 C P P -1.196 9.415 -5.372 . . . 1.0 . . . . . . . . . . . . A . 5 C P . . . . . . . . . rr_1esh 1
. 1 . 162 . 1 1 6 A C1' C 0.517 5.340 -10.075 . . . 1.0 . . . . . . . . . . . . A . 6 A C1' . . . . . . . . . rr_1esh 1
. 1 . 163 . 1 1 6 A C2 C -3.347 3.365 -10.165 . . . 1.0 . . . . . . . . . . . . A . 6 A C2 . . . . . . . . . rr_1esh 1
. 1 . 164 . 1 1 6 A C2' C 0.514 5.572 -11.576 . . . 1.0 . . . . . . . . . . . . A . 6 A C2' . . . . . . . . . rr_1esh 1
. 1 . 165 . 1 1 6 A C3' C 1.978 5.883 -11.834 . . . 1.0 . . . . . . . . . . . . A . 6 A C3' . . . . . . . . . rr_1esh 1
. 1 . 166 . 1 1 6 A C4 C -1.936 4.939 -9.576 . . . 1.0 . . . . . . . . . . . . A . 6 A C4 . . . . . . . . . rr_1esh 1
. 1 . 167 . 1 1 6 A C4' C 2.415 6.652 -10.595 . . . 1.0 . . . . . . . . . . . . A . 6 A C4' . . . . . . . . . rr_1esh 1
. 1 . 168 . 1 1 6 A C5 C -2.880 5.613 -8.856 . . . 1.0 . . . . . . . . . . . . A . 6 A C5 . . . . . . . . . rr_1esh 1
. 1 . 169 . 1 1 6 A C5' C 2.358 8.170 -10.748 . . . 1.0 . . . . . . . . . . . . A . 6 A C5' . . . . . . . . . rr_1esh 1
. 1 . 170 . 1 1 6 A C6 C -4.167 5.052 -8.830 . . . 1.0 . . . . . . . . . . . . A . 6 A C6 . . . . . . . . . rr_1esh 1
. 1 . 171 . 1 1 6 A C8 C -1.092 6.738 -8.671 . . . 1.0 . . . . . . . . . . . . A . 6 A C8 . . . . . . . . . rr_1esh 1
. 1 . 172 . 1 1 6 A H1' H 0.792 4.313 -9.833 . . . 1.0 . . . . . . . . . . . . A . 6 A H1' . . . . . . . . . rr_1esh 1
. 1 . 173 . 1 1 6 A H2 H -3.572 2.439 -10.695 . . . 1.0 . . . . . . . . . . . . A . 6 A H2 . . . . . . . . . rr_1esh 1
. 1 . 174 . 1 1 6 A H2' H -0.120 6.418 -11.842 . . . 1.0 . . . . . . . . . . . . A . 6 A H2' . . . . . . . . . rr_1esh 1
. 1 . 175 . 1 1 6 A H3' H 2.138 6.436 -12.753 . . . 1.0 . . . . . . . . . . . . A . 6 A H3' . . . . . . . . . rr_1esh 1
. 1 . 176 . 1 1 6 A H4' H 3.426 6.368 -10.308 . . . 1.0 . . . . . . . . . . . . A . 6 A H4' . . . . . . . . . rr_1esh 1
. 1 . 177 . 1 1 6 A H5' H 3.094 8.478 -11.491 . . . 1.0 . . . . . . . . . . . . A . 6 A H5' . . . . . . . . . rr_1esh 1
. 1 . 178 . 1 1 6 A H5'' H 1.364 8.454 -11.094 . . . 1.0 . . . . . . . . . . . . A . 6 A H5'' . . . . . . . . . rr_1esh 1
. 1 . 179 . 1 1 6 A H61 H -6.096 5.138 -8.188 . . . 1.0 . . . . . . . . . . . . A . 6 A H61 . . . . . . . . . rr_1esh 1
. 1 . 180 . 1 1 6 A H62 H -5.071 6.456 -7.666 . . . 1.0 . . . . . . . . . . . . A . 6 A H62 . . . . . . . . . rr_1esh 1
. 1 . 181 . 1 1 6 A H8 H -0.367 7.501 -8.398 . . . 1.0 . . . . . . . . . . . . A . 6 A H8 . . . . . . . . . rr_1esh 1
. 1 . 182 . 1 1 6 A HO2' H 0.079 3.681 -11.621 . . . 1.0 . . . . . . . . . . . . A . 6 A HO2' . . . . . . . . . rr_1esh 1
. 1 . 183 . 1 1 6 A N1 N -4.364 3.909 -9.507 . . . 1.0 . . . . . . . . . . . . A . 6 A N1 . . . . . . . . . rr_1esh 1
. 1 . 184 . 1 1 6 A N3 N -2.098 3.792 -10.268 . . . 1.0 . . . . . . . . . . . . A . 6 A N3 . . . . . . . . . rr_1esh 1
. 1 . 185 . 1 1 6 A N6 N -5.194 5.592 -8.175 . . . 1.0 . . . . . . . . . . . . A . 6 A N6 . . . . . . . . . rr_1esh 1
. 1 . 186 . 1 1 6 A N7 N -2.337 6.757 -8.282 . . . 1.0 . . . . . . . . . . . . A . 6 A N7 . . . . . . . . . rr_1esh 1
. 1 . 187 . 1 1 6 A N9 N -0.778 5.666 -9.457 . . . 1.0 . . . . . . . . . . . . A . 6 A N9 . . . . . . . . . rr_1esh 1
. 1 . 188 . 1 1 6 A O2' O 0.119 4.387 -12.267 . . . 1.0 . . . . . . . . . . . . A . 6 A O2' . . . . . . . . . rr_1esh 1
. 1 . 189 . 1 1 6 A O3' O 2.684 4.637 -11.828 . . . 1.0 . . . . . . . . . . . . A . 6 A O3' . . . . . . . . . rr_1esh 1
. 1 . 190 . 1 1 6 A O4' O 1.506 6.242 -9.561 . . . 1.0 . . . . . . . . . . . . A . 6 A O4' . . . . . . . . . rr_1esh 1
. 1 . 191 . 1 1 6 A O5' O 2.631 8.843 -9.517 . . . 1.0 . . . . . . . . . . . . A . 6 A O5' . . . . . . . . . rr_1esh 1
. 1 . 192 . 1 1 6 A OP1 O 4.991 8.035 -9.767 . . . 1.0 . . . . . . . . . . . . A . 6 A OP1 . . . . . . . . . rr_1esh 1
. 1 . 193 . 1 1 6 A OP2 O 4.476 10.213 -8.516 . . . 1.0 . . . . . . . . . . . . A . 6 A OP2 . . . . . . . . . rr_1esh 1
. 1 . 194 . 1 1 6 A P P 4.110 8.825 -8.878 . . . 1.0 . . . . . . . . . . . . A . 6 A P . . . . . . . . . rr_1esh 1
. 1 . 195 . 1 1 7 U C1' C 2.212 0.673 -13.826 . . . 1.0 . . . . . . . . . . . . A . 7 U C1' . . . . . . . . . rr_1esh 1
. 1 . 196 . 1 1 7 U C2 C 0.093 1.352 -14.896 . . . 1.0 . . . . . . . . . . . . A . 7 U C2 . . . . . . . . . rr_1esh 1
. 1 . 197 . 1 1 7 U C2' C 3.485 0.565 -14.652 . . . 1.0 . . . . . . . . . . . . A . 7 U C2' . . . . . . . . . rr_1esh 1
. 1 . 198 . 1 1 7 U C3' C 4.507 0.127 -13.614 . . . 1.0 . . . . . . . . . . . . A . 7 U C3' . . . . . . . . . rr_1esh 1
. 1 . 199 . 1 1 7 U C4 C -0.395 3.728 -15.326 . . . 1.0 . . . . . . . . . . . . A . 7 U C4 . . . . . . . . . rr_1esh 1
. 1 . 200 . 1 1 7 U C4' C 4.015 0.738 -12.307 . . . 1.0 . . . . . . . . . . . . A . 7 U C4' . . . . . . . . . rr_1esh 1
. 1 . 201 . 1 1 7 U C5 C 0.889 4.038 -14.738 . . . 1.0 . . . . . . . . . . . . A . 7 U C5 . . . . . . . . . rr_1esh 1
. 1 . 202 . 1 1 7 U C5' C 4.758 1.998 -11.872 . . . 1.0 . . . . . . . . . . . . A . 7 U C5' . . . . . . . . . rr_1esh 1
. 1 . 203 . 1 1 7 U C6 C 1.684 3.042 -14.277 . . . 1.0 . . . . . . . . . . . . A . 7 U C6 . . . . . . . . . rr_1esh 1
. 1 . 204 . 1 1 7 U H1' H 1.695 -0.286 -13.760 . . . 1.0 . . . . . . . . . . . . A . 7 U H1' . . . . . . . . . rr_1esh 1
. 1 . 205 . 1 1 7 U H2' H 3.755 1.529 -15.084 . . . 1.0 . . . . . . . . . . . . A . 7 U H2' . . . . . . . . . rr_1esh 1
. 1 . 206 . 1 1 7 U H3 H -1.593 2.125 -15.765 . . . 1.0 . . . . . . . . . . . . A . 7 U H3 . . . . . . . . . rr_1esh 1
. 1 . 207 . 1 1 7 U H3' H 5.522 0.429 -13.866 . . . 1.0 . . . . . . . . . . . . A . 7 U H3' . . . . . . . . . rr_1esh 1
. 1 . 208 . 1 1 7 U H4' H 4.070 0.000 -11.511 . . . 1.0 . . . . . . . . . . . . A . 7 U H4' . . . . . . . . . rr_1esh 1
. 1 . 209 . 1 1 7 U H5 H 1.217 5.076 -14.657 . . . 1.0 . . . . . . . . . . . . A . 7 U H5 . . . . . . . . . rr_1esh 1
. 1 . 210 . 1 1 7 U H5' H 4.467 2.246 -10.851 . . . 1.0 . . . . . . . . . . . . A . 7 U H5' . . . . . . . . . rr_1esh 1
. 1 . 211 . 1 1 7 U H5'' H 5.830 1.805 -11.899 . . . 1.0 . . . . . . . . . . . . A . 7 U H5'' . . . . . . . . . rr_1esh 1
. 1 . 212 . 1 1 7 U H6 H 2.654 3.292 -13.846 . . . 1.0 . . . . . . . . . . . . A . 7 U H6 . . . . . . . . . rr_1esh 1
. 1 . 213 . 1 1 7 U HO2' H 3.180 -1.270 -15.224 . . . 1.0 . . . . . . . . . . . . A . 7 U HO2' . . . . . . . . . rr_1esh 1
. 1 . 214 . 1 1 7 U N1 N 1.310 1.728 -14.345 . . . 1.0 . . . . . . . . . . . . A . 7 U N1 . . . . . . . . . rr_1esh 1
. 1 . 215 . 1 1 7 U N3 N -0.703 2.381 -15.361 . . . 1.0 . . . . . . . . . . . . A . 7 U N3 . . . . . . . . . rr_1esh 1
. 1 . 216 . 1 1 7 U O2 O -0.263 0.178 -14.970 . . . 1.0 . . . . . . . . . . . . A . 7 U O2 . . . . . . . . . rr_1esh 1
. 1 . 217 . 1 1 7 U O2' O 3.342 -0.433 -15.667 . . . 1.0 . . . . . . . . . . . . A . 7 U O2' . . . . . . . . . rr_1esh 1
. 1 . 218 . 1 1 7 U O3' O 4.400 -1.293 -13.476 . . . 1.0 . . . . . . . . . . . . A . 7 U O3' . . . . . . . . . rr_1esh 1
. 1 . 219 . 1 1 7 U O4 O -1.189 4.553 -15.774 . . . 1.0 . . . . . . . . . . . . A . 7 U O4 . . . . . . . . . rr_1esh 1
. 1 . 220 . 1 1 7 U O4' O 2.639 1.064 -12.522 . . . 1.0 . . . . . . . . . . . . A . 7 U O4' . . . . . . . . . rr_1esh 1
. 1 . 221 . 1 1 7 U O5' O 4.461 3.105 -12.731 . . . 1.0 . . . . . . . . . . . . A . 7 U O5' . . . . . . . . . rr_1esh 1
. 1 . 222 . 1 1 7 U OP1 O 4.988 4.666 -10.843 . . . 1.0 . . . . . . . . . . . . A . 7 U OP1 . . . . . . . . . rr_1esh 1
. 1 . 223 . 1 1 7 U OP2 O 4.560 5.565 -13.204 . . . 1.0 . . . . . . . . . . . . A . 7 U OP2 . . . . . . . . . rr_1esh 1
. 1 . 224 . 1 1 7 U P P 4.265 4.588 -12.132 . . . 1.0 . . . . . . . . . . . . A . 7 U P . . . . . . . . . rr_1esh 1
. 1 . 225 . 1 1 8 A C1' C 2.590 -3.122 -11.127 . . . 1.0 . . . . . . . . . . . . A . 8 A C1' . . . . . . . . . rr_1esh 1
. 1 . 226 . 1 1 8 A C2 C 2.378 0.869 -9.755 . . . 1.0 . . . . . . . . . . . . A . 8 A C2 . . . . . . . . . rr_1esh 1
. 1 . 227 . 1 1 8 A C2' C 2.914 -3.889 -12.384 . . . 1.0 . . . . . . . . . . . . A . 8 A C2' . . . . . . . . . rr_1esh 1
. 1 . 228 . 1 1 8 A C3' C 4.309 -4.401 -12.058 . . . 1.0 . . . . . . . . . . . . A . 8 A C3' . . . . . . . . . rr_1esh 1
. 1 . 229 . 1 1 8 A C4 C 1.628 -0.853 -10.828 . . . 1.0 . . . . . . . . . . . . A . 8 A C4 . . . . . . . . . rr_1esh 1
. 1 . 230 . 1 1 8 A C4' C 4.897 -3.370 -11.085 . . . 1.0 . . . . . . . . . . . . A . 8 A C4' . . . . . . . . . rr_1esh 1
. 1 . 231 . 1 1 8 A C5 C 0.512 -0.208 -11.259 . . . 1.0 . . . . . . . . . . . . A . 8 A C5 . . . . . . . . . rr_1esh 1
. 1 . 232 . 1 1 8 A C5' C 6.051 -2.545 -11.660 . . . 1.0 . . . . . . . . . . . . A . 8 A C5' . . . . . . . . . rr_1esh 1
. 1 . 233 . 1 1 8 A C6 C 0.375 1.127 -10.857 . . . 1.0 . . . . . . . . . . . . A . 8 A C6 . . . . . . . . . rr_1esh 1
. 1 . 234 . 1 1 8 A C8 C 0.407 -2.175 -12.031 . . . 1.0 . . . . . . . . . . . . A . 8 A C8 . . . . . . . . . rr_1esh 1
. 1 . 235 . 1 1 8 A H1' H 2.289 -3.777 -10.328 . . . 1.0 . . . . . . . . . . . . A . 8 A H1' . . . . . . . . . rr_1esh 1
. 1 . 236 . 1 1 8 A H2 H 3.141 1.319 -9.152 . . . 1.0 . . . . . . . . . . . . A . 8 A H2 . . . . . . . . . rr_1esh 1
. 1 . 237 . 1 1 8 A H2' H 2.926 -3.233 -13.255 . . . 1.0 . . . . . . . . . . . . A . 8 A H2' . . . . . . . . . rr_1esh 1
. 1 . 238 . 1 1 8 A H3' H 4.918 -4.546 -12.939 . . . 1.0 . . . . . . . . . . . . A . 8 A H3' . . . . . . . . . rr_1esh 1
. 1 . 239 . 1 1 8 A H4' H 5.228 -3.865 -10.169 . . . 1.0 . . . . . . . . . . . . A . 8 A H4' . . . . . . . . . rr_1esh 1
. 1 . 240 . 1 1 8 A H5' H 5.797 -1.492 -11.598 . . . 1.0 . . . . . . . . . . . . A . 8 A H5' . . . . . . . . . rr_1esh 1
. 1 . 241 . 1 1 8 A H5'' H 6.952 -2.726 -11.073 . . . 1.0 . . . . . . . . . . . . A . 8 A H5'' . . . . . . . . . rr_1esh 1
. 1 . 242 . 1 1 8 A H61 H -0.737 2.830 -10.811 . . . 1.0 . . . . . . . . . . . . A . 8 A H61 . . . . . . . . . rr_1esh 1
. 1 . 243 . 1 1 8 A H62 H -1.358 1.554 -11.834 . . . 1.0 . . . . . . . . . . . . A . 8 A H62 . . . . . . . . . rr_1esh 1
. 1 . 244 . 1 1 8 A H8 H 0.099 -3.069 -12.557 . . . 1.0 . . . . . . . . . . . . A . 8 A H8 . . . . . . . . . rr_1esh 1
. 1 . 245 . 1 1 8 A HO2' H 2.386 -5.744 -12.128 . . . 1.0 . . . . . . . . . . . . A . 8 A HO2' . . . . . . . . . rr_1esh 1
. 1 . 246 . 1 1 8 A N1 N 1.350 1.644 -10.088 . . . 1.0 . . . . . . . . . . . . A . 8 A N1 . . . . . . . . . rr_1esh 1
. 1 . 247 . 1 1 8 A N3 N 2.611 -0.376 -10.068 . . . 1.0 . . . . . . . . . . . . A . 8 A N3 . . . . . . . . . rr_1esh 1
. 1 . 248 . 1 1 8 A N6 N -0.657 1.899 -11.195 . . . 1.0 . . . . . . . . . . . . A . 8 A N6 . . . . . . . . . rr_1esh 1
. 1 . 249 . 1 1 8 A N7 N -0.272 -1.058 -12.033 . . . 1.0 . . . . . . . . . . . . A . 8 A N7 . . . . . . . . . rr_1esh 1
. 1 . 250 . 1 1 8 A N9 N 1.563 -2.107 -11.317 . . . 1.0 . . . . . . . . . . . . A . 8 A N9 . . . . . . . . . rr_1esh 1
. 1 . 251 . 1 1 8 A O2' O 2.003 -4.978 -12.562 . . . 1.0 . . . . . . . . . . . . A . 8 A O2' . . . . . . . . . rr_1esh 1
. 1 . 252 . 1 1 8 A O3' O 4.142 -5.614 -11.320 . . . 1.0 . . . . . . . . . . . . A . 8 A O3' . . . . . . . . . rr_1esh 1
. 1 . 253 . 1 1 8 A O4' O 3.811 -2.497 -10.761 . . . 1.0 . . . . . . . . . . . . A . 8 A O4' . . . . . . . . . rr_1esh 1
. 1 . 254 . 1 1 8 A O5' O 6.315 -2.883 -13.029 . . . 1.0 . . . . . . . . . . . . A . 8 A O5' . . . . . . . . . rr_1esh 1
. 1 . 255 . 1 1 8 A OP1 O 6.325 -1.427 -15.071 . . . 1.0 . . . . . . . . . . . . A . 8 A OP1 . . . . . . . . . rr_1esh 1
. 1 . 256 . 1 1 8 A OP2 O 4.665 -3.364 -14.855 . . . 1.0 . . . . . . . . . . . . A . 8 A OP2 . . . . . . . . . rr_1esh 1
. 1 . 257 . 1 1 8 A P P 5.436 -2.264 -14.235 . . . 1.0 . . . . . . . . . . . . A . 8 A P . . . . . . . . . rr_1esh 1
. 1 . 258 . 1 1 9 G C1' C 3.745 -4.903 -7.481 . . . 1.0 . . . . . . . . . . . . A . 9 G C1' . . . . . . . . . rr_1esh 1
. 1 . 259 . 1 1 9 G C2 C 2.643 -0.742 -6.882 . . . 1.0 . . . . . . . . . . . . A . 9 G C2 . . . . . . . . . rr_1esh 1
. 1 . 260 . 1 1 9 G C2' C 3.596 -6.109 -6.569 . . . 1.0 . . . . . . . . . . . . A . 9 G C2' . . . . . . . . . rr_1esh 1
. 1 . 261 . 1 1 9 G C3' C 4.760 -6.974 -7.024 . . . 1.0 . . . . . . . . . . . . A . 9 G C3' . . . . . . . . . rr_1esh 1
. 1 . 262 . 1 1 9 G C4 C 2.246 -2.859 -7.458 . . . 1.0 . . . . . . . . . . . . A . 9 G C4 . . . . . . . . . rr_1esh 1
. 1 . 263 . 1 1 9 G C4' C 4.867 -6.699 -8.529 . . . 1.0 . . . . . . . . . . . . A . 9 G C4' . . . . . . . . . rr_1esh 1
. 1 . 264 . 1 1 9 G C5 C 0.928 -2.636 -7.772 . . . 1.0 . . . . . . . . . . . . A . 9 G C5 . . . . . . . . . rr_1esh 1
. 1 . 265 . 1 1 9 G C5' C 4.227 -7.751 -9.441 . . . 1.0 . . . . . . . . . . . . A . 9 G C5' . . . . . . . . . rr_1esh 1
. 1 . 266 . 1 1 9 G C6 C 0.386 -1.330 -7.634 . . . 1.0 . . . . . . . . . . . . A . 9 G C6 . . . . . . . . . rr_1esh 1
. 1 . 267 . 1 1 9 G C8 C 1.273 -4.699 -8.132 . . . 1.0 . . . . . . . . . . . . A . 9 G C8 . . . . . . . . . rr_1esh 1
. 1 . 268 . 1 1 9 G H1 H 1.034 0.522 -7.045 . . . 1.0 . . . . . . . . . . . . A . 9 G H1 . . . . . . . . . rr_1esh 1
. 1 . 269 . 1 1 9 G H1' H 4.488 -4.207 -7.096 . . . 1.0 . . . . . . . . . . . . A . 9 G H1' . . . . . . . . . rr_1esh 1
. 1 . 270 . 1 1 9 G H2' H 2.643 -6.612 -6.735 . . . 1.0 . . . . . . . . . . . . A . 9 G H2' . . . . . . . . . rr_1esh 1
. 1 . 271 . 1 1 9 G H21 H 3.029 1.173 -6.305 . . . 1.0 . . . . . . . . . . . . A . 9 G H21 . . . . . . . . . rr_1esh 1
. 1 . 272 . 1 1 9 G H22 H 4.398 0.086 -6.264 . . . 1.0 . . . . . . . . . . . . A . 9 G H22 . . . . . . . . . rr_1esh 1
. 1 . 273 . 1 1 9 G H3' H 4.633 -8.028 -6.778 . . . 1.0 . . . . . . . . . . . . A . 9 G H3' . . . . . . . . . rr_1esh 1
. 1 . 274 . 1 1 9 G H4' H 5.912 -6.586 -8.814 . . . 1.0 . . . . . . . . . . . . A . 9 G H4' . . . . . . . . . rr_1esh 1
. 1 . 275 . 1 1 9 G H5' H 4.205 -8.712 -8.930 . . . 1.0 . . . . . . . . . . . . A . 9 G H5' . . . . . . . . . rr_1esh 1
. 1 . 276 . 1 1 9 G H5'' H 3.207 -7.448 -9.671 . . . 1.0 . . . . . . . . . . . . A . 9 G H5'' . . . . . . . . . rr_1esh 1
. 1 . 277 . 1 1 9 G H8 H 1.140 -5.736 -8.424 . . . 1.0 . . . . . . . . . . . . A . 9 G H8 . . . . . . . . . rr_1esh 1
. 1 . 278 . 1 1 9 G HO2' H 3.961 -6.526 -4.705 . . . 1.0 . . . . . . . . . . . . A . 9 G HO2' . . . . . . . . . rr_1esh 1
. 1 . 279 . 1 1 9 G N1 N 1.334 -0.431 -7.174 . . . 1.0 . . . . . . . . . . . . A . 9 G N1 . . . . . . . . . rr_1esh 1
. 1 . 280 . 1 1 9 G N2 N 3.419 0.253 -6.448 . . . 1.0 . . . . . . . . . . . . A . 9 G N2 . . . . . . . . . rr_1esh 1
. 1 . 281 . 1 1 9 G N3 N 3.162 -1.965 -7.009 . . . 1.0 . . . . . . . . . . . . A . 9 G N3 . . . . . . . . . rr_1esh 1
. 1 . 282 . 1 1 9 G N7 N 0.321 -3.812 -8.198 . . . 1.0 . . . . . . . . . . . . A . 9 G N7 . . . . . . . . . rr_1esh 1
. 1 . 283 . 1 1 9 G N9 N 2.468 -4.195 -7.691 . . . 1.0 . . . . . . . . . . . . A . 9 G N9 . . . . . . . . . rr_1esh 1
. 1 . 284 . 1 1 9 G O2' O 3.754 -5.730 -5.200 . . . 1.0 . . . . . . . . . . . . A . 9 G O2' . . . . . . . . . rr_1esh 1
. 1 . 285 . 1 1 9 G O3' O 5.936 -6.431 -6.421 . . . 1.0 . . . . . . . . . . . . A . 9 G O3' . . . . . . . . . rr_1esh 1
. 1 . 286 . 1 1 9 G O4' O 4.199 -5.441 -8.729 . . . 1.0 . . . . . . . . . . . . A . 9 G O4' . . . . . . . . . rr_1esh 1
. 1 . 287 . 1 1 9 G O5' O 4.955 -7.896 -10.664 . . . 1.0 . . . . . . . . . . . . A . 9 G O5' . . . . . . . . . rr_1esh 1
. 1 . 288 . 1 1 9 G O6 O -0.758 -0.950 -7.870 . . . 1.0 . . . . . . . . . . . . A . 9 G O6 . . . . . . . . . rr_1esh 1
. 1 . 289 . 1 1 9 G OP1 O 5.775 -6.830 -12.780 . . . 1.0 . . . . . . . . . . . . A . 9 G OP1 . . . . . . . . . rr_1esh 1
. 1 . 290 . 1 1 9 G OP2 O 3.350 -7.634 -12.569 . . . 1.0 . . . . . . . . . . . . A . 9 G OP2 . . . . . . . . . rr_1esh 1
. 1 . 291 . 1 1 9 G P P 4.557 -7.030 -11.962 . . . 1.0 . . . . . . . . . . . . A . 9 G P . . . . . . . . . rr_1esh 1
. 1 . 292 . 1 1 10 C C1' C 6.907 -1.692 -3.857 . . . 1.0 . . . . . . . . . . . . A . 10 C C1' . . . . . . . . . rr_1esh 1
. 1 . 293 . 1 1 10 C C2 C 4.670 -0.654 -3.966 . . . 1.0 . . . . . . . . . . . . A . 10 C C2 . . . . . . . . . rr_1esh 1
. 1 . 294 . 1 1 10 C C2' C 7.407 -1.866 -2.422 . . . 1.0 . . . . . . . . . . . . A . 10 C C2' . . . . . . . . . rr_1esh 1
. 1 . 295 . 1 1 10 C C3' C 7.705 -3.355 -2.379 . . . 1.0 . . . . . . . . . . . . A . 10 C C3' . . . . . . . . . rr_1esh 1
. 1 . 296 . 1 1 10 C C4 C 2.725 -1.959 -4.103 . . . 1.0 . . . . . . . . . . . . A . 10 C C4 . . . . . . . . . rr_1esh 1
. 1 . 297 . 1 1 10 C C4' C 8.274 -3.618 -3.761 . . . 1.0 . . . . . . . . . . . . A . 10 C C4' . . . . . . . . . rr_1esh 1
. 1 . 298 . 1 1 10 C C5 C 3.499 -3.160 -4.088 . . . 1.0 . . . . . . . . . . . . A . 10 C C5 . . . . . . . . . rr_1esh 1
. 1 . 299 . 1 1 10 C C5' C 8.147 -5.058 -4.247 . . . 1.0 . . . . . . . . . . . . A . 10 C C5' . . . . . . . . . rr_1esh 1
. 1 . 300 . 1 1 10 C C6 C 4.838 -3.046 -4.017 . . . 1.0 . . . . . . . . . . . . A . 10 C C6 . . . . . . . . . rr_1esh 1
. 1 . 301 . 1 1 10 C H1' H 7.231 -0.734 -4.271 . . . 1.0 . . . . . . . . . . . . A . 10 C H1' . . . . . . . . . rr_1esh 1
. 1 . 302 . 1 1 10 C H2' H 6.634 -1.598 -1.702 . . . 1.0 . . . . . . . . . . . . A . 10 C H2' . . . . . . . . . rr_1esh 1
. 1 . 303 . 1 1 10 C H3' H 6.833 -3.965 -2.146 . . . 1.0 . . . . . . . . . . . . A . 10 C H3' . . . . . . . . . rr_1esh 1
. 1 . 304 . 1 1 10 C H4' H 9.322 -3.321 -3.805 . . . 1.0 . . . . . . . . . . . . A . 10 C H4' . . . . . . . . . rr_1esh 1
. 1 . 305 . 1 1 10 C H41 H 0.871 -1.134 -4.261 . . . 1.0 . . . . . . . . . . . . A . 10 C H41 . . . . . . . . . rr_1esh 1
. 1 . 306 . 1 1 10 C H42 H 0.912 -2.881 -4.177 . . . 1.0 . . . . . . . . . . . . A . 10 C H42 . . . . . . . . . rr_1esh 1
. 1 . 307 . 1 1 10 C H5 H 3.027 -4.140 -4.107 . . . 1.0 . . . . . . . . . . . . A . 10 C H5 . . . . . . . . . rr_1esh 1
. 1 . 308 . 1 1 10 C H5' H 8.544 -5.128 -5.259 . . . 1.0 . . . . . . . . . . . . A . 10 C H5' . . . . . . . . . rr_1esh 1
. 1 . 309 . 1 1 10 C H5'' H 8.729 -5.707 -3.592 . . . 1.0 . . . . . . . . . . . . A . 10 C H5'' . . . . . . . . . rr_1esh 1
. 1 . 310 . 1 1 10 C H6 H 5.455 -3.944 -4.026 . . . 1.0 . . . . . . . . . . . . A . 10 C H6 . . . . . . . . . rr_1esh 1
. 1 . 311 . 1 1 10 C HO2' H 9.242 -1.693 -1.802 . . . 1.0 . . . . . . . . . . . . A . 10 C HO2' . . . . . . . . . rr_1esh 1
. 1 . 312 . 1 1 10 C N1 N 5.432 -1.819 -3.955 . . . 1.0 . . . . . . . . . . . . A . 10 C N1 . . . . . . . . . rr_1esh 1
. 1 . 313 . 1 1 10 C N3 N 3.315 -0.761 -4.043 . . . 1.0 . . . . . . . . . . . . A . 10 C N3 . . . . . . . . . rr_1esh 1
. 1 . 314 . 1 1 10 C N4 N 1.396 -1.995 -4.188 . . . 1.0 . . . . . . . . . . . . A . 10 C N4 . . . . . . . . . rr_1esh 1
. 1 . 315 . 1 1 10 C O2 O 5.217 0.445 -3.901 . . . 1.0 . . . . . . . . . . . . A . 10 C O2 . . . . . . . . . rr_1esh 1
. 1 . 316 . 1 1 10 C O2' O 8.600 -1.107 -2.209 . . . 1.0 . . . . . . . . . . . . A . 10 C O2' . . . . . . . . . rr_1esh 1
. 1 . 317 . 1 1 10 C O3' O 8.760 -3.556 -1.438 . . . 1.0 . . . . . . . . . . . . A . 10 C O3' . . . . . . . . . rr_1esh 1
. 1 . 318 . 1 1 10 C O4' O 7.510 -2.759 -4.614 . . . 1.0 . . . . . . . . . . . . A . 10 C O4' . . . . . . . . . rr_1esh 1
. 1 . 319 . 1 1 10 C O5' O 6.786 -5.498 -4.249 . . . 1.0 . . . . . . . . . . . . A . 10 C O5' . . . . . . . . . rr_1esh 1
. 1 . 320 . 1 1 10 C OP1 O 7.605 -7.718 -5.068 . . . 1.0 . . . . . . . . . . . . A . 10 C OP1 . . . . . . . . . rr_1esh 1
. 1 . 321 . 1 1 10 C OP2 O 5.193 -7.432 -4.248 . . . 1.0 . . . . . . . . . . . . A . 10 C OP2 . . . . . . . . . rr_1esh 1
. 1 . 322 . 1 1 10 C P P 6.383 -6.892 -4.945 . . . 1.0 . . . . . . . . . . . . A . 10 C P . . . . . . . . . rr_1esh 1
. 1 . 323 . 1 1 11 A C1' C 4.842 -0.116 -0.036 . . . 1.0 . . . . . . . . . . . . A . 11 A C1' . . . . . . . . . rr_1esh 1
. 1 . 324 . 1 1 11 A C2 C 0.650 0.305 -0.971 . . . 1.0 . . . . . . . . . . . . A . 11 A C2 . . . . . . . . . rr_1esh 1
. 1 . 325 . 1 1 11 A C2' C 4.732 0.044 1.481 . . . 1.0 . . . . . . . . . . . . A . 11 A C2' . . . . . . . . . rr_1esh 1
. 1 . 326 . 1 1 11 A C3' C 5.923 -0.755 1.990 . . . 1.0 . . . . . . . . . . . . A . 11 A C3' . . . . . . . . . rr_1esh 1
. 1 . 327 . 1 1 11 A C4 C 2.536 -0.804 -0.801 . . . 1.0 . . . . . . . . . . . . A . 11 A C4 . . . . . . . . . rr_1esh 1
. 1 . 328 . 1 1 11 A C4' C 6.953 -0.554 0.898 . . . 1.0 . . . . . . . . . . . . A . 11 A C4' . . . . . . . . . rr_1esh 1
. 1 . 329 . 1 1 11 A C5 C 1.974 -1.968 -1.236 . . . 1.0 . . . . . . . . . . . . A . 11 A C5 . . . . . . . . . rr_1esh 1
. 1 . 330 . 1 1 11 A C5' C 8.047 -1.614 0.829 . . . 1.0 . . . . . . . . . . . . A . 11 A C5' . . . . . . . . . rr_1esh 1
. 1 . 331 . 1 1 11 A C6 C 0.606 -1.922 -1.554 . . . 1.0 . . . . . . . . . . . . A . 11 A C6 . . . . . . . . . rr_1esh 1
. 1 . 332 . 1 1 11 A C8 C 4.017 -2.412 -0.856 . . . 1.0 . . . . . . . . . . . . A . 11 A C8 . . . . . . . . . rr_1esh 1
. 1 . 333 . 1 1 11 A H1' H 4.698 0.841 -0.536 . . . 1.0 . . . . . . . . . . . . A . 11 A H1' . . . . . . . . . rr_1esh 1
. 1 . 334 . 1 1 11 A H2 H 0.078 1.228 -0.872 . . . 1.0 . . . . . . . . . . . . A . 11 A H2 . . . . . . . . . rr_1esh 1
. 1 . 335 . 1 1 11 A H2' H 3.798 -0.382 1.841 . . . 1.0 . . . . . . . . . . . . A . 11 A H2' . . . . . . . . . rr_1esh 1
. 1 . 336 . 1 1 11 A H3' H 5.693 -1.802 2.184 . . . 1.0 . . . . . . . . . . . . A . 11 A H3' . . . . . . . . . rr_1esh 1
. 1 . 337 . 1 1 11 A H4' H 7.419 0.427 0.988 . . . 1.0 . . . . . . . . . . . . A . 11 A H4' . . . . . . . . . rr_1esh 1
. 1 . 338 . 1 1 11 A H5' H 8.714 -1.381 0.000 . . . 1.0 . . . . . . . . . . . . A . 11 A H5' . . . . . . . . . rr_1esh 1
. 1 . 339 . 1 1 11 A H5'' H 8.616 -1.597 1.759 . . . 1.0 . . . . . . . . . . . . A . 11 A H5'' . . . . . . . . . rr_1esh 1
. 1 . 340 . 1 1 11 A H61 H -1.049 -2.858 -2.285 . . . 1.0 . . . . . . . . . . . . A . 11 A H61 . . . . . . . . . rr_1esh 1
. 1 . 341 . 1 1 11 A H62 H 0.352 -3.880 -2.050 . . . 1.0 . . . . . . . . . . . . A . 11 A H62 . . . . . . . . . rr_1esh 1
. 1 . 342 . 1 1 11 A H8 H 4.966 -2.938 -0.756 . . . 1.0 . . . . . . . . . . . . A . 11 A H8 . . . . . . . . . rr_1esh 1
. 1 . 343 . 1 1 11 A HO2' H 4.345 1.544 2.658 . . . 1.0 . . . . . . . . . . . . A . 11 A HO2' . . . . . . . . . rr_1esh 1
. 1 . 344 . 1 1 11 A N1 N -0.031 -0.748 -1.406 . . . 1.0 . . . . . . . . . . . . A . 11 A N1 . . . . . . . . . rr_1esh 1
. 1 . 345 . 1 1 11 A N3 N 1.928 0.390 -0.640 . . . 1.0 . . . . . . . . . . . . A . 11 A N3 . . . . . . . . . rr_1esh 1
. 1 . 346 . 1 1 11 A N6 N -0.086 -2.972 -1.998 . . . 1.0 . . . . . . . . . . . . A . 11 A N6 . . . . . . . . . rr_1esh 1
. 1 . 347 . 1 1 11 A N7 N 2.920 -2.989 -1.270 . . . 1.0 . . . . . . . . . . . . A . 11 A N7 . . . . . . . . . rr_1esh 1
. 1 . 348 . 1 1 11 A N9 N 3.856 -1.083 -0.553 . . . 1.0 . . . . . . . . . . . . A . 11 A N9 . . . . . . . . . rr_1esh 1
. 1 . 349 . 1 1 11 A O2' O 4.852 1.420 1.853 . . . 1.0 . . . . . . . . . . . . A . 11 A O2' . . . . . . . . . rr_1esh 1
. 1 . 350 . 1 1 11 A O3' O 6.407 -0.087 3.159 . . . 1.0 . . . . . . . . . . . . A . 11 A O3' . . . . . . . . . rr_1esh 1
. 1 . 351 . 1 1 11 A O4' O 6.175 -0.588 -0.299 . . . 1.0 . . . . . . . . . . . . A . 11 A O4' . . . . . . . . . rr_1esh 1
. 1 . 352 . 1 1 11 A O5' O 7.508 -2.923 0.638 . . . 1.0 . . . . . . . . . . . . A . 11 A O5' . . . . . . . . . rr_1esh 1
. 1 . 353 . 1 1 11 A OP1 O 9.694 -4.133 0.815 . . . 1.0 . . . . . . . . . . . . A . 11 A OP1 . . . . . . . . . rr_1esh 1
. 1 . 354 . 1 1 11 A OP2 O 7.606 -5.319 -0.083 . . . 1.0 . . . . . . . . . . . . A . 11 A OP2 . . . . . . . . . rr_1esh 1
. 1 . 355 . 1 1 11 A P P 8.432 -4.097 0.042 . . . 1.0 . . . . . . . . . . . . A . 11 A P . . . . . . . . . rr_1esh 1
. 1 . 356 . 1 1 12 C C1' C 1.021 1.956 3.865 . . . 1.0 . . . . . . . . . . . . A . 12 C C1' . . . . . . . . . rr_1esh 1
. 1 . 357 . 1 1 12 C C2 C -0.513 0.446 2.665 . . . 1.0 . . . . . . . . . . . . A . 12 C C2 . . . . . . . . . rr_1esh 1
. 1 . 358 . 1 1 12 C C2' C 0.607 2.042 5.336 . . . 1.0 . . . . . . . . . . . . A . 12 C C2' . . . . . . . . . rr_1esh 1
. 1 . 359 . 1 1 12 C C3' C 1.905 1.694 6.048 . . . 1.0 . . . . . . . . . . . . A . 12 C C3' . . . . . . . . . rr_1esh 1
. 1 . 360 . 1 1 12 C C4 C 0.087 -1.773 2.189 . . . 1.0 . . . . . . . . . . . . A . 12 C C4 . . . . . . . . . rr_1esh 1
. 1 . 361 . 1 1 12 C C4' C 2.958 2.336 5.165 . . . 1.0 . . . . . . . . . . . . A . 12 C C4' . . . . . . . . . rr_1esh 1
. 1 . 362 . 1 1 12 C C5 C 1.357 -1.592 2.821 . . . 1.0 . . . . . . . . . . . . A . 12 C C5 . . . . . . . . . rr_1esh 1
. 1 . 363 . 1 1 12 C C5' C 4.349 1.714 5.260 . . . 1.0 . . . . . . . . . . . . A . 12 C C5' . . . . . . . . . rr_1esh 1
. 1 . 364 . 1 1 12 C C6 C 1.631 -0.384 3.349 . . . 1.0 . . . . . . . . . . . . A . 12 C C6 . . . . . . . . . rr_1esh 1
. 1 . 365 . 1 1 12 C H1' H 0.539 2.741 3.277 . . . 1.0 . . . . . . . . . . . . A . 12 C H1' . . . . . . . . . rr_1esh 1
. 1 . 366 . 1 1 12 C H2' H -0.173 1.316 5.565 . . . 1.0 . . . . . . . . . . . . A . 12 C H2' . . . . . . . . . rr_1esh 1
. 1 . 367 . 1 1 12 C H3' H 2.050 0.622 6.186 . . . 1.0 . . . . . . . . . . . . A . 12 C H3' . . . . . . . . . rr_1esh 1
. 1 . 368 . 1 1 12 C H4' H 3.033 3.403 5.374 . . . 1.0 . . . . . . . . . . . . A . 12 C H4' . . . . . . . . . rr_1esh 1
. 1 . 369 . 1 1 12 C H41 H -1.154 -3.047 1.197 . . . 1.0 . . . . . . . . . . . . A . 12 C H41 . . . . . . . . . rr_1esh 1
. 1 . 370 . 1 1 12 C H42 H 0.386 -3.722 1.681 . . . 1.0 . . . . . . . . . . . . A . 12 C H42 . . . . . . . . . rr_1esh 1
. 1 . 371 . 1 1 12 C H5 H 2.087 -2.400 2.876 . . . 1.0 . . . . . . . . . . . . A . 12 C H5 . . . . . . . . . rr_1esh 1
. 1 . 372 . 1 1 12 C H5' H 5.072 2.390 4.802 . . . 1.0 . . . . . . . . . . . . A . 12 C H5' . . . . . . . . . rr_1esh 1
. 1 . 373 . 1 1 12 C H5'' H 4.607 1.579 6.311 . . . 1.0 . . . . . . . . . . . . A . 12 C H5'' . . . . . . . . . rr_1esh 1
. 1 . 374 . 1 1 12 C H6 H 2.589 -0.216 3.840 . . . 1.0 . . . . . . . . . . . . A . 12 C H6 . . . . . . . . . rr_1esh 1
. 1 . 375 . 1 1 12 C HO2' H 0.800 3.704 6.328 . . . 1.0 . . . . . . . . . . . . A . 12 C HO2' . . . . . . . . . rr_1esh 1
. 1 . 376 . 1 1 12 C N1 N 0.721 0.629 3.280 . . . 1.0 . . . . . . . . . . . . A . 12 C N1 . . . . . . . . . rr_1esh 1
. 1 . 377 . 1 1 12 C N3 N -0.800 -0.771 2.128 . . . 1.0 . . . . . . . . . . . . A . 12 C N3 . . . . . . . . . rr_1esh 1
. 1 . 378 . 1 1 12 C N4 N -0.254 -2.941 1.645 . . . 1.0 . . . . . . . . . . . . A . 12 C N4 . . . . . . . . . rr_1esh 1
. 1 . 379 . 1 1 12 C O2 O -1.323 1.369 2.615 . . . 1.0 . . . . . . . . . . . . A . 12 C O2 . . . . . . . . . rr_1esh 1
. 1 . 380 . 1 1 12 C O2' O 0.192 3.370 5.664 . . . 1.0 . . . . . . . . . . . . A . 12 C O2' . . . . . . . . . rr_1esh 1
. 1 . 381 . 1 1 12 C O3' O 1.906 2.397 7.293 . . . 1.0 . . . . . . . . . . . . A . 12 C O3' . . . . . . . . . rr_1esh 1
. 1 . 382 . 1 1 12 C O4' O 2.447 2.156 3.841 . . . 1.0 . . . . . . . . . . . . A . 12 C O4' . . . . . . . . . rr_1esh 1
. 1 . 383 . 1 1 12 C O5' O 4.412 0.448 4.598 . . . 1.0 . . . . . . . . . . . . A . 12 C O5' . . . . . . . . . rr_1esh 1
. 1 . 384 . 1 1 12 C OP1 O 6.674 0.154 5.638 . . . 1.0 . . . . . . . . . . . . A . 12 C OP1 . . . . . . . . . rr_1esh 1
. 1 . 385 . 1 1 12 C OP2 O 5.418 -1.846 4.644 . . . 1.0 . . . . . . . . . . . . A . 12 C OP2 . . . . . . . . . rr_1esh 1
. 1 . 386 . 1 1 12 C P P 5.776 -0.411 4.605 . . . 1.0 . . . . . . . . . . . . A . 12 C P . . . . . . . . . rr_1esh 1
. 1 . 387 . 1 1 13 C C1' C -2.981 0.304 5.957 . . . 1.0 . . . . . . . . . . . . A . 13 C C1' . . . . . . . . . rr_1esh 1
. 1 . 388 . 1 1 13 C C2 C -3.142 -1.734 4.596 . . . 1.0 . . . . . . . . . . . . A . 13 C C2 . . . . . . . . . rr_1esh 1
. 1 . 389 . 1 1 13 C C2' C -3.892 0.093 7.175 . . . 1.0 . . . . . . . . . . . . A . 13 C C2' . . . . . . . . . rr_1esh 1
. 1 . 390 . 1 1 13 C C3' C -3.084 0.691 8.328 . . . 1.0 . . . . . . . . . . . . A . 13 C C3' . . . . . . . . . rr_1esh 1
. 1 . 391 . 1 1 13 C C4 C -1.415 -3.322 4.551 . . . 1.0 . . . . . . . . . . . . A . 13 C C4 . . . . . . . . . rr_1esh 1
. 1 . 392 . 1 1 13 C C4' C -2.300 1.781 7.622 . . . 1.0 . . . . . . . . . . . . A . 13 C C4' . . . . . . . . . rr_1esh 1
. 1 . 393 . 1 1 13 C C5 C -0.635 -2.536 5.457 . . . 1.0 . . . . . . . . . . . . A . 13 C C5 . . . . . . . . . rr_1esh 1
. 1 . 394 . 1 1 13 C C5' C -1.051 2.260 8.354 . . . 1.0 . . . . . . . . . . . . A . 13 C C5' . . . . . . . . . rr_1esh 1
. 1 . 395 . 1 1 13 C C6 C -1.158 -1.374 5.892 . . . 1.0 . . . . . . . . . . . . A . 13 C C6 . . . . . . . . . rr_1esh 1
. 1 . 396 . 1 1 13 C H1' H -3.523 0.789 5.143 . . . 1.0 . . . . . . . . . . . . A . 13 C H1' . . . . . . . . . rr_1esh 1
. 1 . 397 . 1 1 13 C H2' H -4.077 -0.968 7.342 . . . 1.0 . . . . . . . . . . . . A . 13 C H2' . . . . . . . . . rr_1esh 1
. 1 . 398 . 1 1 13 C H3' H -2.417 -0.051 8.765 . . . 1.0 . . . . . . . . . . . . A . 13 C H3' . . . . . . . . . rr_1esh 1
. 1 . 399 . 1 1 13 C H4' H -2.938 2.639 7.410 . . . 1.0 . . . . . . . . . . . . A . 13 C H4' . . . . . . . . . rr_1esh 1
. 1 . 400 . 1 1 13 C H41 H -1.523 -5.017 3.429 . . . 1.0 . . . . . . . . . . . . A . 13 C H41 . . . . . . . . . rr_1esh 1
. 1 . 401 . 1 1 13 C H42 H -0.064 -4.834 4.375 . . . 1.0 . . . . . . . . . . . . A . 13 C H42 . . . . . . . . . rr_1esh 1
. 1 . 402 . 1 1 13 C H5 H 0.352 -2.860 5.789 . . . 1.0 . . . . . . . . . . . . A . 13 C H5 . . . . . . . . . rr_1esh 1
. 1 . 403 . 1 1 13 C H5' H -0.655 3.138 7.845 . . . 1.0 . . . . . . . . . . . . A . 13 C H5' . . . . . . . . . rr_1esh 1
. 1 . 404 . 1 1 13 C H5'' H -1.319 2.531 9.375 . . . 1.0 . . . . . . . . . . . . A . 13 C H5'' . . . . . . . . . rr_1esh 1
. 1 . 405 . 1 1 13 C H6 H -0.589 -0.753 6.585 . . . 1.0 . . . . . . . . . . . . A . 13 C H6 . . . . . . . . . rr_1esh 1
. 1 . 406 . 1 1 13 C HO2' H -5.389 1.123 7.871 . . . 1.0 . . . . . . . . . . . . A . 13 C HO2' . . . . . . . . . rr_1esh 1
. 1 . 407 . 1 1 13 C HO3' H -3.854 2.206 9.274 . . . 1.0 . . . . . . . . . . . . A . 13 C HO3' . . . . . . . . . rr_1esh 1
. 1 . 408 . 1 1 13 C N1 N -2.392 -0.967 5.476 . . . 1.0 . . . . . . . . . . . . A . 13 C N1 . . . . . . . . . rr_1esh 1
. 1 . 409 . 1 1 13 C N3 N -2.625 -2.911 4.149 . . . 1.0 . . . . . . . . . . . . A . 13 C N3 . . . . . . . . . rr_1esh 1
. 1 . 410 . 1 1 13 C N4 N -0.964 -4.485 4.080 . . . 1.0 . . . . . . . . . . . . A . 13 C N4 . . . . . . . . . rr_1esh 1
. 1 . 411 . 1 1 13 C O2 O -4.252 -1.350 4.233 . . . 1.0 . . . . . . . . . . . . A . 13 C O2 . . . . . . . . . rr_1esh 1
. 1 . 412 . 1 1 13 C O2' O -5.120 0.807 7.005 . . . 1.0 . . . . . . . . . . . . A . 13 C O2' . . . . . . . . . rr_1esh 1
. 1 . 413 . 1 1 13 C O3' O -3.954 1.253 9.314 . . . 1.0 . . . . . . . . . . . . A . 13 C O3' . . . . . . . . . rr_1esh 1
. 1 . 414 . 1 1 13 C O4' O -1.926 1.166 6.396 . . . 1.0 . . . . . . . . . . . . A . 13 C O4' . . . . . . . . . rr_1esh 1
. 1 . 415 . 1 1 13 C O5' O -0.041 1.248 8.390 . . . 1.0 . . . . . . . . . . . . A . 13 C O5' . . . . . . . . . rr_1esh 1
. 1 . 416 . 1 1 13 C OP1 O 1.542 2.624 9.761 . . . 1.0 . . . . . . . . . . . . A . 13 C OP1 . . . . . . . . . rr_1esh 1
. 1 . 417 . 1 1 13 C OP2 O 2.286 0.392 8.746 . . . 1.0 . . . . . . . . . . . . A . 13 C OP2 . . . . . . . . . rr_1esh 1
. 1 . 418 . 1 1 13 C P P 1.498 1.641 8.655 . . . 1.0 . . . . . . . . . . . . A . 13 C P . . . . . . . . . rr_1esh 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_1esh
_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 1esh.mr . . "MR format" 1 comment "Not applicable" "Not applicable" 0 rr_1esh 1
1 1esh.mr . . XPLOR/CNS 2 distance "hydrogen bond" simple 20 rr_1esh 1
1 1esh.mr . . XPLOR/CNS 3 distance NOE simple 164 rr_1esh 1
1 1esh.mr . . n/a 4 comment "Not applicable" "Not applicable" 0 rr_1esh 1
1 1esh.mr . . XPLOR/CNS 5 "dihedral angle" "Not applicable" "Not applicable" 35 rr_1esh 1
1 1esh.mr . . XPLOR/CNS 6 "dihedral angle" "Not applicable" "Not applicable" 16 rr_1esh 1
1 1esh.mr . . XPLOR/CNS 7 "dihedral angle" "Not applicable" "Not applicable" 12 rr_1esh 1
1 1esh.mr . . XPLOR/CNS 8 "dihedral angle" "Not applicable" "Not applicable" 12 rr_1esh 1
1 1esh.mr . . XPLOR/CNS 9 "dihedral angle" "Not applicable" "Not applicable" 37 rr_1esh 1
1 1esh.mr . . n/a 10 comment "Not applicable" "Not applicable" 0 rr_1esh 1
1 1esh.mr . . "MR format" 11 "nomenclature mapping" "Not applicable" "Not applicable" 0 rr_1esh 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_1esh
_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: '1esh'" . . . . distance "general distance" . 164 rr_1esh 1
2 "From CCPN project: '1esh'" . . . . distance "hydrogen bond" . 20 rr_1esh 1
3 "From CCPN project: '1esh'" . . . . "dihedral angle" "Not applicable" . 35 rr_1esh 1
4 "From CCPN project: '1esh'" . . . . "dihedral angle" "Not applicable" . 16 rr_1esh 1
6 "From CCPN project: '1esh'" . . . . "dihedral angle" "Not applicable" . 12 rr_1esh 1
7 "From CCPN project: '1esh'" . . . . "dihedral angle" "Not applicable" . 37 rr_1esh 1
5 "From CCPN project: '1esh'" . . . . "dihedral angle" "Not applicable" . 12 rr_1esh 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 1esh.mr . . "MR format" 1 comment "Not applicable" "Not applicable" 0 rr_1esh 1
1 1esh.mr . . XPLOR/CNS 2 distance "hydrogen bond" simple 20 rr_1esh 1
1 1esh.mr . . XPLOR/CNS 3 distance NOE simple 164 rr_1esh 1
1 1esh.mr . . n/a 4 comment "Not applicable" "Not applicable" 0 rr_1esh 1
1 1esh.mr . . XPLOR/CNS 5 "dihedral angle" "Not applicable" "Not applicable" 35 rr_1esh 1
1 1esh.mr . . XPLOR/CNS 6 "dihedral angle" "Not applicable" "Not applicable" 16 rr_1esh 1
1 1esh.mr . . XPLOR/CNS 7 "dihedral angle" "Not applicable" "Not applicable" 12 rr_1esh 1
1 1esh.mr . . XPLOR/CNS 8 "dihedral angle" "Not applicable" "Not applicable" 12 rr_1esh 1
1 1esh.mr . . XPLOR/CNS 9 "dihedral angle" "Not applicable" "Not applicable" 37 rr_1esh 1
1 1esh.mr . . n/a 10 comment "Not applicable" "Not applicable" 0 rr_1esh 1
1 1esh.mr . . "MR format" 11 "nomenclature mapping" "Not applicable" "Not applicable" 0 rr_1esh 1
stop_
save_
save_CNS/XPLOR_distance_constraints_3
_Gen_dist_constraint_list.Sf_category general_distance_constraints
_Gen_dist_constraint_list.Sf_framecode CNS/XPLOR_distance_constraints_3
_Gen_dist_constraint_list.Entry_ID rr_1esh
_Gen_dist_constraint_list.ID 2
_Gen_dist_constraint_list.Constraint_type NOE
_Gen_dist_constraint_list.Details "Generated by Wattos"
_Gen_dist_constraint_list.Constraint_file_ID 1
_Gen_dist_constraint_list.Block_ID 3
loop_
_Gen_dist_constraint_software.Software_ID
_Gen_dist_constraint_software.Software_label
_Gen_dist_constraint_software.Method_ID
_Gen_dist_constraint_software.Method_label
_Gen_dist_constraint_software.Entry_ID
_Gen_dist_constraint_software.Gen_dist_constraint_list_ID
. . . . rr_1esh 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 2 2 G H1 H . . . 1 1 3 3 U H3 H . . . . . 1.8 1.8 5.0 . . . . . A . 2 G H1 . . A . 3 U H3 . . . 2 . H1 . . . . . 3 . H3 . . rr_1esh 1
2 1 . . 1 1 3 3 U H3 H . . . 1 1 4 4 G H1 H . . . . . 1.8 1.8 5.0 . . . . . A . 3 U H3 . . A . 4 G H1 . . . 3 . H3 . . . . . 4 . H1 . . rr_1esh 1
3 1 . . 1 1 4 4 G H1 H . . . 1 1 9 9 G H1 H . . . . . 1.8 1.8 5.0 . . . . . A . 4 G H1 . . A . 9 G H1 . . . 4 . H1 . . . . . 9 . H1 . . rr_1esh 1
4 1 . . 1 1 2 2 G H1 H . . . 1 1 12 12 C H41 H . . . . . 1.8 1.8 5.0 . . . . . A . 2 G H1 . . A . 12 C H41 . . . 2 . H1 . . . . . 12 . H41 . . rr_1esh 1
5 1 . . 1 1 2 2 G H1 H . . . 1 1 12 12 C H42 H . . . . . 1.8 1.8 5.0 . . . . . A . 2 G H1 . . A . 12 C H42 . . . 2 . H1 . . . . . 12 . H42 . . rr_1esh 1
6 1 . . 1 1 3 3 U H3 H . . . 1 1 11 11 A H2 H . . . . . 1.8 1.8 5.0 . . . . . A . 3 U H3 . . A . 11 A H2 . . . 3 . H3 . . . . . 11 . H2 . . rr_1esh 1
7 1 . . 1 1 4 4 G H1 H . . . 1 1 10 10 C H41 H . . . . . 1.8 1.8 5.0 . . . . . A . 4 G H1 . . A . 10 C H41 . . . 4 . H1 . . . . . 10 . H41 . . rr_1esh 1
8 1 . . 1 1 4 4 G H1 H . . . 1 1 10 10 C H42 H . . . . . 1.8 1.8 5.0 . . . . . A . 4 G H1 . . A . 10 C H42 . . . 4 . H1 . . . . . 10 . H42 . . rr_1esh 1
9 1 . . 1 1 9 9 G H1 H . . . 1 1 5 5 C H41 H . . . . . 1.8 1.8 5.0 . . . . . A . 9 G H1 . . A . 5 C H41 . . . 9 . H1 . . . . . 5 . H41 . . rr_1esh 1
10 1 . . 1 1 9 9 G H1 H . . . 1 1 5 5 C H42 H . . . . . 1.8 1.8 5.0 . . . . . A . 9 G H1 . . A . 5 C H42 . . . 9 . H1 . . . . . 5 . H42 . . rr_1esh 1
11 1 . . 1 1 9 9 G H1 H . . . 1 1 6 6 A H1' H . . . . . 1.8 1.8 5.0 . . . . . A . 9 G H1 . . A . 6 A H1' . . . 9 . H1 . . . . . 6 . H1' . . rr_1esh 1
12 1 . . 1 1 9 9 G H1 H . . . 1 1 8 8 A H2 H . . . . . 1.8 1.8 5.0 . . . . . A . 9 G H1 . . A . 8 A H2 . . . 9 . H1 . . . . . 8 . H2 . . rr_1esh 1
13 1 . . 1 1 1 1 G H1' H . . . 1 1 1 1 G H2' H . . . . . 1.8 1.8 3.2 . . . . . A . 1 G H1' . . A . 1 G H2' . . . 1 . H1' . . . . . 1 . H2'' . . rr_1esh 1
14 1 . . 1 1 1 1 G H1' H . . . 1 1 1 1 G H8 H . . . . . 2.5 2.5 5.0 . . . . . A . 1 G H8 . . A . 1 G H1' . . . 1 . H8 . . . . . 1 . H1' . . rr_1esh 1
15 1 . . 1 1 1 1 G H2' H . . . 1 1 1 1 G H8 H . . . . . 2.0 2.0 4.0 . . . . . A . 1 G H8 . . A . 1 G H2' . . . 1 . H8 . . . . . 1 . H2'' . . rr_1esh 1
16 1 . . 1 1 1 1 G H8 H . . . 1 1 1 1 G H3' H . . . . . 2.5 2.5 5.0 . . . . . A . 1 G H8 . . A . 1 G H3' . . . 1 . H8 . . . . . 1 . H3' . . rr_1esh 1
17 1 . . 1 1 1 1 G H8 H . . . 1 1 2 2 G H8 H . . . . . 3.0 3.0 7.0 . . . . . A . 1 G H8 . . A . 2 G H8 . . . 1 . H8 . . . . . 2 . H8 . . rr_1esh 1
18 1 . . 1 1 1 1 G H8 H . . . 1 1 1 1 G H4' H . . . . . 2.5 2.5 5.0 . . . . . A . 1 G H8 . . A . 1 G H4' . . . 1 . H8 . . . . . 1 . H4' . . rr_1esh 1
19 1 . . 1 1 2 2 G H1' H . . . 1 1 2 2 G H2' H . . . . . 1.8 1.8 3.2 . . . . . A . 2 G H1' . . A . 2 G H2' . . . 2 . H1' . . . . . 2 . H2'' . . rr_1esh 1
20 1 . . 1 1 2 2 G H1' H . . . 1 1 3 3 U H5 H . . . . . 3.0 3.0 7.0 . . . . . A . 2 G H1' . . A . 3 U H5 . . . 2 . H1' . . . . . 3 . H5 . . rr_1esh 1
21 1 . . 1 1 1 1 G H1' H . . . 1 1 2 2 G H8 H . . . . . 2.5 2.5 5.0 . . . . . A . 2 G H8 . . A . 1 G H1' . . . 2 . H8 . . . . . 1 . H1' . . rr_1esh 1
22 1 . . 1 1 2 2 G H8 H . . . 1 1 2 2 G H1' H . . . . . 2.5 2.5 5.0 . . . . . A . 2 G H8 . . A . 2 G H1' . . . 2 . H8 . . . . . 2 . H1' . . rr_1esh 1
23 1 . . 1 1 1 1 G H2' H . . . 1 1 2 2 G H8 H . . . . . 1.8 1.8 3.2 . . . . . A . 2 G H8 . . A . 1 G H2' . . . 2 . H8 . . . . . 1 . H2'' . . rr_1esh 1
24 1 . . 1 1 1 1 G H3' H . . . 1 1 2 2 G H8 H . . . . . 3.0 3.0 7.0 . . . . . A . 2 G H8 . . A . 1 G H3' . . . 2 . H8 . . . . . 1 . H3' . . rr_1esh 1
25 1 . . 1 1 2 2 G H8 H . . . 1 1 2 2 G H3' H . . . . . 2.0 2.0 4.0 . . . . . A . 2 G H8 . . A . 2 G H3' . . . 2 . H8 . . . . . 2 . H3' . . rr_1esh 1
26 1 . . 1 1 2 2 G H8 H . . . 1 1 3 3 U H6 H . . . . . 3.0 3.0 7.0 . . . . . A . 2 G H8 . . A . 3 U H6 . . . 2 . H8 . . . . . 3 . H6 . . rr_1esh 1
27 1 . . 1 1 2 2 G H8 H . . . 1 1 3 3 U H5 H . . . . . 3.0 3.0 7.0 . . . . . A . 2 G H8 . . A . 3 U H5 . . . 2 . H8 . . . . . 3 . H5 . . rr_1esh 1
28 1 . . 1 1 2 2 G H8 H . . . 1 1 2 2 G H4' H . . . . . 3.0 3.0 7.0 . . . . . A . 2 G H8 . . A . 2 G H4' . . . 2 . H8 . . . . . 2 . H4' . . rr_1esh 1
29 1 . . 1 1 3 3 U H1' H . . . 1 1 3 3 U H2' H . . . . . 1.8 1.8 3.2 . . . . . A . 3 U H1' . . A . 3 U H2' . . . 3 . H1' . . . . . 3 . H2'' . . rr_1esh 1
30 1 . . 1 1 2 2 G H1' H . . . 1 1 3 3 U H6 H . . . . . 2.5 2.5 5.0 . . . . . A . 3 U H6 . . A . 2 G H1' . . . 3 . H6 . . . . . 2 . H1' . . rr_1esh 1
31 1 . . 1 1 3 3 U H6 H . . . 1 1 3 3 U H1' H . . . . . 2.5 2.5 5.0 . . . . . A . 3 U H6 . . A . 3 U H1' . . . 3 . H6 . . . . . 3 . H1' . . rr_1esh 1
32 1 . . 1 1 2 2 G H2' H . . . 1 1 3 3 U H6 H . . . . . 1.8 1.8 3.2 . . . . . A . 3 U H6 . . A . 2 G H2' . . . 3 . H6 . . . . . 2 . H2'' . . rr_1esh 1
33 1 . . 1 1 3 3 U H6 H . . . 1 1 3 3 U H2' H . . . . . 2.0 2.0 4.0 . . . . . A . 3 U H6 . . A . 3 U H2' . . . 3 . H6 . . . . . 3 . H2'' . . rr_1esh 1
34 1 . . 1 1 3 3 U H5 H . . . 1 1 3 3 U H6 H . . . . . 1.8 1.8 3.2 . . . . . A . 3 U H6 . . A . 3 U H5 . . . 3 . H6 . . . . . 3 . H5 . . rr_1esh 1
35 1 . . 1 1 3 3 U H6 H . . . 1 1 4 4 G H8 H . . . . . 3.0 3.0 7.0 . . . . . A . 3 U H6 . . A . 4 G H8 . . . 3 . H6 . . . . . 4 . H8 . . rr_1esh 1
36 1 . . 1 1 3 3 U H6 H . . . 1 1 3 3 U H3' H . . . . . 2.0 2.0 4.0 . . . . . A . 3 U H6 . . A . 3 U H3' . . . 3 . H6 . . . . . 3 . H3' . . rr_1esh 1
37 1 . . 1 1 4 4 G H1' H . . . 1 1 4 4 G H2' H . . . . . 1.8 1.8 3.2 . . . . . A . 4 G H1' . . A . 4 G H2' . . . 4 . H1' . . . . . 4 . H2'' . . rr_1esh 1
38 1 . . 1 1 4 4 G H8 H . . . 1 1 4 4 G H1' H . . . . . 2.5 2.5 5.0 . . . . . A . 4 G H8 . . A . 4 G H1' . . . 4 . H8 . . . . . 4 . H1' . . rr_1esh 1
39 1 . . 1 1 3 3 U H1' H . . . 1 1 4 4 G H8 H . . . . . 2.5 2.5 5.0 . . . . . A . 4 G H8 . . A . 3 U H1' . . . 4 . H8 . . . . . 3 . H1' . . rr_1esh 1
40 1 . . 1 1 3 3 U H2' H . . . 1 1 4 4 G H8 H . . . . . 1.8 1.8 3.2 . . . . . A . 4 G H8 . . A . 3 U H2' . . . 4 . H8 . . . . . 3 . H2'' . . rr_1esh 1
41 1 . . 1 1 4 4 G H8 H . . . 1 1 3 3 U H3' H . . . . . 2.5 2.5 5.0 . . . . . A . 4 G H8 . . A . 3 U H3' . . . 4 . H8 . . . . . 3 . H3' . . rr_1esh 1
42 1 . . 1 1 4 4 G H8 H . . . 1 1 4 4 G H2' H . . . . . 2.5 2.5 5.0 . . . . . A . 4 G H8 . . A . 4 G H2' . . . 4 . H8 . . . . . 4 . H2'' . . rr_1esh 1
43 1 . . 1 1 4 4 G H8 H . . . 1 1 4 4 G H3' H . . . . . 2.0 2.0 4.0 . . . . . A . 4 G H8 . . A . 4 G H3' . . . 4 . H8 . . . . . 4 . H3' . . rr_1esh 1
44 1 . . 1 1 4 4 G H8 H . . . 1 1 5 5 C H6 H . . . . . 3.0 3.0 7.0 . . . . . A . 4 G H8 . . A . 5 C H6 . . . 4 . H8 . . . . . 5 . H6 . . rr_1esh 1
45 1 . . 1 1 5 5 C H1' H . . . 1 1 5 5 C H2' H . . . . . 1.8 1.8 3.2 . . . . . A . 5 C H1' . . A . 5 C H2' . . . 5 . H1' . . . . . 5 . H2'' . . rr_1esh 1
46 1 . . 1 1 4 4 G H2' H . . . 1 1 5 5 C H1' H . . . . . 3.0 3.0 7.0 . . . . . A . 5 C H1' . . A . 4 G H2' . . . 5 . H1' . . . . . 4 . H2'' . . rr_1esh 1
47 1 . . 1 1 5 5 C H1' H . . . 1 1 5 5 C H5 H . . . . . 3.0 3.0 7.0 . . . . . A . 5 C H1' . . A . 5 C H5 . . . 5 . H1' . . . . . 5 . H5 . . rr_1esh 1
48 1 . . 1 1 4 4 G H2' H . . . 1 1 5 5 C H5 H . . . . . 2.5 2.5 5.0 . . . . . A . 5 C H5 . . A . 4 G H2' . . . 5 . H5 . . . . . 4 . H2'' . . rr_1esh 1
49 1 . . 1 1 4 4 G H3' H . . . 1 1 5 5 C H5 H . . . . . 2.5 2.5 5.0 . . . . . A . 5 C H5 . . A . 4 G H3' . . . 5 . H5 . . . . . 4 . H3' . . rr_1esh 1
50 1 . . 1 1 5 5 C H6 H . . . 1 1 5 5 C H5 H . . . . . 1.8 1.8 3.2 . . . . . A . 5 C H5 . . A . 5 C H6 . . . 5 . H5 . . . . . 5 . H6 . . rr_1esh 1
51 1 . . 1 1 4 4 G H2' H . . . 1 1 5 5 C H6 H . . . . . 1.8 1.8 3.2 . . . . . A . 5 C H6 . . A . 4 G H2' . . . 5 . H6 . . . . . 4 . H2'' . . rr_1esh 1
52 1 . . 1 1 5 5 C H6 H . . . 1 1 5 5 C H2' H . . . . . 2.0 2.0 4.0 . . . . . A . 5 C H6 . . A . 5 C H2' . . . 5 . H6 . . . . . 5 . H2'' . . rr_1esh 1
53 1 . . 1 1 4 4 G H1' H . . . 1 1 5 5 C H6 H . . . . . 2.5 2.5 5.0 . . . . . A . 5 C H6 . . A . 4 G H1' . . . 5 . H6 . . . . . 4 . H1' . . rr_1esh 1
54 1 . . 1 1 4 4 G H3' H . . . 1 1 5 5 C H6 H . . . . . 2.5 2.5 5.0 . . . . . A . 5 C H6 . . A . 4 G H3' . . . 5 . H6 . . . . . 4 . H3' . . rr_1esh 1
55 1 . . 1 1 5 5 C H6 H . . . 1 1 5 5 C H3' H . . . . . 2.0 2.0 4.0 . . . . . A . 5 C H6 . . A . 5 C H3' . . . 5 . H6 . . . . . 5 . H3' . . rr_1esh 1
56 1 . . 1 1 5 5 C H6 H . . . 1 1 5 5 C H1' H . . . . . 2.5 2.5 5.0 . . . . . A . 5 C H6 . . A . 5 C H1' . . . 5 . H6 . . . . . 5 . H1' . . rr_1esh 1
57 1 . . 1 1 5 5 C H6 H . . . 1 1 6 6 A H8 H . . . . . 3.0 3.0 7.0 . . . . . A . 5 C H6 . . A . 6 A H8 . . . 5 . H6 . . . . . 6 . H8 . . rr_1esh 1
58 1 . . 1 1 5 5 C H6 H . . . 1 1 5 5 C H4' H . . . . . 3.0 3.0 7.0 . . . . . A . 5 C H6 . . A . 5 C H4' . . . 5 . H6 . . . . . 5 . H4' . . rr_1esh 1
59 1 . . 1 1 5 5 C H6 H . . . 1 1 5 5 C H5' H . . . . . 3.0 3.0 7.0 . . . . . A . 5 C H6 . . A . 5 C H5' . . . 5 . H6 . . . . . 5 . H5' . . rr_1esh 1
60 1 . . 1 1 6 6 A H1' H . . . 1 1 5 5 C H5' H . . . . . 3.0 3.0 7.0 . . . . . A . 6 A H1' . . A . 5 C H5' . . . 6 . H1' . . . . . 5 . H5' . . rr_1esh 1
61 1 . . 1 1 6 6 A H1' H . . . 1 1 6 6 A H2' H . . . . . 1.8 1.8 3.2 . . . . . A . 6 A H1' . . A . 6 A H2' . . . 6 . H1' . . . . . 6 . H2'' . . rr_1esh 1
62 1 . . 1 1 6 6 A H1' H . . . 1 1 6 6 A H5' H . . . . . 3.0 3.0 7.0 . . . . . A . 6 A H1' . . A . 6 A H5' . . . 6 . H1' . . . . . 6 . H5' . . rr_1esh 1
63 1 . . 1 1 6 6 A H1' H . . . 1 1 7 7 U H4' H . . . . . 3.0 3.0 7.0 . . . . . A . 6 A H1' . . A . 7 U H4' . . . 6 . H1' . . . . . 7 . H4' . . rr_1esh 1
64 1 . . 1 1 6 6 A H1' H . . . 1 1 7 7 U H2' H . . . . . 3.0 3.0 7.0 . . . . . A . 6 A H1' . . A . 7 U H2' . . . 6 . H1' . . . . . 7 . H2'' . . rr_1esh 1
65 1 . . 1 1 5 5 C H2' H . . . 1 1 6 6 A H8 H . . . . . 2.5 2.5 5.0 . . . . . A . 6 A H8 . . A . 5 C H2' . . . 6 . H8 . . . . . 5 . H2'' . . rr_1esh 1
66 1 . . 1 1 6 6 A H8 H . . . 1 1 6 6 A H2' H . . . . . 2.5 2.5 5.0 . . . . . A . 6 A H8 . . A . 6 A H2' . . . 6 . H8 . . . . . 6 . H2'' . . rr_1esh 1
67 1 . . 1 1 6 6 A H1' H . . . 1 1 6 6 A H8 H . . . . . 2.5 2.5 5.0 . . . . . A . 6 A H8 . . A . 6 A H1' . . . 6 . H8 . . . . . 6 . H1' . . rr_1esh 1
68 1 . . 1 1 5 5 C H1' H . . . 1 1 6 6 A H8 H . . . . . 2.5 2.5 5.0 . . . . . A . 6 A H8 . . A . 5 C H1' . . . 6 . H8 . . . . . 5 . H1' . . rr_1esh 1
69 1 . . 1 1 6 6 A H8 H . . . 1 1 5 5 C H4' H . . . . . 3.0 3.0 7.0 . . . . . A . 6 A H8 . . A . 5 C H4' . . . 6 . H8 . . . . . 5 . H4' . . rr_1esh 1
70 1 . . 1 1 5 5 C H3' H . . . 1 1 6 6 A H8 H . . . . . 2.0 2.0 4.0 . . . . . A . 6 A H8 . . A . 5 C H3' . . . 6 . H8 . . . . . 5 . H3' . . rr_1esh 1
71 1 . . 1 1 6 6 A H8 H . . . 1 1 6 6 A H3' H . . . . . 2.5 2.5 5.0 . . . . . A . 6 A H8 . . A . 6 A H3' . . . 6 . H8 . . . . . 6 . H3' . . rr_1esh 1
72 1 . . 1 1 6 6 A H8 H . . . 1 1 6 6 A H4' H . . . . . 2.5 2.5 5.0 . . . . . A . 6 A H8 . . A . 6 A H4' . . . 6 . H8 . . . . . 6 . H4' . . rr_1esh 1
73 1 . . 1 1 6 6 A H8 H . . . 1 1 6 6 A H5' H . . . . . 3.0 3.0 7.0 . . . . . A . 6 A H8 . . A . 6 A H5' . . . 6 . H8 . . . . . 6 . H5' . . rr_1esh 1
74 1 . . 1 1 6 6 A H8 H . . . 1 1 5 5 C H5' H . . . . . 3.0 3.0 7.0 . . . . . A . 6 A H8 . . A . 5 C H5' . . . 6 . H8 . . . . . 5 . H5' . . rr_1esh 1
75 1 . . 1 1 6 6 A H1' H . . . 1 1 6 6 A H2 H . . . . . 3.0 3.0 7.0 . . . . . A . 6 A H2 . . A . 6 A H1' . . . 6 . H2 . . . . . 6 . H1' . . rr_1esh 1
76 1 . . 1 1 6 6 A H2' H . . . 1 1 6 6 A H2 H . . . . . 3.0 3.0 7.0 . . . . . A . 6 A H2 . . A . 6 A H2' . . . 6 . H2 . . . . . 6 . H2'' . . rr_1esh 1
77 1 . . 1 1 7 7 U H2' H . . . 1 1 7 7 U H1' H . . . . . 1.8 1.8 3.2 . . . . . A . 7 U H1' . . A . 7 U H2' . . . 7 . H1' . . . . . 7 . H2'' . . rr_1esh 1
78 1 . . 1 1 7 7 U H1' H . . . 1 1 7 7 U H3' H . . . . . 2.5 2.5 5.0 . . . . . A . 7 U H1' . . A . 7 U H3' . . . 7 . H1' . . . . . 7 . H3' . . rr_1esh 1
79 1 . . 1 1 7 7 U H4' H . . . 1 1 7 7 U H1' H . . . . . 2.5 2.5 5.0 . . . . . A . 7 U H1' . . A . 7 U H4' . . . 7 . H1' . . . . . 7 . H4' . . rr_1esh 1
80 1 . . 1 1 7 7 U H6 H . . . 1 1 7 7 U H5 H . . . . . 1.8 1.8 3.2 . . . . . A . 7 U H6 . . A . 7 U H5 . . . 7 . H6 . . . . . 7 . H5 . . rr_1esh 1
81 1 . . 1 1 7 7 U H2' H . . . 1 1 7 7 U H6 H . . . . . 1.8 1.8 3.2 . . . . . A . 7 U H6 . . A . 7 U H2' . . . 7 . H6 . . . . . 7 . H2'' . . rr_1esh 1
82 1 . . 1 1 7 7 U H1' H . . . 1 1 7 7 U H6 H . . . . . 2.5 2.5 5.0 . . . . . A . 7 U H6 . . A . 7 U H1' . . . 7 . H6 . . . . . 7 . H1' . . rr_1esh 1
83 1 . . 1 1 6 6 A H1' H . . . 1 1 7 7 U H6 H . . . . . 2.5 2.5 5.0 . . . . . A . 7 U H6 . . A . 6 A H1' . . . 7 . H6 . . . . . 6 . H1' . . rr_1esh 1
84 1 . . 1 1 6 6 A H1' H . . . 1 1 7 7 U H5 H . . . . . 2.5 2.5 5.0 . . . . . A . 7 U H5 . . A . 6 A H1' . . . 7 . H5 . . . . . 6 . H1' . . rr_1esh 1
85 1 . . 1 1 6 6 A H4' H . . . 1 1 7 7 U H5 H . . . . . 2.5 2.5 5.0 . . . . . A . 7 U H5 . . A . 6 A H4' . . . 7 . H5 . . . . . 6 . H4' . . rr_1esh 1
86 1 . . 1 1 7 7 U H2' H . . . 1 1 7 7 U H5 H . . . . . 2.5 2.5 5.0 . . . . . A . 7 U H5 . . A . 7 U H2' . . . 7 . H5 . . . . . 7 . H2'' . . rr_1esh 1
87 1 . . 1 1 7 7 U H3' H . . . 1 1 7 7 U H6 H . . . . . 2.0 2.0 4.0 . . . . . A . 7 U H6 . . A . 7 U H3' . . . 7 . H6 . . . . . 7 . H3' . . rr_1esh 1
88 1 . . 1 1 6 6 A H2' H . . . 1 1 7 7 U H6 H . . . . . 3.0 3.0 7.0 . . . . . A . 7 U H6 . . A . 6 A H2' . . . 7 . H6 . . . . . 6 . H2'' . . rr_1esh 1
89 1 . . 1 1 6 6 A H3' H . . . 1 1 7 7 U H6 H . . . . . 3.0 3.0 7.0 . . . . . A . 7 U H6 . . A . 6 A H3' . . . 7 . H6 . . . . . 6 . H3' . . rr_1esh 1
90 1 . . 1 1 6 6 A H4' H . . . 1 1 7 7 U H6 H . . . . . 3.0 3.0 7.0 . . . . . A . 7 U H6 . . A . 6 A H4' . . . 7 . H6 . . . . . 6 . H4' . . rr_1esh 1
91 1 . . 1 1 7 7 U H4' H . . . 1 1 7 7 U H6 H . . . . . 2.5 2.5 5.0 . . . . . A . 7 U H6 . . A . 7 U H4' . . . 7 . H6 . . . . . 7 . H4' . . rr_1esh 1
92 1 . . 1 1 7 7 U H6 H . . . 1 1 7 7 U H5' H . . . . . 3.0 3.0 7.0 . . . . . A . 7 U H6 . . A . 7 U H5' . . . 7 . H6 . . . . . 7 . H5' . . rr_1esh 1
93 1 . . 1 1 8 8 A H1' H . . . 1 1 8 8 A H2' H . . . . . 1.8 1.8 3.2 . . . . . A . 8 A H1' . . A . 8 A H2' . . . 8 . H1' . . . . . 8 . H2'' . . rr_1esh 1
94 1 . . 1 1 7 7 U H4' H . . . 1 1 8 8 A H1' H . . . . . 3.0 3.0 7.0 . . . . . A . 8 A H1' . . A . 7 U H4' . . . 8 . H1' . . . . . 7 . H4' . . rr_1esh 1
95 1 . . 1 1 7 7 U H1' H . . . 1 1 8 8 A H8 H . . . . . 3.0 3.0 7.0 . . . . . A . 8 A H8 . . A . 7 U H1' . . . 8 . H8 . . . . . 7 . H1' . . rr_1esh 1
96 1 . . 1 1 7 7 U H2' H . . . 1 1 8 8 A H8 H . . . . . 3.0 3.0 7.0 . . . . . A . 8 A H8 . . A . 7 U H2' . . . 8 . H8 . . . . . 7 . H2'' . . rr_1esh 1
97 1 . . 1 1 8 8 A H1' H . . . 1 1 8 8 A H8 H . . . . . 2.0 2.0 4.0 . . . . . A . 8 A H8 . . A . 8 A H1' . . . 8 . H8 . . . . . 8 . H1' . . rr_1esh 1
98 1 . . 1 1 8 8 A H2' H . . . 1 1 8 8 A H8 H . . . . . 2.0 2.0 4.0 . . . . . A . 8 A H8 . . A . 8 A H2' . . . 8 . H8 . . . . . 8 . H2'' . . rr_1esh 1
99 1 . . 1 1 8 8 A H8 H . . . 1 1 8 8 A H3' H . . . . . 2.5 2.5 5.0 . . . . . A . 8 A H8 . . A . 8 A H3' . . . 8 . H8 . . . . . 8 . H3' . . rr_1esh 1
100 1 . . 1 1 7 7 U H4' H . . . 1 1 8 8 A H8 H . . . . . 2.5 2.5 5.0 . . . . . A . 8 A H8 . . A . 7 U H4' . . . 8 . H8 . . . . . 7 . H4' . . rr_1esh 1
101 1 . . 1 1 8 8 A H8 H . . . 1 1 9 9 G H1' H . . . . . 3.0 3.0 7.0 . . . . . A . 8 A H8 . . A . 9 G H1' . . . 8 . H8 . . . . . 9 . H1' . . rr_1esh 1
102 1 . . 1 1 8 8 A H8 H . . . 1 1 8 8 A H4' H . . . . . 3.0 3.0 7.0 . . . . . A . 8 A H8 . . A . 8 A H4' . . . 8 . H8 . . . . . 8 . H4' . . rr_1esh 1
103 1 . . 1 1 8 8 A H8 H . . . 1 1 8 8 A H5' H . . . . . 3.0 3.0 7.0 . . . . . A . 8 A H8 . . A . 8 A H5' . . . 8 . H8 . . . . . 8 . H5' . . rr_1esh 1
104 1 . . 1 1 6 6 A H1' H . . . 1 1 8 8 A H2 H . . . . . 3.0 3.0 7.0 . . . . . A . 8 A H2 . . A . 6 A H1' . . . 8 . H2 . . . . . 6 . H1' . . rr_1esh 1
105 1 . . 1 1 8 8 A H2 H . . . 1 1 8 8 A H1' H . . . . . 2.5 2.5 5.0 . . . . . A . 8 A H2 . . A . 8 A H1' . . . 8 . H2 . . . . . 8 . H1' . . rr_1esh 1
106 1 . . 1 1 8 8 A H2 H . . . 1 1 8 8 A H3' H . . . . . 3.0 3.0 7.0 . . . . . A . 8 A H2 . . A . 8 A H3' . . . 8 . H2 . . . . . 8 . H3' . . rr_1esh 1
107 1 . . 1 1 8 8 A H2 H . . . 1 1 5 5 C H2' H . . . . . 2.5 2.5 5.0 . . . . . A . 8 A H2 . . A . 5 C H2' . . . 8 . H2 . . . . . 5 . H2'' . . rr_1esh 1
108 1 . . 1 1 8 8 A H2 H . . . 1 1 5 5 C H1' H . . . . . 2.5 2.5 5.0 . . . . . A . 8 A H2 . . A . 5 C H1' . . . 8 . H2 . . . . . 5 . H1' . . rr_1esh 1
109 1 . . 1 1 8 8 A H2 H . . . 1 1 7 7 U H1' H . . . . . 2.5 2.5 5.0 . . . . . A . 8 A H2 . . A . 7 U H1' . . . 8 . H2 . . . . . 7 . H1' . . rr_1esh 1
110 1 . . 1 1 8 8 A H2 H . . . 1 1 7 7 U H4' H . . . . . 2.5 2.5 5.0 . . . . . A . 8 A H2 . . A . 7 U H4' . . . 8 . H2 . . . . . 7 . H4' . . rr_1esh 1
111 1 . . 1 1 8 8 A H2 H . . . 1 1 7 7 U H5' H . . . . . 2.5 2.5 5.0 . . . . . A . 8 A H2 . . A . 7 U H5' . . . 8 . H2 . . . . . 7 . H5' . . rr_1esh 1
112 1 . . 1 1 8 8 A H2 H . . . 1 1 6 6 A H2' H . . . . . 3.0 3.0 7.0 . . . . . A . 8 A H2 . . A . 6 A H2' . . . 8 . H2 . . . . . 6 . H2'' . . rr_1esh 1
113 1 . . 1 1 9 9 G H1' H . . . 1 1 9 9 G H2' H . . . . . 1.8 1.8 3.2 . . . . . A . 9 G H1' . . A . 9 G H2' . . . 9 . H1' . . . . . 9 . H2'' . . rr_1esh 1
114 1 . . 1 1 8 8 A H2' H . . . 1 1 9 9 G H1' H . . . . . 3.0 3.0 7.0 . . . . . A . 9 G H1' . . A . 8 A H2' . . . 9 . H1' . . . . . 8 . H2'' . . rr_1esh 1
115 1 . . 1 1 9 9 G H1' H . . . 1 1 9 9 G H8 H . . . . . 2.5 2.5 5.0 . . . . . A . 9 G H8 . . A . 9 G H1' . . . 9 . H8 . . . . . 9 . H1' . . rr_1esh 1
116 1 . . 1 1 9 9 G H2' H . . . 1 1 9 9 G H8 H . . . . . 1.8 1.8 3.2 . . . . . A . 9 G H8 . . A . 9 G H2' . . . 9 . H8 . . . . . 9 . H2'' . . rr_1esh 1
117 1 . . 1 1 9 9 G H8 H . . . 1 1 9 9 G H3' H . . . . . 2.5 2.5 5.0 . . . . . A . 9 G H8 . . A . 9 G H3' . . . 9 . H8 . . . . . 9 . H3' . . rr_1esh 1
118 1 . . 1 1 9 9 G H8 H . . . 1 1 9 9 G H4' H . . . . . 3.0 3.0 7.0 . . . . . A . 9 G H8 . . A . 9 G H4' . . . 9 . H8 . . . . . 9 . H4' . . rr_1esh 1
119 1 . . 1 1 9 9 G H8 H . . . 1 1 10 10 C H5 H . . . . . 3.0 3.0 7.0 . . . . . A . 9 G H8 . . A . 10 C H5 . . . 9 . H8 . . . . . 10 . H5 . . rr_1esh 1
120 1 . . 1 1 9 9 G H8 H . . . 1 1 10 10 C H6 H . . . . . 3.0 3.0 7.0 . . . . . A . 9 G H8 . . A . 10 C H6 . . . 9 . H8 . . . . . 10 . H6 . . rr_1esh 1
121 1 . . 1 1 8 8 A H5' H . . . 1 1 9 9 G H8 H . . . . . 3.0 3.0 7.0 . . . . . A . 9 G H8 . . A . 8 A H5' . . . 9 . H8 . . . . . 8 . H5' . . rr_1esh 1
122 1 . . 1 1 9 9 G H8 H . . . 1 1 8 8 A H5'' H . . . . . 3.0 3.0 7.0 . . . . . A . 9 G H8 . . A . 8 A H5'' . . . 9 . H8 . . . . . 8 . H5'' . . rr_1esh 1
123 1 . . 1 1 9 9 G H8 H . . . 1 1 9 9 G H5' H . . . . . 3.0 3.0 7.0 . . . . . A . 9 G H8 . . A . 9 G H5' . . . 9 . H8 . . . . . 9 . H5' . . rr_1esh 1
124 1 . . 1 1 10 10 C H1' H . . . 1 1 10 10 C H2' H . . . . . 1.8 1.8 3.2 . . . . . A . 10 C H1' . . A . 10 C H2' . . . 10 . H1' . . . . . 10 . H2'' . . rr_1esh 1
125 1 . . 1 1 10 10 C H5 H . . . 1 1 10 10 C H1' H . . . . . 3.0 3.0 7.0 . . . . . A . 10 C H1' . . A . 10 C H5 . . . 10 . H1' . . . . . 10 . H5 . . rr_1esh 1
126 1 . . 1 1 9 9 G H2' H . . . 1 1 10 10 C H5 H . . . . . 3.0 3.0 7.0 . . . . . A . 10 C H5 . . A . 9 G H2' . . . 10 . H5 . . . . . 9 . H2'' . . rr_1esh 1
127 1 . . 1 1 10 10 C H5 H . . . 1 1 11 11 A H2' H . . . . . 3.0 3.0 7.0 . . . . . A . 10 C H5 . . A . 11 A H2' . . . 10 . H5 . . . . . 11 . H2'' . . rr_1esh 1
128 1 . . 1 1 10 10 C H5 H . . . 1 1 10 10 C H6 H . . . . . 1.8 1.8 3.2 . . . . . A . 10 C H6 . . A . 10 C H5 . . . 10 . H6 . . . . . 10 . H5 . . rr_1esh 1
129 1 . . 1 1 9 9 G H1' H . . . 1 1 10 10 C H6 H . . . . . 1.8 1.8 3.2 . . . . . A . 10 C H6 . . A . 9 G H1' . . . 10 . H6 . . . . . 9 . H1' . . rr_1esh 1
130 1 . . 1 1 9 9 G H2' H . . . 1 1 10 10 C H6 H . . . . . 3.0 3.0 7.0 . . . . . A . 10 C H6 . . A . 9 G H2' . . . 10 . H6 . . . . . 9 . H2'' . . rr_1esh 1
131 1 . . 1 1 9 9 G H4' H . . . 1 1 10 10 C H6 H . . . . . 3.0 3.0 7.0 . . . . . A . 10 C H6 . . A . 9 G H4' . . . 10 . H6 . . . . . 9 . H4' . . rr_1esh 1
132 1 . . 1 1 10 10 C H6 H . . . 1 1 10 10 C H1' H . . . . . 2.5 2.5 5.0 . . . . . A . 10 C H6 . . A . 10 C H1' . . . 10 . H6 . . . . . 10 . H1' . . rr_1esh 1
133 1 . . 1 1 10 10 C H6 H . . . 1 1 10 10 C H2' H . . . . . 2.5 2.5 5.0 . . . . . A . 10 C H6 . . A . 10 C H2' . . . 10 . H6 . . . . . 10 . H2'' . . rr_1esh 1
134 1 . . 1 1 11 11 A H2' H . . . 1 1 11 11 A H1' H . . . . . 1.8 1.8 3.2 . . . . . A . 11 A H1' . . A . 11 A H2' . . . 11 . H1' . . . . . 11 . H2'' . . rr_1esh 1
135 1 . . 1 1 11 11 A H1' H . . . 1 1 12 12 C H5 H . . . . . 3.0 3.0 7.0 . . . . . A . 11 A H1' . . A . 12 C H5 . . . 11 . H1' . . . . . 12 . H5 . . rr_1esh 1
136 1 . . 1 1 11 11 A H1' H . . . 1 1 11 11 A H8 H . . . . . 2.5 2.5 5.0 . . . . . A . 11 A H8 . . A . 11 A H1' . . . 11 . H8 . . . . . 11 . H1' . . rr_1esh 1
137 1 . . 1 1 11 11 A H2' H . . . 1 1 11 11 A H8 H . . . . . 2.5 2.5 5.0 . . . . . A . 11 A H8 . . A . 11 A H2' . . . 11 . H8 . . . . . 11 . H2'' . . rr_1esh 1
138 1 . . 1 1 11 11 A H8 H . . . 1 1 11 11 A H3' H . . . . . 2.5 2.5 5.0 . . . . . A . 11 A H8 . . A . 11 A H3' . . . 11 . H8 . . . . . 11 . H3' . . rr_1esh 1
139 1 . . 1 1 11 11 A H8 H . . . 1 1 11 11 A H4' H . . . . . 3.0 3.0 7.0 . . . . . A . 11 A H8 . . A . 11 A H4' . . . 11 . H8 . . . . . 11 . H4' . . rr_1esh 1
140 1 . . 1 1 10 10 C H1' H . . . 1 1 11 11 A H8 H . . . . . 2.5 2.5 5.0 . . . . . A . 11 A H8 . . A . 10 C H1' . . . 11 . H8 . . . . . 10 . H1' . . rr_1esh 1
141 1 . . 1 1 10 10 C H2' H . . . 1 1 11 11 A H8 H . . . . . 1.8 1.8 3.2 . . . . . A . 11 A H8 . . A . 10 C H2' . . . 11 . H8 . . . . . 10 . H2'' . . rr_1esh 1
142 1 . . 1 1 10 10 C H6 H . . . 1 1 11 11 A H8 H . . . . . 3.0 3.0 7.0 . . . . . A . 11 A H8 . . A . 10 C H6 . . . 11 . H8 . . . . . 10 . H6 . . rr_1esh 1
143 1 . . 1 1 11 11 A H2 H . . . 1 1 4 4 G H1' H . . . . . 2.5 2.5 5.0 . . . . . A . 11 A H2 . . A . 4 G H1' . . . 11 . H2 . . . . . 4 . H1' . . rr_1esh 1
144 1 . . 1 1 11 11 A H2 H . . . 1 1 12 12 C H1' H . . . . . 2.5 2.5 5.0 . . . . . A . 11 A H2 . . A . 12 C H1' . . . 11 . H2 . . . . . 12 . H1' . . rr_1esh 1
145 1 . . 1 1 11 11 A H2 H . . . 1 1 11 11 A H1' H . . . . . 3.0 3.0 7.0 . . . . . A . 11 A H2 . . A . 11 A H1' . . . 11 . H2 . . . . . 11 . H1' . . rr_1esh 1
146 1 . . 1 1 12 12 C H1' H . . . 1 1 12 12 C H2' H . . . . . 1.8 1.8 3.2 . . . . . A . 12 C H1' . . A . 12 C H2' . . . 12 . H1' . . . . . 12 . H2'' . . rr_1esh 1
147 1 . . 1 1 12 12 C H5 H . . . 1 1 12 12 C H6 H . . . . . 1.8 1.8 3.2 . . . . . A . 12 C H6 . . A . 12 C H5 . . . 12 . H6 . . . . . 12 . H5 . . rr_1esh 1
148 1 . . 1 1 11 11 A H8 H . . . 1 1 12 12 C H6 H . . . . . 3.0 3.0 7.0 . . . . . A . 12 C H6 . . A . 11 A H8 . . . 12 . H6 . . . . . 11 . H8 . . rr_1esh 1
149 1 . . 1 1 11 11 A H1' H . . . 1 1 12 12 C H6 H . . . . . 2.5 2.5 5.0 . . . . . A . 12 C H6 . . A . 11 A H1' . . . 12 . H6 . . . . . 11 . H1' . . rr_1esh 1
150 1 . . 1 1 11 11 A H2' H . . . 1 1 12 12 C H6 H . . . . . 1.8 1.8 3.2 . . . . . A . 12 C H6 . . A . 11 A H2' . . . 12 . H6 . . . . . 11 . H2'' . . rr_1esh 1
151 1 . . 1 1 12 12 C H1' H . . . 1 1 12 12 C H6 H . . . . . 2.5 2.5 5.0 . . . . . A . 12 C H6 . . A . 12 C H1' . . . 12 . H6 . . . . . 12 . H1' . . rr_1esh 1
152 1 . . 1 1 12 12 C H6 H . . . 1 1 12 12 C H2' H . . . . . 2.5 2.5 5.0 . . . . . A . 12 C H6 . . A . 12 C H2' . . . 12 . H6 . . . . . 12 . H2' . . rr_1esh 1
153 1 . . 1 1 12 12 C H6 H . . . 1 1 12 12 C H3' H . . . . . 2.0 2.0 4.0 . . . . . A . 12 C H6 . . A . 12 C H3' . . . 12 . H6 . . . . . 12 . H3' . . rr_1esh 1
154 1 . . 1 1 12 12 C H6 H . . . 1 1 12 12 C H4' H . . . . . 3.0 3.0 7.0 . . . . . A . 12 C H6 . . A . 12 C H4' . . . 12 . H6 . . . . . 12 . H4' . . rr_1esh 1
155 1 . . 1 1 13 13 C H6 H . . . 1 1 13 13 C H5 H . . . . . 1.8 1.8 3.2 . . . . . A . 13 C H6 . . A . 13 C H5 . . . 13 . H6 . . . . . 13 . H5 . . rr_1esh 1
156 1 . . 1 1 12 12 C H6 H . . . 1 1 13 13 C H6 H . . . . . 3.0 3.0 7.0 . . . . . A . 13 C H6 . . A . 12 C H6 . . . 13 . H6 . . . . . 12 . H6 . . rr_1esh 1
157 1 . . 1 1 13 13 C H1' H . . . 1 1 13 13 C H2' H . . . . . 1.8 1.8 3.2 . . . . . A . 13 C H1' . . A . 13 C H2' . . . 13 . H1' . . . . . 13 . H2'' . . rr_1esh 1
158 1 . . 1 1 12 12 C H2' H . . . 1 1 13 13 C H6 H . . . . . 1.8 1.8 3.2 . . . . . A . 13 C H6 . . A . 12 C H2' . . . 13 . H6 . . . . . 12 . H2'' . . rr_1esh 1
159 1 . . 1 1 12 12 C H1' H . . . 1 1 13 13 C H6 H . . . . . 2.5 2.5 5.0 . . . . . A . 13 C H6 . . A . 12 C H1' . . . 13 . H6 . . . . . 12 . H1' . . rr_1esh 1
160 1 . . 1 1 13 13 C H6 H . . . 1 1 13 13 C H1' H . . . . . 2.5 2.5 5.0 . . . . . A . 13 C H6 . . A . 13 C H1' . . . 13 . H6 . . . . . 13 . H1' . . rr_1esh 1
161 1 . . 1 1 13 13 C H6 H . . . 1 1 13 13 C H2' H . . . . . 2.0 2.0 4.0 . . . . . A . 13 C H6 . . A . 13 C H2' . . . 13 . H6 . . . . . 13 . H2'' . . rr_1esh 1
162 1 . . 1 1 13 13 C H6 H . . . 1 1 13 13 C H3' H . . . . . 2.0 2.0 4.0 . . . . . A . 13 C H6 . . A . 13 C H3' . . . 13 . H6 . . . . . 13 . H3' . . rr_1esh 1
163 1 . . 1 1 12 12 C H3' H . . . 1 1 13 13 C H6 H . . . . . 2.5 2.5 5.0 . . . . . A . 13 C H6 . . A . 12 C H3' . . . 13 . H6 . . . . . 12 . H3' . . rr_1esh 1
164 1 . . 1 1 13 13 C H6 H . . . 1 1 13 13 C H4' H . . . . . 3.0 3.0 7.0 . . . . . A . 13 C H6 . . A . 13 C H4' . . . 13 . H6 . . . . . 13 . H4' . . rr_1esh 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 RESTRICTIONS FOR EXCHANGEABLE PROTONS FROM THE H2O NOESY" 1 1 1 1 rr_1esh 1
2 "from 200ms H2O NOESY at 20c and 300ms H2O NOESY at 10c" 3 1 3 1 rr_1esh 1
3 "imino proton to imino proton" 5 1 5 1 rr_1esh 1
4 "imino proton to amino proton A h2 proton aromatic proton, or" 11 3 11 3 rr_1esh 1
5 "Distance restriction for nonexchangeable protons from D2O NOESY" 23 1 23 1 rr_1esh 1
6 G1 25 1 25 1 rr_1esh 1
7 G2 33 1 33 1 rr_1esh 1
8 U3 46 1 46 1 rr_1esh 1
9 G4 60 1 60 1 rr_1esh 1
10 C5 71 1 71 1 rr_1esh 1
11 A6 89 1 89 1 rr_1esh 1
12 U7 109 1 109 1 rr_1esh 1
13 A8 129 1 129 1 rr_1esh 1
14 G9 154 1 154 1 rr_1esh 1
15 C10 169 1 169 1 rr_1esh 1
16 A11 182 1 182 1 rr_1esh 1
17 C12 197 1 197 1 rr_1esh 1
18 C13 209 1 209 1 rr_1esh 1
stop_
save_
save_CNS/XPLOR_distance_constraints_2
_Gen_dist_constraint_list.Sf_category general_distance_constraints
_Gen_dist_constraint_list.Sf_framecode CNS/XPLOR_distance_constraints_2
_Gen_dist_constraint_list.Entry_ID rr_1esh
_Gen_dist_constraint_list.ID 1
_Gen_dist_constraint_list.Constraint_type "hydrogen bond"
_Gen_dist_constraint_list.Details "Generated by Wattos"
_Gen_dist_constraint_list.Constraint_file_ID 1
_Gen_dist_constraint_list.Block_ID 2
loop_
_Gen_dist_constraint_software.Software_ID
_Gen_dist_constraint_software.Software_label
_Gen_dist_constraint_software.Method_ID
_Gen_dist_constraint_software.Method_label
_Gen_dist_constraint_software.Entry_ID
_Gen_dist_constraint_software.Gen_dist_constraint_list_ID
. . . . rr_1esh 2
stop_
loop_
_Gen_dist_constraint.ID
_Gen_dist_constraint.Member_ID
_Gen_dist_constraint.Member_logic_code
_Gen_dist_constraint.Assembly_atom_ID_1
_Gen_dist_constraint.Entity_assembly_ID_1
_Gen_dist_constraint.Entity_ID_1
_Gen_dist_constraint.Comp_index_ID_1
_Gen_dist_constraint.Seq_ID_1
_Gen_dist_constraint.Comp_ID_1
_Gen_dist_constraint.Atom_ID_1
_Gen_dist_constraint.Atom_type_1
_Gen_dist_constraint.Atom_isotope_number_1
_Gen_dist_constraint.Resonance_ID_1
_Gen_dist_constraint.Assembly_atom_ID_2
_Gen_dist_constraint.Entity_assembly_ID_2
_Gen_dist_constraint.Entity_ID_2
_Gen_dist_constraint.Comp_index_ID_2
_Gen_dist_constraint.Seq_ID_2
_Gen_dist_constraint.Comp_ID_2
_Gen_dist_constraint.Atom_ID_2
_Gen_dist_constraint.Atom_type_2
_Gen_dist_constraint.Atom_isotope_number_2
_Gen_dist_constraint.Resonance_ID_2
_Gen_dist_constraint.Intensity_val
_Gen_dist_constraint.Intensity_lower_val_err
_Gen_dist_constraint.Intensity_upper_val_err
_Gen_dist_constraint.Distance_val
_Gen_dist_constraint.Distance_lower_bound_val
_Gen_dist_constraint.Distance_upper_bound_val
_Gen_dist_constraint.Contribution_fractional_val
_Gen_dist_constraint.Spectral_peak_ID
_Gen_dist_constraint.Spectral_peak_list_ID
_Gen_dist_constraint.PDB_record_ID_1
_Gen_dist_constraint.PDB_model_num_1
_Gen_dist_constraint.PDB_strand_ID_1
_Gen_dist_constraint.PDB_ins_code_1
_Gen_dist_constraint.PDB_residue_no_1
_Gen_dist_constraint.PDB_residue_name_1
_Gen_dist_constraint.PDB_atom_name_1
_Gen_dist_constraint.PDB_record_ID_2
_Gen_dist_constraint.PDB_model_num_2
_Gen_dist_constraint.PDB_strand_ID_2
_Gen_dist_constraint.PDB_ins_code_2
_Gen_dist_constraint.PDB_residue_no_2
_Gen_dist_constraint.PDB_residue_name_2
_Gen_dist_constraint.PDB_atom_name_2
_Gen_dist_constraint.Auth_entity_assembly_ID_1
_Gen_dist_constraint.Auth_asym_ID_1
_Gen_dist_constraint.Auth_chain_ID_1
_Gen_dist_constraint.Auth_seq_ID_1
_Gen_dist_constraint.Auth_comp_ID_1
_Gen_dist_constraint.Auth_atom_ID_1
_Gen_dist_constraint.Auth_alt_ID_1
_Gen_dist_constraint.Auth_atom_name_1
_Gen_dist_constraint.Auth_entity_assembly_ID_2
_Gen_dist_constraint.Auth_asym_ID_2
_Gen_dist_constraint.Auth_chain_ID_2
_Gen_dist_constraint.Auth_seq_ID_2
_Gen_dist_constraint.Auth_comp_ID_2
_Gen_dist_constraint.Auth_atom_ID_2
_Gen_dist_constraint.Auth_alt_ID_2
_Gen_dist_constraint.Auth_atom_name_2
_Gen_dist_constraint.Entry_ID
_Gen_dist_constraint.Gen_dist_constraint_list_ID
1 1 . . 1 1 13 13 C H41 H . . . 1 1 1 1 G O6 O . . . . . 1.7 1.6 1.8 . . . . . A . 13 C H41 . . A . 1 G O6 . . . 13 . H41 . . . . . 1 . O6 . . rr_1esh 2
2 1 . . 1 1 13 13 C N3 N . . . 1 1 1 1 G H21 H . . . . . 3.0 2.9 3.1 . . . . . A . 13 C N3 . . A . 1 G H21 . . . 13 . N3 . . . . . 1 . H21 . . rr_1esh 2
3 1 . . 1 1 1 1 G H21 H . . . 1 1 13 13 C O2 O . . . . . 2.0 1.9 2.1 . . . . . A . 13 C O2 . . A . 1 G H21 . . . 13 . O2 . . . . . 1 . H21 . . rr_1esh 2
4 1 . . 1 1 13 13 C N3 N . . . 1 1 1 1 G H1 H . . . . . 1.9 1.8 2.0 . . . . . A . 13 C N3 . . A . 1 G H1 . . . 13 . N3 . . . . . 1 . H1 . . rr_1esh 2
5 1 . . 1 1 12 12 C H41 H . . . 1 1 2 2 G O6 O . . . . . 1.7 1.6 1.8 . . . . . A . 12 C H41 . . A . 2 G O6 . . . 12 . H41 . . . . . 2 . O6 . . rr_1esh 2
6 1 . . 1 1 12 12 C N3 N . . . 1 1 2 2 G H21 H . . . . . 3.0 2.9 3.1 . . . . . A . 12 C N3 . . A . 2 G H21 . . . 12 . N3 . . . . . 2 . H21 . . rr_1esh 2
7 1 . . 1 1 2 2 G H21 H . . . 1 1 12 12 C O2 O . . . . . 2.0 1.9 2.1 . . . . . A . 12 C O2 . . A . 2 G H21 . . . 12 . O2 . . . . . 2 . H21 . . rr_1esh 2
8 1 . . 1 1 2 2 G H1 H . . . 1 1 12 12 C N3 N . . . . . 1.9 1.8 2.0 . . . . . A . 12 C N3 . . A . 2 G H1 . . . 12 . N3 . . . . . 2 . H1 . . rr_1esh 2
9 1 . . 1 1 11 11 A H2 H . . . 1 1 3 3 U O2 O . . . . . 3.2 3.1 3.3 . . . . . A . 11 A H2 . . A . 3 U O2 . . . 11 . H2 . . . . . 3 . O2 . . rr_1esh 2
10 1 . . 1 1 3 3 U H3 H . . . 1 1 11 11 A N1 N . . . . . 1.9 1.8 2.0 . . . . . A . 11 A N1 . . A . 3 U H3 . . . 11 . N1 . . . . . 3 . H3 . . rr_1esh 2
11 1 . . 1 1 11 11 A H61 H . . . 1 1 3 3 U O4 O . . . . . 1.8 1.7 1.9 . . . . . A . 11 A H61 . . A . 3 U O4 . . . 11 . H61 . . . . . 3 . O4 . . rr_1esh 2
12 1 . . 1 1 3 3 U H3 H . . . 1 1 11 11 A H2 H . . . . . 2.9 2.8 3.0 . . . . . A . 11 A H2 . . A . 3 U H3 . . . 11 . H2 . . . . . 3 . H3 . . rr_1esh 2
13 1 . . 1 1 10 10 C H41 H . . . 1 1 4 4 G O6 O . . . . . 1.7 1.6 1.8 . . . . . A . 10 C H41 . . A . 4 G O6 . . . 10 . H41 . . . . . 4 . O6 . . rr_1esh 2
14 1 . . 1 1 10 10 C N3 N . . . 1 1 4 4 G H21 H . . . . . 3.0 2.9 3.1 . . . . . A . 10 C N3 . . A . 4 G H21 . . . 10 . N3 . . . . . 4 . H21 . . rr_1esh 2
15 1 . . 1 1 4 4 G H21 H . . . 1 1 10 10 C O2 O . . . . . 2.0 1.9 2.1 . . . . . A . 10 C O2 . . A . 4 G H21 . . . 10 . O2 . . . . . 4 . H21 . . rr_1esh 2
16 1 . . 1 1 4 4 G H1 H . . . 1 1 10 10 C N3 N . . . . . 1.9 1.8 2.0 . . . . . A . 10 C N3 . . A . 4 G H1 . . . 10 . N3 . . . . . 4 . H1 . . rr_1esh 2
17 1 . . 1 1 5 5 C H41 H . . . 1 1 9 9 G O6 O . . . . . 1.7 1.6 1.8 . . . . . A . 5 C H41 . . A . 9 G O6 . . . 5 . H41 . . . . . 9 . O6 . . rr_1esh 2
18 1 . . 1 1 5 5 C N3 N . . . 1 1 9 9 G H21 H . . . . . 3.0 2.9 3.1 . . . . . A . 5 C N3 . . A . 9 G H21 . . . 5 . N3 . . . . . 9 . H21 . . rr_1esh 2
19 1 . . 1 1 9 9 G H21 H . . . 1 1 5 5 C O2 O . . . . . 2.0 1.9 2.1 . . . . . A . 5 C O2 . . A . 9 G H21 . . . 5 . O2 . . . . . 9 . H21 . . rr_1esh 2
20 1 . . 1 1 9 9 G H1 H . . . 1 1 5 5 C N3 N . . . . . 1.9 1.8 2.0 . . . . . A . 5 C N3 . . A . 9 G H1 . . . 5 . N3 . . . . . 9 . H1 . . rr_1esh 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 "BASE PAIRING - based on standard H-bond distances" 1 1 1 1 rr_1esh 2
2 "base pair G1-C13" 3 2 3 2 rr_1esh 2
3 "base pair G2-C12" 9 2 9 2 rr_1esh 2
4 "base pairing U3-A11" 15 7 15 7 rr_1esh 2
5 "base pair G4-C10" 21 9 21 9 rr_1esh 2
6 "base pair C5-G9" 27 3 27 3 rr_1esh 2
stop_
save_
save_CNS/XPLOR_distance_constraints_3_1
_Distance_constraint_list.Sf_category distance_constraints
_Distance_constraint_list.Sf_framecode CNS/XPLOR_distance_constraints_3_1
_Distance_constraint_list.Entry_ID rr_1esh
_Distance_constraint_list.ID 2
_Distance_constraint_list.Constraint_type NOE
_Distance_constraint_list.Details "Generated by Wattos"
_Distance_constraint_list.Constraint_file_ID 1
_Distance_constraint_list.Block_ID 3
loop_
_Distance_constraint_software.Software_ID
_Distance_constraint_software.Software_label
_Distance_constraint_software.Method_ID
_Distance_constraint_software.Method_label
_Distance_constraint_software.Entry_ID
_Distance_constraint_software.Distance_constraint_list_ID
. . . . rr_1esh 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_1esh 1
2 1 . . . rr_1esh 1
3 1 . . . rr_1esh 1
4 1 . . . rr_1esh 1
5 1 . . . rr_1esh 1
6 1 . . . rr_1esh 1
7 1 . . . rr_1esh 1
8 1 . . . rr_1esh 1
9 1 . . . rr_1esh 1
10 1 . . . rr_1esh 1
11 1 . . . rr_1esh 1
12 1 . . . rr_1esh 1
13 1 . . . rr_1esh 1
14 1 . . . rr_1esh 1
15 1 . . . rr_1esh 1
16 1 . . . rr_1esh 1
17 1 . . . rr_1esh 1
18 1 . . . rr_1esh 1
19 1 . . . rr_1esh 1
20 1 . . . rr_1esh 1
21 1 . . . rr_1esh 1
22 1 . . . rr_1esh 1
23 1 . . . rr_1esh 1
24 1 . . . rr_1esh 1
25 1 . . . rr_1esh 1
26 1 . . . rr_1esh 1
27 1 . . . rr_1esh 1
28 1 . . . rr_1esh 1
29 1 . . . rr_1esh 1
30 1 . . . rr_1esh 1
31 1 . . . rr_1esh 1
32 1 . . . rr_1esh 1
33 1 . . . rr_1esh 1
34 1 . . . rr_1esh 1
35 1 . . . rr_1esh 1
36 1 . . . rr_1esh 1
37 1 . . . rr_1esh 1
38 1 . . . rr_1esh 1
39 1 . . . rr_1esh 1
40 1 . . . rr_1esh 1
41 1 . . . rr_1esh 1
42 1 . . . rr_1esh 1
43 1 . . . rr_1esh 1
44 1 . . . rr_1esh 1
45 1 . . . rr_1esh 1
46 1 . . . rr_1esh 1
47 1 . . . rr_1esh 1
48 1 . . . rr_1esh 1
49 1 . . . rr_1esh 1
50 1 . . . rr_1esh 1
51 1 . . . rr_1esh 1
52 1 . . . rr_1esh 1
53 1 . . . rr_1esh 1
54 1 . . . rr_1esh 1
55 1 . . . rr_1esh 1
56 1 . . . rr_1esh 1
57 1 . . . rr_1esh 1
58 1 . . . rr_1esh 1
59 1 . . . rr_1esh 1
60 1 . . . rr_1esh 1
61 1 . . . rr_1esh 1
62 1 . . . rr_1esh 1
63 1 . . . rr_1esh 1
64 1 . . . rr_1esh 1
65 1 . . . rr_1esh 1
66 1 . . . rr_1esh 1
67 1 . . . rr_1esh 1
68 1 . . . rr_1esh 1
69 1 . . . rr_1esh 1
70 1 . . . rr_1esh 1
71 1 . . . rr_1esh 1
72 1 . . . rr_1esh 1
73 1 . . . rr_1esh 1
74 1 . . . rr_1esh 1
75 1 . . . rr_1esh 1
76 1 . . . rr_1esh 1
77 1 . . . rr_1esh 1
78 1 . . . rr_1esh 1
79 1 . . . rr_1esh 1
80 1 . . . rr_1esh 1
81 1 . . . rr_1esh 1
82 1 . . . rr_1esh 1
83 1 . . . rr_1esh 1
84 1 . . . rr_1esh 1
85 1 . . . rr_1esh 1
86 1 . . . rr_1esh 1
87 1 . . . rr_1esh 1
88 1 . . . rr_1esh 1
89 1 . . . rr_1esh 1
90 1 . . . rr_1esh 1
91 1 . . . rr_1esh 1
92 1 . . . rr_1esh 1
93 1 . . . rr_1esh 1
94 1 . . . rr_1esh 1
95 1 . . . rr_1esh 1
96 1 . . . rr_1esh 1
97 1 . . . rr_1esh 1
98 1 . . . rr_1esh 1
99 1 . . . rr_1esh 1
100 1 . . . rr_1esh 1
101 1 . . . rr_1esh 1
102 1 . . . rr_1esh 1
103 1 . . . rr_1esh 1
104 1 . . . rr_1esh 1
105 1 . . . rr_1esh 1
106 1 . . . rr_1esh 1
107 1 . . . rr_1esh 1
108 1 . . . rr_1esh 1
109 1 . . . rr_1esh 1
110 1 . . . rr_1esh 1
111 1 . . . rr_1esh 1
112 1 . . . rr_1esh 1
113 1 . . . rr_1esh 1
114 1 . . . rr_1esh 1
115 1 . . . rr_1esh 1
116 1 . . . rr_1esh 1
117 1 . . . rr_1esh 1
118 1 . . . rr_1esh 1
119 1 . . . rr_1esh 1
120 1 . . . rr_1esh 1
121 1 . . . rr_1esh 1
122 1 . . . rr_1esh 1
123 1 . . . rr_1esh 1
124 1 . . . rr_1esh 1
125 1 . . . rr_1esh 1
126 1 . . . rr_1esh 1
127 1 . . . rr_1esh 1
128 1 . . . rr_1esh 1
129 1 . . . rr_1esh 1
130 1 . . . rr_1esh 1
131 1 . . . rr_1esh 1
132 1 . . . rr_1esh 1
133 1 . . . rr_1esh 1
134 1 . . . rr_1esh 1
135 1 . . . rr_1esh 1
136 1 . . . rr_1esh 1
137 1 . . . rr_1esh 1
138 1 . . . rr_1esh 1
139 1 . . . rr_1esh 1
140 1 . . . rr_1esh 1
141 1 . . . rr_1esh 1
142 1 . . . rr_1esh 1
143 1 . . . rr_1esh 1
144 1 . . . rr_1esh 1
145 1 . . . rr_1esh 1
146 1 . . . rr_1esh 1
147 1 . . . rr_1esh 1
148 1 . . . rr_1esh 1
149 1 . . . rr_1esh 1
150 1 . . . rr_1esh 1
151 1 . . . rr_1esh 1
152 1 . . . rr_1esh 1
153 1 . . . rr_1esh 1
154 1 . . . rr_1esh 1
155 1 . . . rr_1esh 1
156 1 . . . rr_1esh 1
157 1 . . . rr_1esh 1
158 1 . . . rr_1esh 1
159 1 . . . rr_1esh 1
160 1 . . . rr_1esh 1
161 1 . . . rr_1esh 1
162 1 . . . rr_1esh 1
163 1 . . . rr_1esh 1
164 1 . . . rr_1esh 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 2 2 G H1 H . . . . 2 . H1 rr_1esh 1
1 1 . 2 . 1 1 3 3 U H3 H . . . . 3 . H3 rr_1esh 1
2 1 . 1 . 1 1 3 3 U H3 H . . . . 3 . H3 rr_1esh 1
2 1 . 2 . 1 1 4 4 G H1 H . . . . 4 . H1 rr_1esh 1
3 1 . 1 . 1 1 4 4 G H1 H . . . . 4 . H1 rr_1esh 1
3 1 . 2 . 1 1 9 9 G H1 H . . . . 9 . H1 rr_1esh 1
4 1 . 1 . 1 1 2 2 G H1 H . . . . 2 . H1 rr_1esh 1
4 1 . 2 . 1 1 12 12 C H41 H . . . . 12 . H41 rr_1esh 1
5 1 . 1 . 1 1 2 2 G H1 H . . . . 2 . H1 rr_1esh 1
5 1 . 2 . 1 1 12 12 C H42 H . . . . 12 . H42 rr_1esh 1
6 1 . 1 . 1 1 3 3 U H3 H . . . . 3 . H3 rr_1esh 1
6 1 . 2 . 1 1 11 11 A H2 H . . . . 11 . H2 rr_1esh 1
7 1 . 1 . 1 1 4 4 G H1 H . . . . 4 . H1 rr_1esh 1
7 1 . 2 . 1 1 10 10 C H41 H . . . . 10 . H41 rr_1esh 1
8 1 . 1 . 1 1 4 4 G H1 H . . . . 4 . H1 rr_1esh 1
8 1 . 2 . 1 1 10 10 C H42 H . . . . 10 . H42 rr_1esh 1
9 1 . 1 . 1 1 9 9 G H1 H . . . . 9 . H1 rr_1esh 1
9 1 . 2 . 1 1 5 5 C H41 H . . . . 5 . H41 rr_1esh 1
10 1 . 1 . 1 1 9 9 G H1 H . . . . 9 . H1 rr_1esh 1
10 1 . 2 . 1 1 5 5 C H42 H . . . . 5 . H42 rr_1esh 1
11 1 . 1 . 1 1 9 9 G H1 H . . . . 9 . H1 rr_1esh 1
11 1 . 2 . 1 1 6 6 A H1' H . . . . 6 . H1' rr_1esh 1
12 1 . 1 . 1 1 9 9 G H1 H . . . . 9 . H1 rr_1esh 1
12 1 . 2 . 1 1 8 8 A H2 H . . . . 8 . H2 rr_1esh 1
13 1 . 1 . 1 1 1 1 G H1' H . . . . 1 . H1' rr_1esh 1
13 1 . 2 . 1 1 1 1 G H2' H . . . . 1 . H2'' rr_1esh 1
14 1 . 1 . 1 1 1 1 G H8 H . . . . 1 . H8 rr_1esh 1
14 1 . 2 . 1 1 1 1 G H1' H . . . . 1 . H1' rr_1esh 1
15 1 . 1 . 1 1 1 1 G H8 H . . . . 1 . H8 rr_1esh 1
15 1 . 2 . 1 1 1 1 G H2' H . . . . 1 . H2'' rr_1esh 1
16 1 . 1 . 1 1 1 1 G H8 H . . . . 1 . H8 rr_1esh 1
16 1 . 2 . 1 1 1 1 G H3' H . . . . 1 . H3' rr_1esh 1
17 1 . 1 . 1 1 1 1 G H8 H . . . . 1 . H8 rr_1esh 1
17 1 . 2 . 1 1 2 2 G H8 H . . . . 2 . H8 rr_1esh 1
18 1 . 1 . 1 1 1 1 G H8 H . . . . 1 . H8 rr_1esh 1
18 1 . 2 . 1 1 1 1 G H4' H . . . . 1 . H4' rr_1esh 1
19 1 . 1 . 1 1 2 2 G H1' H . . . . 2 . H1' rr_1esh 1
19 1 . 2 . 1 1 2 2 G H2' H . . . . 2 . H2'' rr_1esh 1
20 1 . 1 . 1 1 2 2 G H1' H . . . . 2 . H1' rr_1esh 1
20 1 . 2 . 1 1 3 3 U H5 H . . . . 3 . H5 rr_1esh 1
21 1 . 1 . 1 1 2 2 G H8 H . . . . 2 . H8 rr_1esh 1
21 1 . 2 . 1 1 1 1 G H1' H . . . . 1 . H1' rr_1esh 1
22 1 . 1 . 1 1 2 2 G H8 H . . . . 2 . H8 rr_1esh 1
22 1 . 2 . 1 1 2 2 G H1' H . . . . 2 . H1' rr_1esh 1
23 1 . 1 . 1 1 2 2 G H8 H . . . . 2 . H8 rr_1esh 1
23 1 . 2 . 1 1 1 1 G H2' H . . . . 1 . H2'' rr_1esh 1
24 1 . 1 . 1 1 2 2 G H8 H . . . . 2 . H8 rr_1esh 1
24 1 . 2 . 1 1 1 1 G H3' H . . . . 1 . H3' rr_1esh 1
25 1 . 1 . 1 1 2 2 G H8 H . . . . 2 . H8 rr_1esh 1
25 1 . 2 . 1 1 2 2 G H3' H . . . . 2 . H3' rr_1esh 1
26 1 . 1 . 1 1 2 2 G H8 H . . . . 2 . H8 rr_1esh 1
26 1 . 2 . 1 1 3 3 U H6 H . . . . 3 . H6 rr_1esh 1
27 1 . 1 . 1 1 2 2 G H8 H . . . . 2 . H8 rr_1esh 1
27 1 . 2 . 1 1 3 3 U H5 H . . . . 3 . H5 rr_1esh 1
28 1 . 1 . 1 1 2 2 G H8 H . . . . 2 . H8 rr_1esh 1
28 1 . 2 . 1 1 2 2 G H4' H . . . . 2 . H4' rr_1esh 1
29 1 . 1 . 1 1 3 3 U H1' H . . . . 3 . H1' rr_1esh 1
29 1 . 2 . 1 1 3 3 U H2' H . . . . 3 . H2'' rr_1esh 1
30 1 . 1 . 1 1 3 3 U H6 H . . . . 3 . H6 rr_1esh 1
30 1 . 2 . 1 1 2 2 G H1' H . . . . 2 . H1' rr_1esh 1
31 1 . 1 . 1 1 3 3 U H6 H . . . . 3 . H6 rr_1esh 1
31 1 . 2 . 1 1 3 3 U H1' H . . . . 3 . H1' rr_1esh 1
32 1 . 1 . 1 1 3 3 U H6 H . . . . 3 . H6 rr_1esh 1
32 1 . 2 . 1 1 2 2 G H2' H . . . . 2 . H2'' rr_1esh 1
33 1 . 1 . 1 1 3 3 U H6 H . . . . 3 . H6 rr_1esh 1
33 1 . 2 . 1 1 3 3 U H2' H . . . . 3 . H2'' rr_1esh 1
34 1 . 1 . 1 1 3 3 U H6 H . . . . 3 . H6 rr_1esh 1
34 1 . 2 . 1 1 3 3 U H5 H . . . . 3 . H5 rr_1esh 1
35 1 . 1 . 1 1 3 3 U H6 H . . . . 3 . H6 rr_1esh 1
35 1 . 2 . 1 1 4 4 G H8 H . . . . 4 . H8 rr_1esh 1
36 1 . 1 . 1 1 3 3 U H6 H . . . . 3 . H6 rr_1esh 1
36 1 . 2 . 1 1 3 3 U H3' H . . . . 3 . H3' rr_1esh 1
37 1 . 1 . 1 1 4 4 G H1' H . . . . 4 . H1' rr_1esh 1
37 1 . 2 . 1 1 4 4 G H2' H . . . . 4 . H2'' rr_1esh 1
38 1 . 1 . 1 1 4 4 G H8 H . . . . 4 . H8 rr_1esh 1
38 1 . 2 . 1 1 4 4 G H1' H . . . . 4 . H1' rr_1esh 1
39 1 . 1 . 1 1 4 4 G H8 H . . . . 4 . H8 rr_1esh 1
39 1 . 2 . 1 1 3 3 U H1' H . . . . 3 . H1' rr_1esh 1
40 1 . 1 . 1 1 4 4 G H8 H . . . . 4 . H8 rr_1esh 1
40 1 . 2 . 1 1 3 3 U H2' H . . . . 3 . H2'' rr_1esh 1
41 1 . 1 . 1 1 4 4 G H8 H . . . . 4 . H8 rr_1esh 1
41 1 . 2 . 1 1 3 3 U H3' H . . . . 3 . H3' rr_1esh 1
42 1 . 1 . 1 1 4 4 G H8 H . . . . 4 . H8 rr_1esh 1
42 1 . 2 . 1 1 4 4 G H2' H . . . . 4 . H2'' rr_1esh 1
43 1 . 1 . 1 1 4 4 G H8 H . . . . 4 . H8 rr_1esh 1
43 1 . 2 . 1 1 4 4 G H3' H . . . . 4 . H3' rr_1esh 1
44 1 . 1 . 1 1 4 4 G H8 H . . . . 4 . H8 rr_1esh 1
44 1 . 2 . 1 1 5 5 C H6 H . . . . 5 . H6 rr_1esh 1
45 1 . 1 . 1 1 5 5 C H1' H . . . . 5 . H1' rr_1esh 1
45 1 . 2 . 1 1 5 5 C H2' H . . . . 5 . H2'' rr_1esh 1
46 1 . 1 . 1 1 5 5 C H1' H . . . . 5 . H1' rr_1esh 1
46 1 . 2 . 1 1 4 4 G H2' H . . . . 4 . H2'' rr_1esh 1
47 1 . 1 . 1 1 5 5 C H1' H . . . . 5 . H1' rr_1esh 1
47 1 . 2 . 1 1 5 5 C H5 H . . . . 5 . H5 rr_1esh 1
48 1 . 1 . 1 1 5 5 C H5 H . . . . 5 . H5 rr_1esh 1
48 1 . 2 . 1 1 4 4 G H2' H . . . . 4 . H2'' rr_1esh 1
49 1 . 1 . 1 1 5 5 C H5 H . . . . 5 . H5 rr_1esh 1
49 1 . 2 . 1 1 4 4 G H3' H . . . . 4 . H3' rr_1esh 1
50 1 . 1 . 1 1 5 5 C H5 H . . . . 5 . H5 rr_1esh 1
50 1 . 2 . 1 1 5 5 C H6 H . . . . 5 . H6 rr_1esh 1
51 1 . 1 . 1 1 5 5 C H6 H . . . . 5 . H6 rr_1esh 1
51 1 . 2 . 1 1 4 4 G H2' H . . . . 4 . H2'' rr_1esh 1
52 1 . 1 . 1 1 5 5 C H6 H . . . . 5 . H6 rr_1esh 1
52 1 . 2 . 1 1 5 5 C H2' H . . . . 5 . H2'' rr_1esh 1
53 1 . 1 . 1 1 5 5 C H6 H . . . . 5 . H6 rr_1esh 1
53 1 . 2 . 1 1 4 4 G H1' H . . . . 4 . H1' rr_1esh 1
54 1 . 1 . 1 1 5 5 C H6 H . . . . 5 . H6 rr_1esh 1
54 1 . 2 . 1 1 4 4 G H3' H . . . . 4 . H3' rr_1esh 1
55 1 . 1 . 1 1 5 5 C H6 H . . . . 5 . H6 rr_1esh 1
55 1 . 2 . 1 1 5 5 C H3' H . . . . 5 . H3' rr_1esh 1
56 1 . 1 . 1 1 5 5 C H6 H . . . . 5 . H6 rr_1esh 1
56 1 . 2 . 1 1 5 5 C H1' H . . . . 5 . H1' rr_1esh 1
57 1 . 1 . 1 1 5 5 C H6 H . . . . 5 . H6 rr_1esh 1
57 1 . 2 . 1 1 6 6 A H8 H . . . . 6 . H8 rr_1esh 1
58 1 . 1 . 1 1 5 5 C H6 H . . . . 5 . H6 rr_1esh 1
58 1 . 2 . 1 1 5 5 C H4' H . . . . 5 . H4' rr_1esh 1
59 1 . 1 . 1 1 5 5 C H6 H . . . . 5 . H6 rr_1esh 1
59 1 . 2 . 1 1 5 5 C H5' H . . . . 5 . H5' rr_1esh 1
60 1 . 1 . 1 1 6 6 A H1' H . . . . 6 . H1' rr_1esh 1
60 1 . 2 . 1 1 5 5 C H5' H . . . . 5 . H5' rr_1esh 1
61 1 . 1 . 1 1 6 6 A H1' H . . . . 6 . H1' rr_1esh 1
61 1 . 2 . 1 1 6 6 A H2' H . . . . 6 . H2'' rr_1esh 1
62 1 . 1 . 1 1 6 6 A H1' H . . . . 6 . H1' rr_1esh 1
62 1 . 2 . 1 1 6 6 A H5' H . . . . 6 . H5' rr_1esh 1
63 1 . 1 . 1 1 6 6 A H1' H . . . . 6 . H1' rr_1esh 1
63 1 . 2 . 1 1 7 7 U H4' H . . . . 7 . H4' rr_1esh 1
64 1 . 1 . 1 1 6 6 A H1' H . . . . 6 . H1' rr_1esh 1
64 1 . 2 . 1 1 7 7 U H2' H . . . . 7 . H2'' rr_1esh 1
65 1 . 1 . 1 1 6 6 A H8 H . . . . 6 . H8 rr_1esh 1
65 1 . 2 . 1 1 5 5 C H2' H . . . . 5 . H2'' rr_1esh 1
66 1 . 1 . 1 1 6 6 A H8 H . . . . 6 . H8 rr_1esh 1
66 1 . 2 . 1 1 6 6 A H2' H . . . . 6 . H2'' rr_1esh 1
67 1 . 1 . 1 1 6 6 A H8 H . . . . 6 . H8 rr_1esh 1
67 1 . 2 . 1 1 6 6 A H1' H . . . . 6 . H1' rr_1esh 1
68 1 . 1 . 1 1 6 6 A H8 H . . . . 6 . H8 rr_1esh 1
68 1 . 2 . 1 1 5 5 C H1' H . . . . 5 . H1' rr_1esh 1
69 1 . 1 . 1 1 6 6 A H8 H . . . . 6 . H8 rr_1esh 1
69 1 . 2 . 1 1 5 5 C H4' H . . . . 5 . H4' rr_1esh 1
70 1 . 1 . 1 1 6 6 A H8 H . . . . 6 . H8 rr_1esh 1
70 1 . 2 . 1 1 5 5 C H3' H . . . . 5 . H3' rr_1esh 1
71 1 . 1 . 1 1 6 6 A H8 H . . . . 6 . H8 rr_1esh 1
71 1 . 2 . 1 1 6 6 A H3' H . . . . 6 . H3' rr_1esh 1
72 1 . 1 . 1 1 6 6 A H8 H . . . . 6 . H8 rr_1esh 1
72 1 . 2 . 1 1 6 6 A H4' H . . . . 6 . H4' rr_1esh 1
73 1 . 1 . 1 1 6 6 A H8 H . . . . 6 . H8 rr_1esh 1
73 1 . 2 . 1 1 6 6 A H5' H . . . . 6 . H5' rr_1esh 1
74 1 . 1 . 1 1 6 6 A H8 H . . . . 6 . H8 rr_1esh 1
74 1 . 2 . 1 1 5 5 C H5' H . . . . 5 . H5' rr_1esh 1
75 1 . 1 . 1 1 6 6 A H2 H . . . . 6 . H2 rr_1esh 1
75 1 . 2 . 1 1 6 6 A H1' H . . . . 6 . H1' rr_1esh 1
76 1 . 1 . 1 1 6 6 A H2 H . . . . 6 . H2 rr_1esh 1
76 1 . 2 . 1 1 6 6 A H2' H . . . . 6 . H2'' rr_1esh 1
77 1 . 1 . 1 1 7 7 U H1' H . . . . 7 . H1' rr_1esh 1
77 1 . 2 . 1 1 7 7 U H2' H . . . . 7 . H2'' rr_1esh 1
78 1 . 1 . 1 1 7 7 U H1' H . . . . 7 . H1' rr_1esh 1
78 1 . 2 . 1 1 7 7 U H3' H . . . . 7 . H3' rr_1esh 1
79 1 . 1 . 1 1 7 7 U H1' H . . . . 7 . H1' rr_1esh 1
79 1 . 2 . 1 1 7 7 U H4' H . . . . 7 . H4' rr_1esh 1
80 1 . 1 . 1 1 7 7 U H6 H . . . . 7 . H6 rr_1esh 1
80 1 . 2 . 1 1 7 7 U H5 H . . . . 7 . H5 rr_1esh 1
81 1 . 1 . 1 1 7 7 U H6 H . . . . 7 . H6 rr_1esh 1
81 1 . 2 . 1 1 7 7 U H2' H . . . . 7 . H2'' rr_1esh 1
82 1 . 1 . 1 1 7 7 U H6 H . . . . 7 . H6 rr_1esh 1
82 1 . 2 . 1 1 7 7 U H1' H . . . . 7 . H1' rr_1esh 1
83 1 . 1 . 1 1 7 7 U H6 H . . . . 7 . H6 rr_1esh 1
83 1 . 2 . 1 1 6 6 A H1' H . . . . 6 . H1' rr_1esh 1
84 1 . 1 . 1 1 7 7 U H5 H . . . . 7 . H5 rr_1esh 1
84 1 . 2 . 1 1 6 6 A H1' H . . . . 6 . H1' rr_1esh 1
85 1 . 1 . 1 1 7 7 U H5 H . . . . 7 . H5 rr_1esh 1
85 1 . 2 . 1 1 6 6 A H4' H . . . . 6 . H4' rr_1esh 1
86 1 . 1 . 1 1 7 7 U H5 H . . . . 7 . H5 rr_1esh 1
86 1 . 2 . 1 1 7 7 U H2' H . . . . 7 . H2'' rr_1esh 1
87 1 . 1 . 1 1 7 7 U H6 H . . . . 7 . H6 rr_1esh 1
87 1 . 2 . 1 1 7 7 U H3' H . . . . 7 . H3' rr_1esh 1
88 1 . 1 . 1 1 7 7 U H6 H . . . . 7 . H6 rr_1esh 1
88 1 . 2 . 1 1 6 6 A H2' H . . . . 6 . H2'' rr_1esh 1
89 1 . 1 . 1 1 7 7 U H6 H . . . . 7 . H6 rr_1esh 1
89 1 . 2 . 1 1 6 6 A H3' H . . . . 6 . H3' rr_1esh 1
90 1 . 1 . 1 1 7 7 U H6 H . . . . 7 . H6 rr_1esh 1
90 1 . 2 . 1 1 6 6 A H4' H . . . . 6 . H4' rr_1esh 1
91 1 . 1 . 1 1 7 7 U H6 H . . . . 7 . H6 rr_1esh 1
91 1 . 2 . 1 1 7 7 U H4' H . . . . 7 . H4' rr_1esh 1
92 1 . 1 . 1 1 7 7 U H6 H . . . . 7 . H6 rr_1esh 1
92 1 . 2 . 1 1 7 7 U H5' H . . . . 7 . H5' rr_1esh 1
93 1 . 1 . 1 1 8 8 A H1' H . . . . 8 . H1' rr_1esh 1
93 1 . 2 . 1 1 8 8 A H2' H . . . . 8 . H2'' rr_1esh 1
94 1 . 1 . 1 1 8 8 A H1' H . . . . 8 . H1' rr_1esh 1
94 1 . 2 . 1 1 7 7 U H4' H . . . . 7 . H4' rr_1esh 1
95 1 . 1 . 1 1 8 8 A H8 H . . . . 8 . H8 rr_1esh 1
95 1 . 2 . 1 1 7 7 U H1' H . . . . 7 . H1' rr_1esh 1
96 1 . 1 . 1 1 8 8 A H8 H . . . . 8 . H8 rr_1esh 1
96 1 . 2 . 1 1 7 7 U H2' H . . . . 7 . H2'' rr_1esh 1
97 1 . 1 . 1 1 8 8 A H8 H . . . . 8 . H8 rr_1esh 1
97 1 . 2 . 1 1 8 8 A H1' H . . . . 8 . H1' rr_1esh 1
98 1 . 1 . 1 1 8 8 A H8 H . . . . 8 . H8 rr_1esh 1
98 1 . 2 . 1 1 8 8 A H2' H . . . . 8 . H2'' rr_1esh 1
99 1 . 1 . 1 1 8 8 A H8 H . . . . 8 . H8 rr_1esh 1
99 1 . 2 . 1 1 8 8 A H3' H . . . . 8 . H3' rr_1esh 1
100 1 . 1 . 1 1 8 8 A H8 H . . . . 8 . H8 rr_1esh 1
100 1 . 2 . 1 1 7 7 U H4' H . . . . 7 . H4' rr_1esh 1
101 1 . 1 . 1 1 8 8 A H8 H . . . . 8 . H8 rr_1esh 1
101 1 . 2 . 1 1 9 9 G H1' H . . . . 9 . H1' rr_1esh 1
102 1 . 1 . 1 1 8 8 A H8 H . . . . 8 . H8 rr_1esh 1
102 1 . 2 . 1 1 8 8 A H4' H . . . . 8 . H4' rr_1esh 1
103 1 . 1 . 1 1 8 8 A H8 H . . . . 8 . H8 rr_1esh 1
103 1 . 2 . 1 1 8 8 A H5' H . . . . 8 . H5' rr_1esh 1
104 1 . 1 . 1 1 8 8 A H2 H . . . . 8 . H2 rr_1esh 1
104 1 . 2 . 1 1 6 6 A H1' H . . . . 6 . H1' rr_1esh 1
105 1 . 1 . 1 1 8 8 A H2 H . . . . 8 . H2 rr_1esh 1
105 1 . 2 . 1 1 8 8 A H1' H . . . . 8 . H1' rr_1esh 1
106 1 . 1 . 1 1 8 8 A H2 H . . . . 8 . H2 rr_1esh 1
106 1 . 2 . 1 1 8 8 A H3' H . . . . 8 . H3' rr_1esh 1
107 1 . 1 . 1 1 8 8 A H2 H . . . . 8 . H2 rr_1esh 1
107 1 . 2 . 1 1 5 5 C H2' H . . . . 5 . H2'' rr_1esh 1
108 1 . 1 . 1 1 8 8 A H2 H . . . . 8 . H2 rr_1esh 1
108 1 . 2 . 1 1 5 5 C H1' H . . . . 5 . H1' rr_1esh 1
109 1 . 1 . 1 1 8 8 A H2 H . . . . 8 . H2 rr_1esh 1
109 1 . 2 . 1 1 7 7 U H1' H . . . . 7 . H1' rr_1esh 1
110 1 . 1 . 1 1 8 8 A H2 H . . . . 8 . H2 rr_1esh 1
110 1 . 2 . 1 1 7 7 U H4' H . . . . 7 . H4' rr_1esh 1
111 1 . 1 . 1 1 8 8 A H2 H . . . . 8 . H2 rr_1esh 1
111 1 . 2 . 1 1 7 7 U H5' H . . . . 7 . H5' rr_1esh 1
112 1 . 1 . 1 1 8 8 A H2 H . . . . 8 . H2 rr_1esh 1
112 1 . 2 . 1 1 6 6 A H2' H . . . . 6 . H2'' rr_1esh 1
113 1 . 1 . 1 1 9 9 G H1' H . . . . 9 . H1' rr_1esh 1
113 1 . 2 . 1 1 9 9 G H2' H . . . . 9 . H2'' rr_1esh 1
114 1 . 1 . 1 1 9 9 G H1' H . . . . 9 . H1' rr_1esh 1
114 1 . 2 . 1 1 8 8 A H2' H . . . . 8 . H2'' rr_1esh 1
115 1 . 1 . 1 1 9 9 G H8 H . . . . 9 . H8 rr_1esh 1
115 1 . 2 . 1 1 9 9 G H1' H . . . . 9 . H1' rr_1esh 1
116 1 . 1 . 1 1 9 9 G H8 H . . . . 9 . H8 rr_1esh 1
116 1 . 2 . 1 1 9 9 G H2' H . . . . 9 . H2'' rr_1esh 1
117 1 . 1 . 1 1 9 9 G H8 H . . . . 9 . H8 rr_1esh 1
117 1 . 2 . 1 1 9 9 G H3' H . . . . 9 . H3' rr_1esh 1
118 1 . 1 . 1 1 9 9 G H8 H . . . . 9 . H8 rr_1esh 1
118 1 . 2 . 1 1 9 9 G H4' H . . . . 9 . H4' rr_1esh 1
119 1 . 1 . 1 1 9 9 G H8 H . . . . 9 . H8 rr_1esh 1
119 1 . 2 . 1 1 10 10 C H5 H . . . . 10 . H5 rr_1esh 1
120 1 . 1 . 1 1 9 9 G H8 H . . . . 9 . H8 rr_1esh 1
120 1 . 2 . 1 1 10 10 C H6 H . . . . 10 . H6 rr_1esh 1
121 1 . 1 . 1 1 9 9 G H8 H . . . . 9 . H8 rr_1esh 1
121 1 . 2 . 1 1 8 8 A H5' H . . . . 8 . H5' rr_1esh 1
122 1 . 1 . 1 1 9 9 G H8 H . . . . 9 . H8 rr_1esh 1
122 1 . 2 . 1 1 8 8 A H5'' H . . . . 8 . H5'' rr_1esh 1
123 1 . 1 . 1 1 9 9 G H8 H . . . . 9 . H8 rr_1esh 1
123 1 . 2 . 1 1 9 9 G H5' H . . . . 9 . H5' rr_1esh 1
124 1 . 1 . 1 1 10 10 C H1' H . . . . 10 . H1' rr_1esh 1
124 1 . 2 . 1 1 10 10 C H2' H . . . . 10 . H2'' rr_1esh 1
125 1 . 1 . 1 1 10 10 C H1' H . . . . 10 . H1' rr_1esh 1
125 1 . 2 . 1 1 10 10 C H5 H . . . . 10 . H5 rr_1esh 1
126 1 . 1 . 1 1 10 10 C H5 H . . . . 10 . H5 rr_1esh 1
126 1 . 2 . 1 1 9 9 G H2' H . . . . 9 . H2'' rr_1esh 1
127 1 . 1 . 1 1 10 10 C H5 H . . . . 10 . H5 rr_1esh 1
127 1 . 2 . 1 1 11 11 A H2' H . . . . 11 . H2'' rr_1esh 1
128 1 . 1 . 1 1 10 10 C H6 H . . . . 10 . H6 rr_1esh 1
128 1 . 2 . 1 1 10 10 C H5 H . . . . 10 . H5 rr_1esh 1
129 1 . 1 . 1 1 10 10 C H6 H . . . . 10 . H6 rr_1esh 1
129 1 . 2 . 1 1 9 9 G H1' H . . . . 9 . H1' rr_1esh 1
130 1 . 1 . 1 1 10 10 C H6 H . . . . 10 . H6 rr_1esh 1
130 1 . 2 . 1 1 9 9 G H2' H . . . . 9 . H2'' rr_1esh 1
131 1 . 1 . 1 1 10 10 C H6 H . . . . 10 . H6 rr_1esh 1
131 1 . 2 . 1 1 9 9 G H4' H . . . . 9 . H4' rr_1esh 1
132 1 . 1 . 1 1 10 10 C H6 H . . . . 10 . H6 rr_1esh 1
132 1 . 2 . 1 1 10 10 C H1' H . . . . 10 . H1' rr_1esh 1
133 1 . 1 . 1 1 10 10 C H6 H . . . . 10 . H6 rr_1esh 1
133 1 . 2 . 1 1 10 10 C H2' H . . . . 10 . H2'' rr_1esh 1
134 1 . 1 . 1 1 11 11 A H1' H . . . . 11 . H1' rr_1esh 1
134 1 . 2 . 1 1 11 11 A H2' H . . . . 11 . H2'' rr_1esh 1
135 1 . 1 . 1 1 11 11 A H1' H . . . . 11 . H1' rr_1esh 1
135 1 . 2 . 1 1 12 12 C H5 H . . . . 12 . H5 rr_1esh 1
136 1 . 1 . 1 1 11 11 A H8 H . . . . 11 . H8 rr_1esh 1
136 1 . 2 . 1 1 11 11 A H1' H . . . . 11 . H1' rr_1esh 1
137 1 . 1 . 1 1 11 11 A H8 H . . . . 11 . H8 rr_1esh 1
137 1 . 2 . 1 1 11 11 A H2' H . . . . 11 . H2'' rr_1esh 1
138 1 . 1 . 1 1 11 11 A H8 H . . . . 11 . H8 rr_1esh 1
138 1 . 2 . 1 1 11 11 A H3' H . . . . 11 . H3' rr_1esh 1
139 1 . 1 . 1 1 11 11 A H8 H . . . . 11 . H8 rr_1esh 1
139 1 . 2 . 1 1 11 11 A H4' H . . . . 11 . H4' rr_1esh 1
140 1 . 1 . 1 1 11 11 A H8 H . . . . 11 . H8 rr_1esh 1
140 1 . 2 . 1 1 10 10 C H1' H . . . . 10 . H1' rr_1esh 1
141 1 . 1 . 1 1 11 11 A H8 H . . . . 11 . H8 rr_1esh 1
141 1 . 2 . 1 1 10 10 C H2' H . . . . 10 . H2'' rr_1esh 1
142 1 . 1 . 1 1 11 11 A H8 H . . . . 11 . H8 rr_1esh 1
142 1 . 2 . 1 1 10 10 C H6 H . . . . 10 . H6 rr_1esh 1
143 1 . 1 . 1 1 11 11 A H2 H . . . . 11 . H2 rr_1esh 1
143 1 . 2 . 1 1 4 4 G H1' H . . . . 4 . H1' rr_1esh 1
144 1 . 1 . 1 1 11 11 A H2 H . . . . 11 . H2 rr_1esh 1
144 1 . 2 . 1 1 12 12 C H1' H . . . . 12 . H1' rr_1esh 1
145 1 . 1 . 1 1 11 11 A H2 H . . . . 11 . H2 rr_1esh 1
145 1 . 2 . 1 1 11 11 A H1' H . . . . 11 . H1' rr_1esh 1
146 1 . 1 . 1 1 12 12 C H1' H . . . . 12 . H1' rr_1esh 1
146 1 . 2 . 1 1 12 12 C H2' H . . . . 12 . H2'' rr_1esh 1
147 1 . 1 . 1 1 12 12 C H6 H . . . . 12 . H6 rr_1esh 1
147 1 . 2 . 1 1 12 12 C H5 H . . . . 12 . H5 rr_1esh 1
148 1 . 1 . 1 1 12 12 C H6 H . . . . 12 . H6 rr_1esh 1
148 1 . 2 . 1 1 11 11 A H8 H . . . . 11 . H8 rr_1esh 1
149 1 . 1 . 1 1 12 12 C H6 H . . . . 12 . H6 rr_1esh 1
149 1 . 2 . 1 1 11 11 A H1' H . . . . 11 . H1' rr_1esh 1
150 1 . 1 . 1 1 12 12 C H6 H . . . . 12 . H6 rr_1esh 1
150 1 . 2 . 1 1 11 11 A H2' H . . . . 11 . H2'' rr_1esh 1
151 1 . 1 . 1 1 12 12 C H6 H . . . . 12 . H6 rr_1esh 1
151 1 . 2 . 1 1 12 12 C H1' H . . . . 12 . H1' rr_1esh 1
152 1 . 1 . 1 1 12 12 C H6 H . . . . 12 . H6 rr_1esh 1
152 1 . 2 . 1 1 12 12 C H2' H . . . . 12 . H2' rr_1esh 1
153 1 . 1 . 1 1 12 12 C H6 H . . . . 12 . H6 rr_1esh 1
153 1 . 2 . 1 1 12 12 C H3' H . . . . 12 . H3' rr_1esh 1
154 1 . 1 . 1 1 12 12 C H6 H . . . . 12 . H6 rr_1esh 1
154 1 . 2 . 1 1 12 12 C H4' H . . . . 12 . H4' rr_1esh 1
155 1 . 1 . 1 1 13 13 C H6 H . . . . 13 . H6 rr_1esh 1
155 1 . 2 . 1 1 13 13 C H5 H . . . . 13 . H5 rr_1esh 1
156 1 . 1 . 1 1 13 13 C H6 H . . . . 13 . H6 rr_1esh 1
156 1 . 2 . 1 1 12 12 C H6 H . . . . 12 . H6 rr_1esh 1
157 1 . 1 . 1 1 13 13 C H1' H . . . . 13 . H1' rr_1esh 1
157 1 . 2 . 1 1 13 13 C H2' H . . . . 13 . H2'' rr_1esh 1
158 1 . 1 . 1 1 13 13 C H6 H . . . . 13 . H6 rr_1esh 1
158 1 . 2 . 1 1 12 12 C H2' H . . . . 12 . H2'' rr_1esh 1
159 1 . 1 . 1 1 13 13 C H6 H . . . . 13 . H6 rr_1esh 1
159 1 . 2 . 1 1 12 12 C H1' H . . . . 12 . H1' rr_1esh 1
160 1 . 1 . 1 1 13 13 C H6 H . . . . 13 . H6 rr_1esh 1
160 1 . 2 . 1 1 13 13 C H1' H . . . . 13 . H1' rr_1esh 1
161 1 . 1 . 1 1 13 13 C H6 H . . . . 13 . H6 rr_1esh 1
161 1 . 2 . 1 1 13 13 C H2' H . . . . 13 . H2'' rr_1esh 1
162 1 . 1 . 1 1 13 13 C H6 H . . . . 13 . H6 rr_1esh 1
162 1 . 2 . 1 1 13 13 C H3' H . . . . 13 . H3' rr_1esh 1
163 1 . 1 . 1 1 13 13 C H6 H . . . . 13 . H6 rr_1esh 1
163 1 . 2 . 1 1 12 12 C H3' H . . . . 12 . H3' rr_1esh 1
164 1 . 1 . 1 1 13 13 C H6 H . . . . 13 . H6 rr_1esh 1
164 1 . 2 . 1 1 13 13 C H4' H . . . . 13 . H4' rr_1esh 1
stop_
loop_
_Dist_constraint_value.Constraint_ID
_Dist_constraint_value.Tree_node_ID
_Dist_constraint_value.Source_experiment_ID
_Dist_constraint_value.Spectral_peak_ID
_Dist_constraint_value.Spectral_peak_list_ID
_Dist_constraint_value.Intensity_val
_Dist_constraint_value.Intensity_lower_val_err
_Dist_constraint_value.Intensity_upper_val_err
_Dist_constraint_value.Distance_val
_Dist_constraint_value.Distance_lower_bound_val
_Dist_constraint_value.Distance_upper_bound_val
_Dist_constraint_value.Entry_ID
_Dist_constraint_value.Distance_constraint_list_ID
1 1 . . . . . . 1.8 1.8 5.0 rr_1esh 1
2 1 . . . . . . 1.8 1.8 5.0 rr_1esh 1
3 1 . . . . . . 1.8 1.8 5.0 rr_1esh 1
4 1 . . . . . . 1.8 1.8 5.0 rr_1esh 1
5 1 . . . . . . 1.8 1.8 5.0 rr_1esh 1
6 1 . . . . . . 1.8 1.8 5.0 rr_1esh 1
7 1 . . . . . . 1.8 1.8 5.0 rr_1esh 1
8 1 . . . . . . 1.8 1.8 5.0 rr_1esh 1
9 1 . . . . . . 1.8 1.8 5.0 rr_1esh 1
10 1 . . . . . . 1.8 1.8 5.0 rr_1esh 1
11 1 . . . . . . 1.8 1.8 5.0 rr_1esh 1
12 1 . . . . . . 1.8 1.8 5.0 rr_1esh 1
13 1 . . . . . . 1.8 1.8 3.2 rr_1esh 1
14 1 . . . . . . 2.5 2.5 5.0 rr_1esh 1
15 1 . . . . . . 2.0 2.0 4.0 rr_1esh 1
16 1 . . . . . . 2.5 2.5 5.0 rr_1esh 1
17 1 . . . . . . 3.0 3.0 7.0 rr_1esh 1
18 1 . . . . . . 2.5 2.5 5.0 rr_1esh 1
19 1 . . . . . . 1.8 1.8 3.2 rr_1esh 1
20 1 . . . . . . 3.0 3.0 7.0 rr_1esh 1
21 1 . . . . . . 2.5 2.5 5.0 rr_1esh 1
22 1 . . . . . . 2.5 2.5 5.0 rr_1esh 1
23 1 . . . . . . 1.8 1.8 3.2 rr_1esh 1
24 1 . . . . . . 3.0 3.0 7.0 rr_1esh 1
25 1 . . . . . . 2.0 2.0 4.0 rr_1esh 1
26 1 . . . . . . 3.0 3.0 7.0 rr_1esh 1
27 1 . . . . . . 3.0 3.0 7.0 rr_1esh 1
28 1 . . . . . . 3.0 3.0 7.0 rr_1esh 1
29 1 . . . . . . 1.8 1.8 3.2 rr_1esh 1
30 1 . . . . . . 2.5 2.5 5.0 rr_1esh 1
31 1 . . . . . . 2.5 2.5 5.0 rr_1esh 1
32 1 . . . . . . 1.8 1.8 3.2 rr_1esh 1
33 1 . . . . . . 2.0 2.0 4.0 rr_1esh 1
34 1 . . . . . . 1.8 1.8 3.2 rr_1esh 1
35 1 . . . . . . 3.0 3.0 7.0 rr_1esh 1
36 1 . . . . . . 2.0 2.0 4.0 rr_1esh 1
37 1 . . . . . . 1.8 1.8 3.2 rr_1esh 1
38 1 . . . . . . 2.5 2.5 5.0 rr_1esh 1
39 1 . . . . . . 2.5 2.5 5.0 rr_1esh 1
40 1 . . . . . . 1.8 1.8 3.2 rr_1esh 1
41 1 . . . . . . 2.5 2.5 5.0 rr_1esh 1
42 1 . . . . . . 2.5 2.5 5.0 rr_1esh 1
43 1 . . . . . . 2.0 2.0 4.0 rr_1esh 1
44 1 . . . . . . 3.0 3.0 7.0 rr_1esh 1
45 1 . . . . . . 1.8 1.8 3.2 rr_1esh 1
46 1 . . . . . . 3.0 3.0 7.0 rr_1esh 1
47 1 . . . . . . 3.0 3.0 7.0 rr_1esh 1
48 1 . . . . . . 2.5 2.5 5.0 rr_1esh 1
49 1 . . . . . . 2.5 2.5 5.0 rr_1esh 1
50 1 . . . . . . 1.8 1.8 3.2 rr_1esh 1
51 1 . . . . . . 1.8 1.8 3.2 rr_1esh 1
52 1 . . . . . . 2.0 2.0 4.0 rr_1esh 1
53 1 . . . . . . 2.5 2.5 5.0 rr_1esh 1
54 1 . . . . . . 2.5 2.5 5.0 rr_1esh 1
55 1 . . . . . . 2.0 2.0 4.0 rr_1esh 1
56 1 . . . . . . 2.5 2.5 5.0 rr_1esh 1
57 1 . . . . . . 3.0 3.0 7.0 rr_1esh 1
58 1 . . . . . . 3.0 3.0 7.0 rr_1esh 1
59 1 . . . . . . 3.0 3.0 7.0 rr_1esh 1
60 1 . . . . . . 3.0 3.0 7.0 rr_1esh 1
61 1 . . . . . . 1.8 1.8 3.2 rr_1esh 1
62 1 . . . . . . 3.0 3.0 7.0 rr_1esh 1
63 1 . . . . . . 3.0 3.0 7.0 rr_1esh 1
64 1 . . . . . . 3.0 3.0 7.0 rr_1esh 1
65 1 . . . . . . 2.5 2.5 5.0 rr_1esh 1
66 1 . . . . . . 2.5 2.5 5.0 rr_1esh 1
67 1 . . . . . . 2.5 2.5 5.0 rr_1esh 1
68 1 . . . . . . 2.5 2.5 5.0 rr_1esh 1
69 1 . . . . . . 3.0 3.0 7.0 rr_1esh 1
70 1 . . . . . . 2.0 2.0 4.0 rr_1esh 1
71 1 . . . . . . 2.5 2.5 5.0 rr_1esh 1
72 1 . . . . . . 2.5 2.5 5.0 rr_1esh 1
73 1 . . . . . . 3.0 3.0 7.0 rr_1esh 1
74 1 . . . . . . 3.0 3.0 7.0 rr_1esh 1
75 1 . . . . . . 3.0 3.0 7.0 rr_1esh 1
76 1 . . . . . . 3.0 3.0 7.0 rr_1esh 1
77 1 . . . . . . 1.8 1.8 3.2 rr_1esh 1
78 1 . . . . . . 2.5 2.5 5.0 rr_1esh 1
79 1 . . . . . . 2.5 2.5 5.0 rr_1esh 1
80 1 . . . . . . 1.8 1.8 3.2 rr_1esh 1
81 1 . . . . . . 1.8 1.8 3.2 rr_1esh 1
82 1 . . . . . . 2.5 2.5 5.0 rr_1esh 1
83 1 . . . . . . 2.5 2.5 5.0 rr_1esh 1
84 1 . . . . . . 2.5 2.5 5.0 rr_1esh 1
85 1 . . . . . . 2.5 2.5 5.0 rr_1esh 1
86 1 . . . . . . 2.5 2.5 5.0 rr_1esh 1
87 1 . . . . . . 2.0 2.0 4.0 rr_1esh 1
88 1 . . . . . . 3.0 3.0 7.0 rr_1esh 1
89 1 . . . . . . 3.0 3.0 7.0 rr_1esh 1
90 1 . . . . . . 3.0 3.0 7.0 rr_1esh 1
91 1 . . . . . . 2.5 2.5 5.0 rr_1esh 1
92 1 . . . . . . 3.0 3.0 7.0 rr_1esh 1
93 1 . . . . . . 1.8 1.8 3.2 rr_1esh 1
94 1 . . . . . . 3.0 3.0 7.0 rr_1esh 1
95 1 . . . . . . 3.0 3.0 7.0 rr_1esh 1
96 1 . . . . . . 3.0 3.0 7.0 rr_1esh 1
97 1 . . . . . . 2.0 2.0 4.0 rr_1esh 1
98 1 . . . . . . 2.0 2.0 4.0 rr_1esh 1
99 1 . . . . . . 2.5 2.5 5.0 rr_1esh 1
100 1 . . . . . . 2.5 2.5 5.0 rr_1esh 1
101 1 . . . . . . 3.0 3.0 7.0 rr_1esh 1
102 1 . . . . . . 3.0 3.0 7.0 rr_1esh 1
103 1 . . . . . . 3.0 3.0 7.0 rr_1esh 1
104 1 . . . . . . 3.0 3.0 7.0 rr_1esh 1
105 1 . . . . . . 2.5 2.5 5.0 rr_1esh 1
106 1 . . . . . . 3.0 3.0 7.0 rr_1esh 1
107 1 . . . . . . 2.5 2.5 5.0 rr_1esh 1
108 1 . . . . . . 2.5 2.5 5.0 rr_1esh 1
109 1 . . . . . . 2.5 2.5 5.0 rr_1esh 1
110 1 . . . . . . 2.5 2.5 5.0 rr_1esh 1
111 1 . . . . . . 2.5 2.5 5.0 rr_1esh 1
112 1 . . . . . . 3.0 3.0 7.0 rr_1esh 1
113 1 . . . . . . 1.8 1.8 3.2 rr_1esh 1
114 1 . . . . . . 3.0 3.0 7.0 rr_1esh 1
115 1 . . . . . . 2.5 2.5 5.0 rr_1esh 1
116 1 . . . . . . 1.8 1.8 3.2 rr_1esh 1
117 1 . . . . . . 2.5 2.5 5.0 rr_1esh 1
118 1 . . . . . . 3.0 3.0 7.0 rr_1esh 1
119 1 . . . . . . 3.0 3.0 7.0 rr_1esh 1
120 1 . . . . . . 3.0 3.0 7.0 rr_1esh 1
121 1 . . . . . . 3.0 3.0 7.0 rr_1esh 1
122 1 . . . . . . 3.0 3.0 7.0 rr_1esh 1
123 1 . . . . . . 3.0 3.0 7.0 rr_1esh 1
124 1 . . . . . . 1.8 1.8 3.2 rr_1esh 1
125 1 . . . . . . 3.0 3.0 7.0 rr_1esh 1
126 1 . . . . . . 3.0 3.0 7.0 rr_1esh 1
127 1 . . . . . . 3.0 3.0 7.0 rr_1esh 1
128 1 . . . . . . 1.8 1.8 3.2 rr_1esh 1
129 1 . . . . . . 1.8 1.8 3.2 rr_1esh 1
130 1 . . . . . . 3.0 3.0 7.0 rr_1esh 1
131 1 . . . . . . 3.0 3.0 7.0 rr_1esh 1
132 1 . . . . . . 2.5 2.5 5.0 rr_1esh 1
133 1 . . . . . . 2.5 2.5 5.0 rr_1esh 1
134 1 . . . . . . 1.8 1.8 3.2 rr_1esh 1
135 1 . . . . . . 3.0 3.0 7.0 rr_1esh 1
136 1 . . . . . . 2.5 2.5 5.0 rr_1esh 1
137 1 . . . . . . 2.5 2.5 5.0 rr_1esh 1
138 1 . . . . . . 2.5 2.5 5.0 rr_1esh 1
139 1 . . . . . . 3.0 3.0 7.0 rr_1esh 1
140 1 . . . . . . 2.5 2.5 5.0 rr_1esh 1
141 1 . . . . . . 1.8 1.8 3.2 rr_1esh 1
142 1 . . . . . . 3.0 3.0 7.0 rr_1esh 1
143 1 . . . . . . 2.5 2.5 5.0 rr_1esh 1
144 1 . . . . . . 2.5 2.5 5.0 rr_1esh 1
145 1 . . . . . . 3.0 3.0 7.0 rr_1esh 1
146 1 . . . . . . 1.8 1.8 3.2 rr_1esh 1
147 1 . . . . . . 1.8 1.8 3.2 rr_1esh 1
148 1 . . . . . . 3.0 3.0 7.0 rr_1esh 1
149 1 . . . . . . 2.5 2.5 5.0 rr_1esh 1
150 1 . . . . . . 1.8 1.8 3.2 rr_1esh 1
151 1 . . . . . . 2.5 2.5 5.0 rr_1esh 1
152 1 . . . . . . 2.5 2.5 5.0 rr_1esh 1
153 1 . . . . . . 2.0 2.0 4.0 rr_1esh 1
154 1 . . . . . . 3.0 3.0 7.0 rr_1esh 1
155 1 . . . . . . 1.8 1.8 3.2 rr_1esh 1
156 1 . . . . . . 3.0 3.0 7.0 rr_1esh 1
157 1 . . . . . . 1.8 1.8 3.2 rr_1esh 1
158 1 . . . . . . 1.8 1.8 3.2 rr_1esh 1
159 1 . . . . . . 2.5 2.5 5.0 rr_1esh 1
160 1 . . . . . . 2.5 2.5 5.0 rr_1esh 1
161 1 . . . . . . 2.0 2.0 4.0 rr_1esh 1
162 1 . . . . . . 2.0 2.0 4.0 rr_1esh 1
163 1 . . . . . . 2.5 2.5 5.0 rr_1esh 1
164 1 . . . . . . 3.0 3.0 7.0 rr_1esh 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 RESTRICTIONS FOR EXCHANGEABLE PROTONS FROM THE H2O NOESY" 1 1 1 1 rr_1esh 1
2 "from 200ms H2O NOESY at 20c and 300ms H2O NOESY at 10c" 3 1 3 1 rr_1esh 1
3 "imino proton to imino proton" 5 1 5 1 rr_1esh 1
4 "imino proton to amino proton A h2 proton aromatic proton, or" 11 3 11 3 rr_1esh 1
5 "Distance restriction for nonexchangeable protons from D2O NOESY" 23 1 23 1 rr_1esh 1
6 G1 25 1 25 1 rr_1esh 1
7 G2 33 1 33 1 rr_1esh 1
8 U3 46 1 46 1 rr_1esh 1
9 G4 60 1 60 1 rr_1esh 1
10 C5 71 1 71 1 rr_1esh 1
11 A6 89 1 89 1 rr_1esh 1
12 U7 109 1 109 1 rr_1esh 1
13 A8 129 1 129 1 rr_1esh 1
14 G9 154 1 154 1 rr_1esh 1
15 C10 169 1 169 1 rr_1esh 1
16 A11 182 1 182 1 rr_1esh 1
17 C12 197 1 197 1 rr_1esh 1
18 C13 209 1 209 1 rr_1esh 1
stop_
save_
save_CNS/XPLOR_distance_constraints_2_1
_Distance_constraint_list.Sf_category distance_constraints
_Distance_constraint_list.Sf_framecode CNS/XPLOR_distance_constraints_2_1
_Distance_constraint_list.Entry_ID rr_1esh
_Distance_constraint_list.ID 1
_Distance_constraint_list.Constraint_type "hydrogen bond"
_Distance_constraint_list.Details "Generated by Wattos"
_Distance_constraint_list.Constraint_file_ID 1
_Distance_constraint_list.Block_ID 2
loop_
_Distance_constraint_software.Software_ID
_Distance_constraint_software.Software_label
_Distance_constraint_software.Method_ID
_Distance_constraint_software.Method_label
_Distance_constraint_software.Entry_ID
_Distance_constraint_software.Distance_constraint_list_ID
. . . . rr_1esh 2
stop_
loop_
_Dist_constraint_tree.Constraint_ID
_Dist_constraint_tree.Node_ID
_Dist_constraint_tree.Down_node_ID
_Dist_constraint_tree.Right_node_ID
_Dist_constraint_tree.Logic_operation
_Dist_constraint_tree.Entry_ID
_Dist_constraint_tree.Distance_constraint_list_ID
1 1 . . . rr_1esh 2
2 1 . . . rr_1esh 2
3 1 . . . rr_1esh 2
4 1 . . . rr_1esh 2
5 1 . . . rr_1esh 2
6 1 . . . rr_1esh 2
7 1 . . . rr_1esh 2
8 1 . . . rr_1esh 2
9 1 . . . rr_1esh 2
10 1 . . . rr_1esh 2
11 1 . . . rr_1esh 2
12 1 . . . rr_1esh 2
13 1 . . . rr_1esh 2
14 1 . . . rr_1esh 2
15 1 . . . rr_1esh 2
16 1 . . . rr_1esh 2
17 1 . . . rr_1esh 2
18 1 . . . rr_1esh 2
19 1 . . . rr_1esh 2
20 1 . . . rr_1esh 2
stop_
loop_
_Dist_constraint.Tree_node_member_constraint_ID
_Dist_constraint.Tree_node_member_node_ID
_Dist_constraint.Contribution_fractional_val
_Dist_constraint.Constraint_tree_node_member_ID
_Dist_constraint.Assembly_atom_ID
_Dist_constraint.Entity_assembly_ID
_Dist_constraint.Entity_ID
_Dist_constraint.Comp_index_ID
_Dist_constraint.Seq_ID
_Dist_constraint.Comp_ID
_Dist_constraint.Atom_ID
_Dist_constraint.Atom_type
_Dist_constraint.Atom_isotope_number
_Dist_constraint.Resonance_ID
_Dist_constraint.Auth_asym_ID
_Dist_constraint.Auth_entity_assembly_ID
_Dist_constraint.Auth_seq_ID
_Dist_constraint.Auth_comp_ID
_Dist_constraint.Auth_atom_ID
_Dist_constraint.Entry_ID
_Dist_constraint.Distance_constraint_list_ID
1 1 . 1 . 1 1 13 13 C H41 H . . . . 13 . H41 rr_1esh 2
1 1 . 2 . 1 1 1 1 G O6 O . . . . 1 . O6 rr_1esh 2
2 1 . 1 . 1 1 13 13 C N3 N . . . . 13 . N3 rr_1esh 2
2 1 . 2 . 1 1 1 1 G H21 H . . . . 1 . H21 rr_1esh 2
3 1 . 1 . 1 1 13 13 C O2 O . . . . 13 . O2 rr_1esh 2
3 1 . 2 . 1 1 1 1 G H21 H . . . . 1 . H21 rr_1esh 2
4 1 . 1 . 1 1 13 13 C N3 N . . . . 13 . N3 rr_1esh 2
4 1 . 2 . 1 1 1 1 G H1 H . . . . 1 . H1 rr_1esh 2
5 1 . 1 . 1 1 12 12 C H41 H . . . . 12 . H41 rr_1esh 2
5 1 . 2 . 1 1 2 2 G O6 O . . . . 2 . O6 rr_1esh 2
6 1 . 1 . 1 1 12 12 C N3 N . . . . 12 . N3 rr_1esh 2
6 1 . 2 . 1 1 2 2 G H21 H . . . . 2 . H21 rr_1esh 2
7 1 . 1 . 1 1 12 12 C O2 O . . . . 12 . O2 rr_1esh 2
7 1 . 2 . 1 1 2 2 G H21 H . . . . 2 . H21 rr_1esh 2
8 1 . 1 . 1 1 12 12 C N3 N . . . . 12 . N3 rr_1esh 2
8 1 . 2 . 1 1 2 2 G H1 H . . . . 2 . H1 rr_1esh 2
9 1 . 1 . 1 1 11 11 A H2 H . . . . 11 . H2 rr_1esh 2
9 1 . 2 . 1 1 3 3 U O2 O . . . . 3 . O2 rr_1esh 2
10 1 . 1 . 1 1 11 11 A N1 N . . . . 11 . N1 rr_1esh 2
10 1 . 2 . 1 1 3 3 U H3 H . . . . 3 . H3 rr_1esh 2
11 1 . 1 . 1 1 11 11 A H61 H . . . . 11 . H61 rr_1esh 2
11 1 . 2 . 1 1 3 3 U O4 O . . . . 3 . O4 rr_1esh 2
12 1 . 1 . 1 1 11 11 A H2 H . . . . 11 . H2 rr_1esh 2
12 1 . 2 . 1 1 3 3 U H3 H . . . . 3 . H3 rr_1esh 2
13 1 . 1 . 1 1 10 10 C H41 H . . . . 10 . H41 rr_1esh 2
13 1 . 2 . 1 1 4 4 G O6 O . . . . 4 . O6 rr_1esh 2
14 1 . 1 . 1 1 10 10 C N3 N . . . . 10 . N3 rr_1esh 2
14 1 . 2 . 1 1 4 4 G H21 H . . . . 4 . H21 rr_1esh 2
15 1 . 1 . 1 1 10 10 C O2 O . . . . 10 . O2 rr_1esh 2
15 1 . 2 . 1 1 4 4 G H21 H . . . . 4 . H21 rr_1esh 2
16 1 . 1 . 1 1 10 10 C N3 N . . . . 10 . N3 rr_1esh 2
16 1 . 2 . 1 1 4 4 G H1 H . . . . 4 . H1 rr_1esh 2
17 1 . 1 . 1 1 5 5 C H41 H . . . . 5 . H41 rr_1esh 2
17 1 . 2 . 1 1 9 9 G O6 O . . . . 9 . O6 rr_1esh 2
18 1 . 1 . 1 1 5 5 C N3 N . . . . 5 . N3 rr_1esh 2
18 1 . 2 . 1 1 9 9 G H21 H . . . . 9 . H21 rr_1esh 2
19 1 . 1 . 1 1 5 5 C O2 O . . . . 5 . O2 rr_1esh 2
19 1 . 2 . 1 1 9 9 G H21 H . . . . 9 . H21 rr_1esh 2
20 1 . 1 . 1 1 5 5 C N3 N . . . . 5 . N3 rr_1esh 2
20 1 . 2 . 1 1 9 9 G H1 H . . . . 9 . H1 rr_1esh 2
stop_
loop_
_Dist_constraint_value.Constraint_ID
_Dist_constraint_value.Tree_node_ID
_Dist_constraint_value.Source_experiment_ID
_Dist_constraint_value.Spectral_peak_ID
_Dist_constraint_value.Spectral_peak_list_ID
_Dist_constraint_value.Intensity_val
_Dist_constraint_value.Intensity_lower_val_err
_Dist_constraint_value.Intensity_upper_val_err
_Dist_constraint_value.Distance_val
_Dist_constraint_value.Distance_lower_bound_val
_Dist_constraint_value.Distance_upper_bound_val
_Dist_constraint_value.Entry_ID
_Dist_constraint_value.Distance_constraint_list_ID
1 1 . . . . . . 1.7 1.6 1.8 rr_1esh 2
2 1 . . . . . . 3.0 2.9 3.1 rr_1esh 2
3 1 . . . . . . 2.0 1.9 2.1 rr_1esh 2
4 1 . . . . . . 1.9 1.8 2.0 rr_1esh 2
5 1 . . . . . . 1.7 1.6 1.8 rr_1esh 2
6 1 . . . . . . 3.0 2.9 3.1 rr_1esh 2
7 1 . . . . . . 2.0 1.9 2.1 rr_1esh 2
8 1 . . . . . . 1.9 1.8 2.0 rr_1esh 2
9 1 . . . . . . 3.2 3.1 3.3 rr_1esh 2
10 1 . . . . . . 1.9 1.8 2.0 rr_1esh 2
11 1 . . . . . . 1.8 1.7 1.9 rr_1esh 2
12 1 . . . . . . 2.9 2.8 3.0 rr_1esh 2
13 1 . . . . . . 1.7 1.6 1.8 rr_1esh 2
14 1 . . . . . . 3.0 2.9 3.1 rr_1esh 2
15 1 . . . . . . 2.0 1.9 2.1 rr_1esh 2
16 1 . . . . . . 1.9 1.8 2.0 rr_1esh 2
17 1 . . . . . . 1.7 1.6 1.8 rr_1esh 2
18 1 . . . . . . 3.0 2.9 3.1 rr_1esh 2
19 1 . . . . . . 2.0 1.9 2.1 rr_1esh 2
20 1 . . . . . . 1.9 1.8 2.0 rr_1esh 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 "BASE PAIRING - based on standard H-bond distances" 1 1 1 1 rr_1esh 2
2 "base pair G1-C13" 3 2 3 2 rr_1esh 2
3 "base pair G2-C12" 9 2 9 2 rr_1esh 2
4 "base pairing U3-A11" 15 7 15 7 rr_1esh 2
5 "base pair G4-C10" 21 9 21 9 rr_1esh 2
6 "base pair C5-G9" 27 3 27 3 rr_1esh 2
stop_
save_
save_CNS/XPLOR_dihedral_5
_Torsion_angle_constraint_list.Sf_category torsion_angle_constraints
_Torsion_angle_constraint_list.Sf_framecode CNS/XPLOR_dihedral_5
_Torsion_angle_constraint_list.Entry_ID rr_1esh
_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 5
loop_
_Torsion_angle_constraint_software.Software_ID
_Torsion_angle_constraint_software.Software_label
_Torsion_angle_constraint_software.Method_ID
_Torsion_angle_constraint_software.Method_label
_Torsion_angle_constraint_software.Entry_ID
_Torsion_angle_constraint_software.Torsion_angle_constraint_list_ID
. . . . rr_1esh 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 H22 H . . 1 1 1 1 G N2 N . . 1 1 1 1 G C2 C . . 1 1 1 1 G N3 N . -5.0 5.0 . . . A . 1 G H22 . . A . 1 G N2 . . A . 1 G C2 . . A . 1 G N3 . . . 1 . H22 . . . . . 1 . N2 . . . . . 1 . C2 . . . . . 1 . N3 . . rr_1esh 1
2 . . 1 1 2 2 G H22 H . . 1 1 2 2 G N2 N . . 1 1 2 2 G C2 C . . 1 1 2 2 G N3 N . -5.0 5.0 . . . A . 2 G H22 . . A . 2 G N2 . . A . 2 G C2 . . A . 2 G N3 . . . 2 . H22 . . . . . 2 . N2 . . . . . 2 . C2 . . . . . 2 . N3 . . rr_1esh 1
3 . . 1 1 4 4 G H22 H . . 1 1 4 4 G N2 N . . 1 1 4 4 G C2 C . . 1 1 4 4 G N3 N . -5.0 5.0 . . . A . 4 G H22 . . A . 4 G N2 . . A . 4 G C2 . . A . 4 G N3 . . . 4 . H22 . . . . . 4 . N2 . . . . . 4 . C2 . . . . . 4 . N3 . . rr_1esh 1
4 . . 1 1 9 9 G H22 H . . 1 1 9 9 G N2 N . . 1 1 9 9 G C2 C . . 1 1 9 9 G N3 N . -5.0 5.0 . . . A . 9 G H22 . . A . 9 G N2 . . A . 9 G C2 . . A . 9 G N3 . . . 9 . H22 . . . . . 9 . N2 . . . . . 9 . C2 . . . . . 9 . N3 . . rr_1esh 1
5 . . 1 1 5 5 C H42 H . . 1 1 5 5 C N4 N . . 1 1 5 5 C C4 C . . 1 1 5 5 C C5 C . -5.0 5.0 . . . A . 5 C H42 . . A . 5 C N4 . . A . 5 C C4 . . A . 5 C C5 . . . 5 . H42 . . . . . 5 . N4 . . . . . 5 . C4 . . . . . 5 . C5 . . rr_1esh 1
6 . . 1 1 10 10 C H42 H . . 1 1 10 10 C N4 N . . 1 1 10 10 C C4 C . . 1 1 10 10 C C5 C . -5.0 5.0 . . . A . 10 C H42 . . A . 10 C N4 . . A . 10 C C4 . . A . 10 C C5 . . . 10 . H42 . . . . . 10 . N4 . . . . . 10 . C4 . . . . . 10 . C5 . . rr_1esh 1
7 . . 1 1 12 12 C H42 H . . 1 1 12 12 C N4 N . . 1 1 12 12 C C4 C . . 1 1 12 12 C C5 C . -5.0 5.0 . . . A . 12 C H42 . . A . 12 C N4 . . A . 12 C C4 . . A . 12 C C5 . . . 12 . H42 . . . . . 12 . N4 . . . . . 12 . C4 . . . . . 12 . C5 . . rr_1esh 1
8 . . 1 1 13 13 C H42 H . . 1 1 13 13 C N4 N . . 1 1 13 13 C C4 C . . 1 1 13 13 C C5 C . -5.0 5.0 . . . A . 13 C H42 . . A . 13 C N4 . . A . 13 C C4 . . A . 13 C C5 . . . 13 . H42 . . . . . 13 . N4 . . . . . 13 . C4 . . . . . 13 . C5 . . rr_1esh 1
9 . . 1 1 6 6 A H62 H . . 1 1 6 6 A N6 N . . 1 1 6 6 A C6 C . . 1 1 6 6 A C5 C . -5.0 5.0 . . . A . 6 A H62 . . A . 6 A N6 . . A . 6 A C6 . . A . 6 A C5 . . . 6 . H62 . . . . . 6 . N6 . . . . . 6 . C6 . . . . . 6 . C5 . . rr_1esh 1
10 . . 1 1 8 8 A H62 H . . 1 1 8 8 A N6 N . . 1 1 8 8 A C6 C . . 1 1 8 8 A C5 C . -5.0 5.0 . . . A . 8 A H62 . . A . 8 A N6 . . A . 8 A C6 . . A . 8 A C5 . . . 8 . H62 . . . . . 8 . N6 . . . . . 8 . C6 . . . . . 8 . C5 . . rr_1esh 1
11 . . 1 1 11 11 A H62 H . . 1 1 11 11 A N6 N . . 1 1 11 11 A C6 C . . 1 1 11 11 A C5 C . -5.0 5.0 . . . A . 11 A H62 . . A . 11 A N6 . . A . 11 A C6 . . A . 11 A C5 . . . 11 . H62 . . . . . 11 . N6 . . . . . 11 . C6 . . . . . 11 . C5 . . rr_1esh 1
12 . . 1 1 2 2 G C4' C . . 1 1 2 2 G O4' O . . 1 1 2 2 G C1' C . . 1 1 2 2 G C2' C . -5.0 5.0 . . . A . 2 G C4' . . A . 2 G O4' . . A . 2 G C1' . . A . 2 G C2' . . . 2 . C4' . . . . . 2 . O4' . . . . . 2 . C1' . . . . . 2 . C2' . . rr_1esh 1
13 . . 1 1 2 2 G O4' O . . 1 1 2 2 G C1' C . . 1 1 2 2 G C2' C . . 1 1 2 2 G C3' C . -27.0 -17.0 . . . A . 2 G O4' . . A . 2 G C1' . . A . 2 G C2' . . A . 2 G C3' . . . 2 . O4' . . . . . 2 . C1' . . . . . 2 . C2' . . . . . 2 . C3' . . rr_1esh 1
14 . . 1 1 2 2 G C1' C . . 1 1 2 2 G C2' C . . 1 1 2 2 G C3' C . . 1 1 2 2 G C4' C . 31.0 41.0 . . . A . 2 G C1' . . A . 2 G C2' . . A . 2 G C3' . . A . 2 G C4' . . . 2 . C1' . . . . . 2 . C2' . . . . . 2 . C3' . . . . . 2 . C4' . . rr_1esh 1
15 . . 1 1 2 2 G C2' C . . 1 1 2 2 G C3' C . . 1 1 2 2 G C4' C . . 1 1 2 2 G O4' O . -41.0 -31.0 . . . A . 2 G C2' . . A . 2 G C3' . . A . 2 G C4' . . A . 2 G O4' . . . 2 . C2' . . . . . 2 . C3' . . . . . 2 . C4' . . . . . 2 . O4' . . rr_1esh 1
16 . . 1 1 3 3 U C4' C . . 1 1 3 3 U O4' O . . 1 1 3 3 U C1' C . . 1 1 3 3 U C2' C . -5.0 5.0 . . . A . 3 U C4' . . A . 3 U O4' . . A . 3 U C1' . . A . 3 U C2' . . . 3 . C4' . . . . . 3 . O4' . . . . . 3 . C1' . . . . . 3 . C2' . . rr_1esh 1
17 . . 1 1 3 3 U O4' O . . 1 1 3 3 U C1' C . . 1 1 3 3 U C2' C . . 1 1 3 3 U C3' C . -27.0 -17.0 . . . A . 3 U O4' . . A . 3 U C1' . . A . 3 U C2' . . A . 3 U C3' . . . 3 . O4' . . . . . 3 . C1' . . . . . 3 . C2' . . . . . 3 . C3' . . rr_1esh 1
18 . . 1 1 3 3 U C1' C . . 1 1 3 3 U C2' C . . 1 1 3 3 U C3' C . . 1 1 3 3 U C4' C . 31.0 41.0 . . . A . 3 U C1' . . A . 3 U C2' . . A . 3 U C3' . . A . 3 U C4' . . . 3 . C1' . . . . . 3 . C2' . . . . . 3 . C3' . . . . . 3 . C4' . . rr_1esh 1
19 . . 1 1 3 3 U C2' C . . 1 1 3 3 U C3' C . . 1 1 3 3 U C4' C . . 1 1 3 3 U O4' O . -41.0 -31.0 . . . A . 3 U C2' . . A . 3 U C3' . . A . 3 U C4' . . A . 3 U O4' . . . 3 . C2' . . . . . 3 . C3' . . . . . 3 . C4' . . . . . 3 . O4' . . rr_1esh 1
20 . . 1 1 4 4 G C4' C . . 1 1 4 4 G O4' O . . 1 1 4 4 G C1' C . . 1 1 4 4 G C2' C . -5.0 5.0 . . . A . 4 G C4' . . A . 4 G O4' . . A . 4 G C1' . . A . 4 G C2' . . . 4 . C4' . . . . . 4 . O4' . . . . . 4 . C1' . . . . . 4 . C2' . . rr_1esh 1
21 . . 1 1 4 4 G O4' O . . 1 1 4 4 G C1' C . . 1 1 4 4 G C2' C . . 1 1 4 4 G C3' C . -27.0 -17.0 . . . A . 4 G O4' . . A . 4 G C1' . . A . 4 G C2' . . A . 4 G C3' . . . 4 . O4' . . . . . 4 . C1' . . . . . 4 . C2' . . . . . 4 . C3' . . rr_1esh 1
22 . . 1 1 4 4 G C1' C . . 1 1 4 4 G C2' C . . 1 1 4 4 G C3' C . . 1 1 4 4 G C4' C . 31.0 41.0 . . . A . 4 G C1' . . A . 4 G C2' . . A . 4 G C3' . . A . 4 G C4' . . . 4 . C1' . . . . . 4 . C2' . . . . . 4 . C3' . . . . . 4 . C4' . . rr_1esh 1
23 . . 1 1 4 4 G C2' C . . 1 1 4 4 G C3' C . . 1 1 4 4 G C4' C . . 1 1 4 4 G O4' O . -41.0 -31.0 . . . A . 4 G C2' . . A . 4 G C3' . . A . 4 G C4' . . A . 4 G O4' . . . 4 . C2' . . . . . 4 . C3' . . . . . 4 . C4' . . . . . 4 . O4' . . rr_1esh 1
24 . . 1 1 10 10 C C4' C . . 1 1 10 10 C O4' O . . 1 1 10 10 C C1' C . . 1 1 10 10 C C2' C . -5.0 5.0 . . . A . 10 C C4' . . A . 10 C O4' . . A . 10 C C1' . . A . 10 C C2' . . . 10 . C4' . . . . . 10 . O4' . . . . . 10 . C1' . . . . . 10 . C2' . . rr_1esh 1
25 . . 1 1 10 10 C O4' O . . 1 1 10 10 C C1' C . . 1 1 10 10 C C2' C . . 1 1 10 10 C C3' C . -27.0 -17.0 . . . A . 10 C O4' . . A . 10 C C1' . . A . 10 C C2' . . A . 10 C C3' . . . 10 . O4' . . . . . 10 . C1' . . . . . 10 . C2' . . . . . 10 . C3' . . rr_1esh 1
26 . . 1 1 10 10 C C1' C . . 1 1 10 10 C C2' C . . 1 1 10 10 C C3' C . . 1 1 10 10 C C4' C . 31.0 41.0 . . . A . 10 C C1' . . A . 10 C C2' . . A . 10 C C3' . . A . 10 C C4' . . . 10 . C1' . . . . . 10 . C2' . . . . . 10 . C3' . . . . . 10 . C4' . . rr_1esh 1
27 . . 1 1 10 10 C C2' C . . 1 1 10 10 C C3' C . . 1 1 10 10 C C4' C . . 1 1 10 10 C O4' O . -41.0 -31.0 . . . A . 10 C C2' . . A . 10 C C3' . . A . 10 C C4' . . A . 10 C O4' . . . 10 . C2' . . . . . 10 . C3' . . . . . 10 . C4' . . . . . 10 . O4' . . rr_1esh 1
28 . . 1 1 11 11 A C4' C . . 1 1 11 11 A O4' O . . 1 1 11 11 A C1' C . . 1 1 11 11 A C2' C . -5.0 5.0 . . . A . 11 A C4' . . A . 11 A O4' . . A . 11 A C1' . . A . 11 A C2' . . . 11 . C4' . . . . . 11 . O4' . . . . . 11 . C1' . . . . . 11 . C2' . . rr_1esh 1
29 . . 1 1 11 11 A O4' O . . 1 1 11 11 A C1' C . . 1 1 11 11 A C2' C . . 1 1 11 11 A C3' C . -27.0 -17.0 . . . A . 11 A O4' . . A . 11 A C1' . . A . 11 A C2' . . A . 11 A C3' . . . 11 . O4' . . . . . 11 . C1' . . . . . 11 . C2' . . . . . 11 . C3' . . rr_1esh 1
30 . . 1 1 11 11 A C1' C . . 1 1 11 11 A C2' C . . 1 1 11 11 A C3' C . . 1 1 11 11 A C4' C . 31.0 41.0 . . . A . 11 A C1' . . A . 11 A C2' . . A . 11 A C3' . . A . 11 A C4' . . . 11 . C1' . . . . . 11 . C2' . . . . . 11 . C3' . . . . . 11 . C4' . . rr_1esh 1
31 . . 1 1 11 11 A C2' C . . 1 1 11 11 A C3' C . . 1 1 11 11 A C4' C . . 1 1 11 11 A O4' O . -41.0 -31.0 . . . A . 11 A C2' . . A . 11 A C3' . . A . 11 A C4' . . A . 11 A O4' . . . 11 . C2' . . . . . 11 . C3' . . . . . 11 . C4' . . . . . 11 . O4' . . rr_1esh 1
32 . . 1 1 12 12 C C4' C . . 1 1 12 12 C O4' O . . 1 1 12 12 C C1' C . . 1 1 12 12 C C2' C . -5.0 5.0 . . . A . 12 C C4' . . A . 12 C O4' . . A . 12 C C1' . . A . 12 C C2' . . . 12 . C4' . . . . . 12 . O4' . . . . . 12 . C1' . . . . . 12 . C2' . . rr_1esh 1
33 . . 1 1 12 12 C O4' O . . 1 1 12 12 C C1' C . . 1 1 12 12 C C2' C . . 1 1 12 12 C C3' C . -27.0 -17.0 . . . A . 12 C O4' . . A . 12 C C1' . . A . 12 C C2' . . A . 12 C C3' . . . 12 . O4' . . . . . 12 . C1' . . . . . 12 . C2' . . . . . 12 . C3' . . rr_1esh 1
34 . . 1 1 12 12 C C1' C . . 1 1 12 12 C C2' C . . 1 1 12 12 C C3' C . . 1 1 12 12 C C4' C . 31.0 41.0 . . . A . 12 C C1' . . A . 12 C C2' . . A . 12 C C3' . . A . 12 C C4' . . . 12 . C1' . . . . . 12 . C2' . . . . . 12 . C3' . . . . . 12 . C4' . . rr_1esh 1
35 . . 1 1 12 12 C C2' C . . 1 1 12 12 C C3' C . . 1 1 12 12 C C4' C . . 1 1 12 12 C O4' O . -41.0 -31.0 . . . A . 12 C C2' . . A . 12 C C3' . . A . 12 C C4' . . A . 12 C O4' . . . 12 . C2' . . . . . 12 . C3' . . . . . 12 . C4' . . . . . 12 . O4' . . rr_1esh 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 "Keep G amino groups in the plane of the base" 1 1 1 1 rr_1esh 1
2 "Keep C amino groups in the plane of the base" 12 1 12 1 rr_1esh 1
3 "Keep A amino groups in the plane of the base" 23 1 23 1 rr_1esh 1
4 "Make some nucleotides c3'-endo, restrain v0, v1,v2, and v3 instead of delta" 31 1 31 1 rr_1esh 1
stop_
save_
save_CNS/XPLOR_dihedral_6
_Torsion_angle_constraint_list.Sf_category torsion_angle_constraints
_Torsion_angle_constraint_list.Sf_framecode CNS/XPLOR_dihedral_6
_Torsion_angle_constraint_list.Entry_ID rr_1esh
_Torsion_angle_constraint_list.ID 2
_Torsion_angle_constraint_list.Details "Generated by Wattos"
_Torsion_angle_constraint_list.Constraint_file_ID 1
_Torsion_angle_constraint_list.Block_ID 6
loop_
_Torsion_angle_constraint_software.Software_ID
_Torsion_angle_constraint_software.Software_label
_Torsion_angle_constraint_software.Method_ID
_Torsion_angle_constraint_software.Method_label
_Torsion_angle_constraint_software.Entry_ID
_Torsion_angle_constraint_software.Torsion_angle_constraint_list_ID
. . . . rr_1esh 2
stop_
loop_
_Torsion_angle_constraint.ID
_Torsion_angle_constraint.Torsion_angle_name
_Torsion_angle_constraint.Assembly_atom_ID_1
_Torsion_angle_constraint.Entity_assembly_ID_1
_Torsion_angle_constraint.Entity_ID_1
_Torsion_angle_constraint.Comp_index_ID_1
_Torsion_angle_constraint.Seq_ID_1
_Torsion_angle_constraint.Comp_ID_1
_Torsion_angle_constraint.Atom_ID_1
_Torsion_angle_constraint.Atom_type_1
_Torsion_angle_constraint.Resonance_ID_1
_Torsion_angle_constraint.Assembly_atom_ID_2
_Torsion_angle_constraint.Entity_assembly_ID_2
_Torsion_angle_constraint.Entity_ID_2
_Torsion_angle_constraint.Comp_index_ID_2
_Torsion_angle_constraint.Seq_ID_2
_Torsion_angle_constraint.Comp_ID_2
_Torsion_angle_constraint.Atom_ID_2
_Torsion_angle_constraint.Atom_type_2
_Torsion_angle_constraint.Resonance_ID_2
_Torsion_angle_constraint.Assembly_atom_ID_3
_Torsion_angle_constraint.Entity_assembly_ID_3
_Torsion_angle_constraint.Entity_ID_3
_Torsion_angle_constraint.Comp_index_ID_3
_Torsion_angle_constraint.Seq_ID_3
_Torsion_angle_constraint.Comp_ID_3
_Torsion_angle_constraint.Atom_ID_3
_Torsion_angle_constraint.Atom_type_3
_Torsion_angle_constraint.Resonance_ID_3
_Torsion_angle_constraint.Assembly_atom_ID_4
_Torsion_angle_constraint.Entity_assembly_ID_4
_Torsion_angle_constraint.Entity_ID_4
_Torsion_angle_constraint.Comp_index_ID_4
_Torsion_angle_constraint.Seq_ID_4
_Torsion_angle_constraint.Comp_ID_4
_Torsion_angle_constraint.Atom_ID_4
_Torsion_angle_constraint.Atom_type_4
_Torsion_angle_constraint.Resonance_ID_4
_Torsion_angle_constraint.Angle_lower_bound_val
_Torsion_angle_constraint.Angle_upper_bound_val
_Torsion_angle_constraint.Source_experiment_ID
_Torsion_angle_constraint.PDB_record_ID_1
_Torsion_angle_constraint.PDB_model_num_1
_Torsion_angle_constraint.PDB_strand_ID_1
_Torsion_angle_constraint.PDB_ins_code_1
_Torsion_angle_constraint.PDB_residue_no_1
_Torsion_angle_constraint.PDB_residue_name_1
_Torsion_angle_constraint.PDB_atom_name_1
_Torsion_angle_constraint.PDB_record_ID_2
_Torsion_angle_constraint.PDB_model_num_2
_Torsion_angle_constraint.PDB_strand_ID_2
_Torsion_angle_constraint.PDB_ins_code_2
_Torsion_angle_constraint.PDB_residue_no_2
_Torsion_angle_constraint.PDB_residue_name_2
_Torsion_angle_constraint.PDB_atom_name_2
_Torsion_angle_constraint.PDB_record_ID_3
_Torsion_angle_constraint.PDB_model_num_3
_Torsion_angle_constraint.PDB_strand_ID_3
_Torsion_angle_constraint.PDB_ins_code_3
_Torsion_angle_constraint.PDB_residue_no_3
_Torsion_angle_constraint.PDB_residue_name_3
_Torsion_angle_constraint.PDB_atom_name_3
_Torsion_angle_constraint.PDB_record_ID_4
_Torsion_angle_constraint.PDB_model_num_4
_Torsion_angle_constraint.PDB_strand_ID_4
_Torsion_angle_constraint.PDB_ins_code_4
_Torsion_angle_constraint.PDB_residue_no_4
_Torsion_angle_constraint.PDB_residue_name_4
_Torsion_angle_constraint.PDB_atom_name_4
_Torsion_angle_constraint.Auth_entity_assembly_ID_1
_Torsion_angle_constraint.Auth_asym_ID_1
_Torsion_angle_constraint.Auth_chain_ID_1
_Torsion_angle_constraint.Auth_seq_ID_1
_Torsion_angle_constraint.Auth_comp_ID_1
_Torsion_angle_constraint.Auth_atom_ID_1
_Torsion_angle_constraint.Auth_alt_ID_1
_Torsion_angle_constraint.Auth_atom_name_1
_Torsion_angle_constraint.Auth_entity_assembly_ID_2
_Torsion_angle_constraint.Auth_asym_ID_2
_Torsion_angle_constraint.Auth_chain_ID_2
_Torsion_angle_constraint.Auth_seq_ID_2
_Torsion_angle_constraint.Auth_comp_ID_2
_Torsion_angle_constraint.Auth_atom_ID_2
_Torsion_angle_constraint.Auth_alt_ID_2
_Torsion_angle_constraint.Auth_atom_name_2
_Torsion_angle_constraint.Auth_entity_assembly_ID_3
_Torsion_angle_constraint.Auth_asym_ID_3
_Torsion_angle_constraint.Auth_chain_ID_3
_Torsion_angle_constraint.Auth_seq_ID_3
_Torsion_angle_constraint.Auth_comp_ID_3
_Torsion_angle_constraint.Auth_atom_ID_3
_Torsion_angle_constraint.Auth_alt_ID_3
_Torsion_angle_constraint.Auth_atom_name_3
_Torsion_angle_constraint.Auth_entity_assembly_ID_4
_Torsion_angle_constraint.Auth_asym_ID_4
_Torsion_angle_constraint.Auth_chain_ID_4
_Torsion_angle_constraint.Auth_seq_ID_4
_Torsion_angle_constraint.Auth_comp_ID_4
_Torsion_angle_constraint.Auth_atom_ID_4
_Torsion_angle_constraint.Auth_alt_ID_4
_Torsion_angle_constraint.Auth_atom_name_4
_Torsion_angle_constraint.Entry_ID
_Torsion_angle_constraint.Torsion_angle_constraint_list_ID
1 . . 1 1 1 1 G C4' C . . 1 1 1 1 G O4' O . . 1 1 1 1 G C1' C . . 1 1 1 1 G C2' C . -40.0 0.0 . . . A . 1 G C4' . . A . 1 G O4' . . A . 1 G C1' . . A . 1 G C2' . . . 1 . C4' . . . . . 1 . O4' . . . . . 1 . C1' . . . . . 1 . C2' . . rr_1esh 2
2 . . 1 1 1 1 G O4' O . . 1 1 1 1 G C1' C . . 1 1 1 1 G C2' C . . 1 1 1 1 G C3' C . -10.0 40.0 . . . A . 1 G O4' . . A . 1 G C1' . . A . 1 G C2' . . A . 1 G C3' . . . 1 . O4' . . . . . 1 . C1' . . . . . 1 . C2' . . . . . 1 . C3' . . rr_1esh 2
3 . . 1 1 1 1 G C1' C . . 1 1 1 1 G C2' C . . 1 1 1 1 G C3' C . . 1 1 1 1 G C4' C . -35.0 35.0 . . . A . 1 G C1' . . A . 1 G C2' . . A . 1 G C3' . . A . 1 G C4' . . . 1 . C1' . . . . . 1 . C2' . . . . . 1 . C3' . . . . . 1 . C4' . . rr_1esh 2
4 . . 1 1 1 1 G C2' C . . 1 1 1 1 G C3' C . . 1 1 1 1 G C4' C . . 1 1 1 1 G O4' O . -40.0 40.0 . . . A . 1 G C2' . . A . 1 G C3' . . A . 1 G C4' . . A . 1 G O4' . . . 1 . C2' . . . . . 1 . C3' . . . . . 1 . C4' . . . . . 1 . O4' . . rr_1esh 2
5 . . 1 1 5 5 C C4' C . . 1 1 5 5 C O4' O . . 1 1 5 5 C C1' C . . 1 1 5 5 C C2' C . -40.0 0.0 . . . A . 5 C C4' . . A . 5 C O4' . . A . 5 C C1' . . A . 5 C C2' . . . 5 . C4' . . . . . 5 . O4' . . . . . 5 . C1' . . . . . 5 . C2' . . rr_1esh 2
6 . . 1 1 5 5 C O4' O . . 1 1 5 5 C C1' C . . 1 1 5 5 C C2' C . . 1 1 5 5 C C3' C . -10.0 40.0 . . . A . 5 C O4' . . A . 5 C C1' . . A . 5 C C2' . . A . 5 C C3' . . . 5 . O4' . . . . . 5 . C1' . . . . . 5 . C2' . . . . . 5 . C3' . . rr_1esh 2
7 . . 1 1 5 5 C C1' C . . 1 1 5 5 C C2' C . . 1 1 5 5 C C3' C . . 1 1 5 5 C C4' C . -35.0 35.0 . . . A . 5 C C1' . . A . 5 C C2' . . A . 5 C C3' . . A . 5 C C4' . . . 5 . C1' . . . . . 5 . C2' . . . . . 5 . C3' . . . . . 5 . C4' . . rr_1esh 2
8 . . 1 1 5 5 C C2' C . . 1 1 5 5 C C3' C . . 1 1 5 5 C C4' C . . 1 1 5 5 C O4' O . -40.0 40.0 . . . A . 5 C C2' . . A . 5 C C3' . . A . 5 C C4' . . A . 5 C O4' . . . 5 . C2' . . . . . 5 . C3' . . . . . 5 . C4' . . . . . 5 . O4' . . rr_1esh 2
9 . . 1 1 8 8 A C4' C . . 1 1 8 8 A O4' O . . 1 1 8 8 A C1' C . . 1 1 8 8 A C2' C . -40.0 0.0 . . . A . 8 A C4' . . A . 8 A O4' . . A . 8 A C1' . . A . 8 A C2' . . . 8 . C4' . . . . . 8 . O4' . . . . . 8 . C1' . . . . . 8 . C2' . . rr_1esh 2
10 . . 1 1 8 8 A O4' O . . 1 1 8 8 A C1' C . . 1 1 8 8 A C2' C . . 1 1 8 8 A C3' C . -10.0 40.0 . . . A . 8 A O4' . . A . 8 A C1' . . A . 8 A C2' . . A . 8 A C3' . . . 8 . O4' . . . . . 8 . C1' . . . . . 8 . C2' . . . . . 8 . C3' . . rr_1esh 2
11 . . 1 1 8 8 A C1' C . . 1 1 8 8 A C2' C . . 1 1 8 8 A C3' C . . 1 1 8 8 A C4' C . -35.0 35.0 . . . A . 8 A C1' . . A . 8 A C2' . . A . 8 A C3' . . A . 8 A C4' . . . 8 . C1' . . . . . 8 . C2' . . . . . 8 . C3' . . . . . 8 . C4' . . rr_1esh 2
12 . . 1 1 8 8 A C2' C . . 1 1 8 8 A C3' C . . 1 1 8 8 A C4' C . . 1 1 8 8 A O4' O . -40.0 40.0 . . . A . 8 A C2' . . A . 8 A C3' . . A . 8 A C4' . . A . 8 A O4' . . . 8 . C2' . . . . . 8 . C3' . . . . . 8 . C4' . . . . . 8 . O4' . . rr_1esh 2
13 . . 1 1 13 13 C C4' C . . 1 1 13 13 C O4' O . . 1 1 13 13 C C1' C . . 1 1 13 13 C C2' C . -40.0 0.0 . . . A . 13 C C4' . . A . 13 C O4' . . A . 13 C C1' . . A . 13 C C2' . . . 13 . C4' . . . . . 13 . O4' . . . . . 13 . C1' . . . . . 13 . C2' . . rr_1esh 2
14 . . 1 1 13 13 C O4' O . . 1 1 13 13 C C1' C . . 1 1 13 13 C C2' C . . 1 1 13 13 C C3' C . -10.0 40.0 . . . A . 13 C O4' . . A . 13 C C1' . . A . 13 C C2' . . A . 13 C C3' . . . 13 . O4' . . . . . 13 . C1' . . . . . 13 . C2' . . . . . 13 . C3' . . rr_1esh 2
15 . . 1 1 13 13 C C1' C . . 1 1 13 13 C C2' C . . 1 1 13 13 C C3' C . . 1 1 13 13 C C4' C . -35.0 35.0 . . . A . 13 C C1' . . A . 13 C C2' . . A . 13 C C3' . . A . 13 C C4' . . . 13 . C1' . . . . . 13 . C2' . . . . . 13 . C3' . . . . . 13 . C4' . . rr_1esh 2
16 . . 1 1 13 13 C C2' C . . 1 1 13 13 C C3' C . . 1 1 13 13 C C4' C . . 1 1 13 13 C O4' O . -40.0 40.0 . . . A . 13 C C2' . . A . 13 C C3' . . A . 13 C C4' . . A . 13 C O4' . . . 13 . C2' . . . . . 13 . C3' . . . . . 13 . C4' . . . . . 13 . O4' . . rr_1esh 2
stop_
loop_
_TA_constraint_comment_org.ID
_TA_constraint_comment_org.Comment_text
_TA_constraint_comment_org.Comment_begin_line
_TA_constraint_comment_org.Comment_begin_column
_TA_constraint_comment_org.Comment_end_line
_TA_constraint_comment_org.Comment_end_column
_TA_constraint_comment_org.Entry_ID
_TA_constraint_comment_org.Torsion_angle_constraint_list_ID
1 "Sugar puckering between 2'-endo and 3'-endo" 1 1 1 1 rr_1esh 2
stop_
save_
save_CNS/XPLOR_dihedral_8
_Torsion_angle_constraint_list.Sf_category torsion_angle_constraints
_Torsion_angle_constraint_list.Sf_framecode CNS/XPLOR_dihedral_8
_Torsion_angle_constraint_list.Entry_ID rr_1esh
_Torsion_angle_constraint_list.ID 4
_Torsion_angle_constraint_list.Details "Generated by Wattos"
_Torsion_angle_constraint_list.Constraint_file_ID 1
_Torsion_angle_constraint_list.Block_ID 8
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_1esh 3
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 O4' O . . 1 1 1 1 G C1' C . . 1 1 1 1 G N9 N . . 1 1 1 1 G C4 C . -210.0 -110.0 . . . A . 1 G O4' . . A . 1 G C1' . . A . 1 G N9 . . A . 1 G C4 . . . 1 . O4' . . . . . 1 . C1' . . . . . 1 . N9 . . . . . 1 . C4 . . rr_1esh 3
2 . . 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 . -210.0 -110.0 . . . A . 2 G O4' . . A . 2 G C1' . . A . 2 G N9 . . A . 2 G C4 . . . 2 . O4' . . . . . 2 . C1' . . . . . 2 . N9 . . . . . 2 . C4 . . rr_1esh 3
3 . . 1 1 3 3 U O4' O . . 1 1 3 3 U C1' C . . 1 1 3 3 U N1 N . . 1 1 3 3 U C2 C . -210.0 -110.0 . . . A . 3 U O4' . . A . 3 U C1' . . A . 3 U N1 . . A . 3 U C2 . . . 3 . O4' . . . . . 3 . C1' . . . . . 3 . N1 . . . . . 3 . C2 . . rr_1esh 3
4 . . 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 . -210.0 -110.0 . . . A . 4 G O4' . . A . 4 G C1' . . A . 4 G N9 . . A . 4 G C4 . . . 4 . O4' . . . . . 4 . C1' . . . . . 4 . N9 . . . . . 4 . C4 . . rr_1esh 3
5 . . 1 1 5 5 C O4' O . . 1 1 5 5 C C1' C . . 1 1 5 5 C N1 N . . 1 1 5 5 C C2 C . -210.0 -110.0 . . . A . 5 C O4' . . A . 5 C C1' . . A . 5 C N1 . . A . 5 C C2 . . . 5 . O4' . . . . . 5 . C1' . . . . . 5 . N1 . . . . . 5 . C2 . . rr_1esh 3
6 . . 1 1 6 6 A O4' O . . 1 1 6 6 A C1' C . . 1 1 6 6 A N9 N . . 1 1 6 6 A C4 C . -210.0 -110.0 . . . A . 6 A O4' . . A . 6 A C1' . . A . 6 A N9 . . A . 6 A C4 . . . 6 . O4' . . . . . 6 . C1' . . . . . 6 . N9 . . . . . 6 . C4 . . rr_1esh 3
7 . . 1 1 7 7 U O4' O . . 1 1 7 7 U C1' C . . 1 1 7 7 U N1 N . . 1 1 7 7 U C2 C . -210.0 -110.0 . . . A . 7 U O4' . . A . 7 U C1' . . A . 7 U N1 . . A . 7 U C2 . . . 7 . O4' . . . . . 7 . C1' . . . . . 7 . N1 . . . . . 7 . C2 . . rr_1esh 3
8 . . 1 1 9 9 G O4' O . . 1 1 9 9 G C1' C . . 1 1 9 9 G N9 N . . 1 1 9 9 G C4 C . -210.0 -110.0 . . . A . 9 G O4' . . A . 9 G C1' . . A . 9 G N9 . . A . 9 G C4 . . . 9 . O4' . . . . . 9 . C1' . . . . . 9 . N9 . . . . . 9 . C4 . . rr_1esh 3
9 . . 1 1 10 10 C O4' O . . 1 1 10 10 C C1' C . . 1 1 10 10 C N1 N . . 1 1 10 10 C C2 C . -210.0 -110.0 . . . A . 10 C O4' . . A . 10 C C1' . . A . 10 C N1 . . A . 10 C C2 . . . 10 . O4' . . . . . 10 . C1' . . . . . 10 . N1 . . . . . 10 . C2 . . rr_1esh 3
10 . . 1 1 11 11 A O4' O . . 1 1 11 11 A C1' C . . 1 1 11 11 A N9 N . . 1 1 11 11 A C4 C . -210.0 -110.0 . . . A . 11 A O4' . . A . 11 A C1' . . A . 11 A N9 . . A . 11 A C4 . . . 11 . O4' . . . . . 11 . C1' . . . . . 11 . N9 . . . . . 11 . C4 . . rr_1esh 3
11 . . 1 1 12 12 C O4' O . . 1 1 12 12 C C1' C . . 1 1 12 12 C N1 N . . 1 1 12 12 C C2 C . -210.0 -110.0 . . . A . 12 C O4' . . A . 12 C C1' . . A . 12 C N1 . . A . 12 C C2 . . . 12 . O4' . . . . . 12 . C1' . . . . . 12 . N1 . . . . . 12 . C2 . . rr_1esh 3
12 . . 1 1 13 13 C O4' O . . 1 1 13 13 C C1' C . . 1 1 13 13 C N1 N . . 1 1 13 13 C C2 C . -210.0 -110.0 . . . A . 13 C O4' . . A . 13 C C1' . . A . 13 C N1 . . A . 13 C C2 . . . 13 . O4' . . . . . 13 . C1' . . . . . 13 . N1 . . . . . 13 . C2 . . rr_1esh 3
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 "Restriction of nucleotides to anti" 1 1 1 1 rr_1esh 3
stop_
save_
save_CNS/XPLOR_dihedral_9
_Torsion_angle_constraint_list.Sf_category torsion_angle_constraints
_Torsion_angle_constraint_list.Sf_framecode CNS/XPLOR_dihedral_9
_Torsion_angle_constraint_list.Entry_ID rr_1esh
_Torsion_angle_constraint_list.ID 5
_Torsion_angle_constraint_list.Details "Generated by Wattos"
_Torsion_angle_constraint_list.Constraint_file_ID 1
_Torsion_angle_constraint_list.Block_ID 9
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_1esh 4
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 8 8 A O4' O . . 1 1 8 8 A C1' C . . 1 1 8 8 A N9 N . . 1 1 8 8 A C4 C . -10.0 70.0 . . . A . 8 A O4' . . A . 8 A C1' . . A . 8 A N9 . . A . 8 A C4 . . . 8 . O4' . . . . . 8 . C1' . . . . . 8 . N9 . . . . . 8 . C4 . . rr_1esh 4
2 . . 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 . 160.0 200.0 . . . A . 2 G P . . A . 2 G O5' . . A . 2 G C5' . . A . 2 G C4' . . . 2 . P . . . . . 2 . O5' . . . . . 2 . C5' . . . . . 2 . C4' . . rr_1esh 4
3 . . 1 1 3 3 U P P . . 1 1 3 3 U O5' O . . 1 1 3 3 U C5' C . . 1 1 3 3 U C4' C . 160.0 200.0 . . . A . 3 U P . . A . 3 U O5' . . A . 3 U C5' . . A . 3 U C4' . . . 3 . P . . . . . 3 . O5' . . . . . 3 . C5' . . . . . 3 . C4' . . rr_1esh 4
4 . . 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 . 160.0 200.0 . . . A . 4 G P . . A . 4 G O5' . . A . 4 G C5' . . A . 4 G C4' . . . 4 . P . . . . . 4 . O5' . . . . . 4 . C5' . . . . . 4 . C4' . . rr_1esh 4
5 . . 1 1 10 10 C P P . . 1 1 10 10 C O5' O . . 1 1 10 10 C C5' C . . 1 1 10 10 C C4' C . 160.0 200.0 . . . A . 10 C P . . A . 10 C O5' . . A . 10 C C5' . . A . 10 C C4' . . . 10 . P . . . . . 10 . O5' . . . . . 10 . C5' . . . . . 10 . C4' . . rr_1esh 4
6 . . 1 1 11 11 A P P . . 1 1 11 11 A O5' O . . 1 1 11 11 A C5' C . . 1 1 11 11 A C4' C . 160.0 200.0 . . . A . 11 A P . . A . 11 A O5' . . A . 11 A C5' . . A . 11 A C4' . . . 11 . P . . . . . 11 . O5' . . . . . 11 . C5' . . . . . 11 . C4' . . rr_1esh 4
7 . . 1 1 12 12 C P P . . 1 1 12 12 C O5' O . . 1 1 12 12 C C5' C . . 1 1 12 12 C C4' C . 160.0 200.0 . . . A . 12 C P . . A . 12 C O5' . . A . 12 C C5' . . A . 12 C C4' . . . 12 . P . . . . . 12 . O5' . . . . . 12 . C5' . . . . . 12 . C4' . . rr_1esh 4
8 . . 1 1 13 13 C P P . . 1 1 13 13 C O5' O . . 1 1 13 13 C C5' C . . 1 1 13 13 C C4' C . 160.0 200.0 . . . A . 13 C P . . A . 13 C O5' . . A . 13 C C5' . . A . 13 C C4' . . . 13 . P . . . . . 13 . O5' . . . . . 13 . C5' . . . . . 13 . C4' . . rr_1esh 4
9 . . 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 . 25.0 85.0 . . . A . 1 G O5' . . A . 1 G C5' . . A . 1 G C4' . . A . 1 G C3' . . . 1 . O5' . . . . . 1 . C5' . . . . . 1 . C4' . . . . . 1 . C3' . . rr_1esh 4
10 . . 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 . 25.0 85.0 . . . A . 2 G O5' . . A . 2 G C5' . . A . 2 G C4' . . A . 2 G C3' . . . 2 . O5' . . . . . 2 . C5' . . . . . 2 . C4' . . . . . 2 . C3' . . rr_1esh 4
11 . . 1 1 3 3 U O5' O . . 1 1 3 3 U C5' C . . 1 1 3 3 U C4' C . . 1 1 3 3 U C3' C . 25.0 85.0 . . . A . 3 U O5' . . A . 3 U C5' . . A . 3 U C4' . . A . 3 U C3' . . . 3 . O5' . . . . . 3 . C5' . . . . . 3 . C4' . . . . . 3 . C3' . . rr_1esh 4
12 . . 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 . 25.0 85.0 . . . A . 4 G O5' . . A . 4 G C5' . . A . 4 G C4' . . A . 4 G C3' . . . 4 . O5' . . . . . 4 . C5' . . . . . 4 . C4' . . . . . 4 . C3' . . rr_1esh 4
13 . . 1 1 10 10 C O5' O . . 1 1 10 10 C C5' C . . 1 1 10 10 C C4' C . . 1 1 10 10 C C3' C . 25.0 85.0 . . . A . 10 C O5' . . A . 10 C C5' . . A . 10 C C4' . . A . 10 C C3' . . . 10 . O5' . . . . . 10 . C5' . . . . . 10 . C4' . . . . . 10 . C3' . . rr_1esh 4
14 . . 1 1 11 11 A O5' O . . 1 1 11 11 A C5' C . . 1 1 11 11 A C4' C . . 1 1 11 11 A C3' C . 25.0 85.0 . . . A . 11 A O5' . . A . 11 A C5' . . A . 11 A C4' . . A . 11 A C3' . . . 11 . O5' . . . . . 11 . C5' . . . . . 11 . C4' . . . . . 11 . C3' . . rr_1esh 4
15 . . 1 1 12 12 C O5' O . . 1 1 12 12 C C5' C . . 1 1 12 12 C C4' C . . 1 1 12 12 C C3' C . 25.0 85.0 . . . A . 12 C O5' . . A . 12 C C5' . . A . 12 C C4' . . A . 12 C C3' . . . 12 . O5' . . . . . 12 . C5' . . . . . 12 . C4' . . . . . 12 . C3' . . rr_1esh 4
16 . . 1 1 13 13 C O5' O . . 1 1 13 13 C C5' C . . 1 1 13 13 C C4' C . . 1 1 13 13 C C3' C . 25.0 85.0 . . . A . 13 C O5' . . A . 13 C C5' . . A . 13 C C4' . . A . 13 C C3' . . . 13 . O5' . . . . . 13 . C5' . . . . . 13 . C4' . . . . . 13 . C3' . . rr_1esh 4
17 . . 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 . -175.0 -135.0 . . . A . 1 G C4' . . A . 1 G C3' . . A . 1 G O3' . . A . 2 G P . . . 1 . C4' . . . . . 1 . C3' . . . . . 1 . O3' . . . . . 2 . P . . rr_1esh 4
18 . . 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 U P P . -175.0 -135.0 . . . A . 2 G C4' . . A . 2 G C3' . . A . 2 G O3' . . A . 3 U P . . . 2 . C4' . . . . . 2 . C3' . . . . . 2 . O3' . . . . . 3 . P . . rr_1esh 4
19 . . 1 1 3 3 U C4' C . . 1 1 3 3 U C3' C . . 1 1 3 3 U O3' O . . 1 1 4 4 G P P . -175.0 -135.0 . . . A . 3 U C4' . . A . 3 U C3' . . A . 3 U O3' . . A . 4 G P . . . 3 . C4' . . . . . 3 . C3' . . . . . 3 . O3' . . . . . 4 . P . . rr_1esh 4
20 . . 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 C P P . -175.0 -135.0 . . . A . 4 G C4' . . A . 4 G C3' . . A . 4 G O3' . . A . 5 C P . . . 4 . C4' . . . . . 4 . C3' . . . . . 4 . O3' . . . . . 5 . P . . rr_1esh 4
21 . . 1 1 10 10 C C4' C . . 1 1 10 10 C C3' C . . 1 1 10 10 C O3' O . . 1 1 11 11 A P P . -175.0 -135.0 . . . A . 10 C C4' . . A . 10 C C3' . . A . 10 C O3' . . A . 11 A P . . . 10 . C4' . . . . . 10 . C3' . . . . . 10 . O3' . . . . . 11 . P . . rr_1esh 4
22 . . 1 1 11 11 A C4' C . . 1 1 11 11 A C3' C . . 1 1 11 11 A O3' O . . 1 1 12 12 C P P . -175.0 -135.0 . . . A . 11 A C4' . . A . 11 A C3' . . A . 11 A O3' . . A . 12 C P . . . 11 . C4' . . . . . 11 . C3' . . . . . 11 . O3' . . . . . 12 . P . . rr_1esh 4
23 . . 1 1 12 12 C C4' C . . 1 1 12 12 C C3' C . . 1 1 12 12 C O3' O . . 1 1 13 13 C P P . -175.0 -135.0 . . . A . 12 C C4' . . A . 12 C C3' . . A . 12 C O3' . . A . 13 C P . . . 12 . C4' . . . . . 12 . C3' . . . . . 12 . O3' . . . . . 13 . P . . rr_1esh 4
24 . . 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 . -100.0 -40.0 . . . A . 1 G O3' . . A . 2 G P . . A . 2 G O5' . . A . 2 G C5' . . . 1 . O3' . . . . . 2 . P . . . . . 2 . O5' . . . . . 2 . C5' . . rr_1esh 4
25 . . 1 1 2 2 G O3' O . . 1 1 3 3 U P P . . 1 1 3 3 U O5' O . . 1 1 3 3 U C5' C . -100.0 -40.0 . . . A . 2 G O3' . . A . 3 U P . . A . 3 U O5' . . A . 3 U C5' . . . 2 . O3' . . . . . 3 . P . . . . . 3 . O5' . . . . . 3 . C5' . . rr_1esh 4
26 . . 1 1 3 3 U O3' O . . 1 1 4 4 G P P . . 1 1 4 4 G O5' O . . 1 1 4 4 G C5' C . -100.0 -40.0 . . . A . 3 U O3' . . A . 4 G P . . A . 4 G O5' . . A . 4 G C5' . . . 3 . O3' . . . . . 4 . P . . . . . 4 . O5' . . . . . 4 . C5' . . rr_1esh 4
27 . . 1 1 4 4 G O3' O . . 1 1 5 5 C P P . . 1 1 5 5 C O5' O . . 1 1 5 5 C C5' C . -100.0 -40.0 . . . A . 4 G O3' . . A . 5 C P . . A . 5 C O5' . . A . 5 C C5' . . . 4 . O3' . . . . . 5 . P . . . . . 5 . O5' . . . . . 5 . C5' . . rr_1esh 4
28 . . 1 1 10 10 C O3' O . . 1 1 11 11 A P P . . 1 1 11 11 A O5' O . . 1 1 11 11 A C5' C . -100.0 -40.0 . . . A . 10 C O3' . . A . 11 A P . . A . 11 A O5' . . A . 11 A C5' . . . 10 . O3' . . . . . 11 . P . . . . . 11 . O5' . . . . . 11 . C5' . . rr_1esh 4
29 . . 1 1 11 11 A O3' O . . 1 1 12 12 C P P . . 1 1 12 12 C O5' O . . 1 1 12 12 C C5' C . -100.0 -40.0 . . . A . 11 A O3' . . A . 12 C P . . A . 12 C O5' . . A . 12 C C5' . . . 11 . O3' . . . . . 12 . P . . . . . 12 . O5' . . . . . 12 . C5' . . rr_1esh 4
30 . . 1 1 12 12 C O3' O . . 1 1 13 13 C P P . . 1 1 13 13 C O5' O . . 1 1 13 13 C C5' C . -100.0 -40.0 . . . A . 12 C O3' . . A . 13 C P . . A . 13 C O5' . . A . 13 C C5' . . . 12 . O3' . . . . . 13 . P . . . . . 13 . O5' . . . . . 13 . C5' . . rr_1esh 4
31 . . 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 . -100.0 -40.0 . . . A . 1 G C3' . . A . 1 G O3' . . A . 2 G P . . A . 2 G O5' . . . 1 . C3' . . . . . 1 . O3' . . . . . 2 . P . . . . . 2 . O5' . . rr_1esh 4
32 . . 1 1 2 2 G C3' C . . 1 1 2 2 G O3' O . . 1 1 3 3 U P P . . 1 1 3 3 U O5' O . -100.0 -40.0 . . . A . 2 G C3' . . A . 2 G O3' . . A . 3 U P . . A . 3 U O5' . . . 2 . C3' . . . . . 2 . O3' . . . . . 3 . P . . . . . 3 . O5' . . rr_1esh 4
33 . . 1 1 3 3 U C3' C . . 1 1 3 3 U O3' O . . 1 1 4 4 G P P . . 1 1 4 4 G O5' O . -100.0 -40.0 . . . A . 3 U C3' . . A . 3 U O3' . . A . 4 G P . . A . 4 G O5' . . . 3 . C3' . . . . . 3 . O3' . . . . . 4 . P . . . . . 4 . O5' . . rr_1esh 4
34 . . 1 1 4 4 G C3' C . . 1 1 4 4 G O3' O . . 1 1 5 5 C P P . . 1 1 5 5 C O5' O . -100.0 -40.0 . . . A . 4 G C3' . . A . 4 G O3' . . A . 5 C P . . A . 5 C O5' . . . 4 . C3' . . . . . 4 . O3' . . . . . 5 . P . . . . . 5 . O5' . . rr_1esh 4
35 . . 1 1 10 10 C C3' C . . 1 1 10 10 C O3' O . . 1 1 11 11 A P P . . 1 1 11 11 A O5' O . -100.0 -40.0 . . . A . 10 C C3' . . A . 10 C O3' . . A . 11 A P . . A . 11 A O5' . . . 10 . C3' . . . . . 10 . O3' . . . . . 11 . P . . . . . 11 . O5' . . rr_1esh 4
36 . . 1 1 11 11 A C3' C . . 1 1 11 11 A O3' O . . 1 1 12 12 C P P . . 1 1 12 12 C O5' O . -100.0 -40.0 . . . A . 11 A C3' . . A . 11 A O3' . . A . 12 C P . . A . 12 C O5' . . . 11 . C3' . . . . . 11 . O3' . . . . . 12 . P . . . . . 12 . O5' . . rr_1esh 4
37 . . 1 1 12 12 C C3' C . . 1 1 12 12 C O3' O . . 1 1 13 13 C P P . . 1 1 13 13 C O5' O . -100.0 -40.0 . . . A . 12 C C3' . . A . 12 C O3' . . A . 13 C P . . A . 13 C O5' . . . 12 . C3' . . . . . 12 . O3' . . . . . 13 . P . . . . . 13 . O5' . . rr_1esh 4
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 "Restriction of nucleotides to syn" 1 1 1 1 rr_1esh 4
2 "backbone torsion angle beta - standard A form from Kieft" 6 1 6 1 rr_1esh 4
3 "used in refinement only" 7 1 7 1 rr_1esh 4
4 "Restrain all the residues to standard A form except for loop and closing bp" 8 1 8 1 rr_1esh 4
5 "backbone torsion angle gamma - standard A form from Kieft" 27 1 27 1 rr_1esh 4
6 "used in refinement only" 28 1 28 1 rr_1esh 4
7 "Restrain all the residues to standard A form except for loop and closing bp" 29 1 29 1 rr_1esh 4
8 "backbone torsion angle epsilon- standard A form from Kieft" 49 1 49 1 rr_1esh 4
9 "used in refinement only" 50 1 50 1 rr_1esh 4
10 "Restrain all the residues to standard A form except for loop and closing bp" 51 1 51 1 rr_1esh 4
11 "backbone torsion angle alpha- standard A form from Kieft" 69 1 69 1 rr_1esh 4
12 "used in refinement only" 70 1 70 1 rr_1esh 4
13 "Restrain all the stem to standard A form except for loop and closing bp" 71 1 71 1 rr_1esh 4
14 "backbone torsion angle zeta -standard A form from Michael" 90 1 90 1 rr_1esh 4
15 "used in refinement only" 91 1 91 1 rr_1esh 4
16 "Restrain all the stem to standard A form except for loop and closing bp" 92 1 92 1 rr_1esh 4
stop_
save_
save_CNS/XPLOR_dihedral_7
_Torsion_angle_constraint_list.Sf_category torsion_angle_constraints
_Torsion_angle_constraint_list.Sf_framecode CNS/XPLOR_dihedral_7
_Torsion_angle_constraint_list.Entry_ID rr_1esh
_Torsion_angle_constraint_list.ID 3
_Torsion_angle_constraint_list.Details "Generated by Wattos"
_Torsion_angle_constraint_list.Constraint_file_ID 1
_Torsion_angle_constraint_list.Block_ID 7
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_1esh 5
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 6 6 A C4' C . . 1 1 6 6 A O4' O . . 1 1 6 6 A C1' C . . 1 1 6 6 A C2' C . -23.0 -13.0 . . . A . 6 A C4' . . A . 6 A O4' . . A . 6 A C1' . . A . 6 A C2' . . . 6 . C4' . . . . . 6 . O4' . . . . . 6 . C1' . . . . . 6 . C2' . . rr_1esh 5
2 . . 1 1 6 6 A O4' O . . 1 1 6 6 A C1' C . . 1 1 6 6 A C2' C . . 1 1 6 6 A C3' C . 29.0 39.0 . . . A . 6 A O4' . . A . 6 A C1' . . A . 6 A C2' . . A . 6 A C3' . . . 6 . O4' . . . . . 6 . C1' . . . . . 6 . C2' . . . . . 6 . C3' . . rr_1esh 5
3 . . 1 1 6 6 A C1' C . . 1 1 6 6 A C2' C . . 1 1 6 6 A C3' C . . 1 1 6 6 A C4' C . -42.0 -32.0 . . . A . 6 A C1' . . A . 6 A C2' . . A . 6 A C3' . . A . 6 A C4' . . . 6 . C1' . . . . . 6 . C2' . . . . . 6 . C3' . . . . . 6 . C4' . . rr_1esh 5
4 . . 1 1 6 6 A C2' C . . 1 1 6 6 A C3' C . . 1 1 6 6 A C4' C . . 1 1 6 6 A O4' O . 21.0 31.0 . . . A . 6 A C2' . . A . 6 A C3' . . A . 6 A C4' . . A . 6 A O4' . . . 6 . C2' . . . . . 6 . C3' . . . . . 6 . C4' . . . . . 6 . O4' . . rr_1esh 5
5 . . 1 1 7 7 U C4' C . . 1 1 7 7 U O4' O . . 1 1 7 7 U C1' C . . 1 1 7 7 U C2' C . -23.0 -13.0 . . . A . 7 U C4' . . A . 7 U O4' . . A . 7 U C1' . . A . 7 U C2' . . . 7 . C4' . . . . . 7 . O4' . . . . . 7 . C1' . . . . . 7 . C2' . . rr_1esh 5
6 . . 1 1 7 7 U O4' O . . 1 1 7 7 U C1' C . . 1 1 7 7 U C2' C . . 1 1 7 7 U C3' C . 29.0 39.0 . . . A . 7 U O4' . . A . 7 U C1' . . A . 7 U C2' . . A . 7 U C3' . . . 7 . O4' . . . . . 7 . C1' . . . . . 7 . C2' . . . . . 7 . C3' . . rr_1esh 5
7 . . 1 1 7 7 U C1' C . . 1 1 7 7 U C2' C . . 1 1 7 7 U C3' C . . 1 1 7 7 U C4' C . -42.0 -32.0 . . . A . 7 U C1' . . A . 7 U C2' . . A . 7 U C3' . . A . 7 U C4' . . . 7 . C1' . . . . . 7 . C2' . . . . . 7 . C3' . . . . . 7 . C4' . . rr_1esh 5
8 . . 1 1 7 7 U C2' C . . 1 1 7 7 U C3' C . . 1 1 7 7 U C4' C . . 1 1 7 7 U O4' O . 21.0 31.0 . . . A . 7 U C2' . . A . 7 U C3' . . A . 7 U C4' . . A . 7 U O4' . . . 7 . C2' . . . . . 7 . C3' . . . . . 7 . C4' . . . . . 7 . O4' . . rr_1esh 5
9 . . 1 1 9 9 G C4' C . . 1 1 9 9 G O4' O . . 1 1 9 9 G C1' C . . 1 1 9 9 G C2' C . -23.0 -13.0 . . . A . 9 G C4' . . A . 9 G O4' . . A . 9 G C1' . . A . 9 G C2' . . . 9 . C4' . . . . . 9 . O4' . . . . . 9 . C1' . . . . . 9 . C2' . . rr_1esh 5
10 . . 1 1 9 9 G O4' O . . 1 1 9 9 G C1' C . . 1 1 9 9 G C2' C . . 1 1 9 9 G C3' C . 29.0 39.0 . . . A . 9 G O4' . . A . 9 G C1' . . A . 9 G C2' . . A . 9 G C3' . . . 9 . O4' . . . . . 9 . C1' . . . . . 9 . C2' . . . . . 9 . C3' . . rr_1esh 5
11 . . 1 1 9 9 G C1' C . . 1 1 9 9 G C2' C . . 1 1 9 9 G C3' C . . 1 1 9 9 G C4' C . -42.0 -32.0 . . . A . 9 G C1' . . A . 9 G C2' . . A . 9 G C3' . . A . 9 G C4' . . . 9 . C1' . . . . . 9 . C2' . . . . . 9 . C3' . . . . . 9 . C4' . . rr_1esh 5
12 . . 1 1 9 9 G C2' C . . 1 1 9 9 G C3' C . . 1 1 9 9 G C4' C . . 1 1 9 9 G O4' O . 21.0 31.0 . . . A . 9 G C2' . . A . 9 G C3' . . A . 9 G C4' . . A . 9 G O4' . . . 9 . C2' . . . . . 9 . C3' . . . . . 9 . C4' . . . . . 9 . O4' . . rr_1esh 5
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 "sugar puckering of 2'-endo" 1 1 1 1 rr_1esh 5
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_1esh
_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 10-APR-00 1ESH TITLE THE SOLUTION STRUCTURE OF THE STEM LOOP C 5'AUA3' TRILOOP TITLE 2 OF BROME MOSAIC VIRUS (+) STRAND RNA COMPND MOL_ID: 1; COMPND 2 MOLECULE: RNA (5'-R(*GP*GP*UP*GP*CP*AP*UP*AP*GP*CP*AP*CP*C) COMPND 3 -3'); COMPND 4 CHAIN: A; COMPND 5 ENGINEERED: YES SOURCE MOL_ID: 1; SOURCE 2 SYNTHETIC: YES; SOURCE 3 OTHER_DETAILS: SEQUENCE OCCURS NATURALLY IN BROME MOSAIC SOURCE 4 VIRUS EXCEPT FOR THE TERMINAL TWO GC BPS KEYWDS RNA, TRILOOP, STEM-LOOP, BROME MOSAIC VIRUS EXPDTA NMR AUTHOR C.-H.KIM, C.C.KAO, I.TINOCO JR. REVDAT 1 24-APR-00 1ESH 0 slc13.noe{slc13.noe for refinement and minimization}"
save_
save_MR_file_comment_10
_Org_constr_file_comment.Sf_framecode MR_file_comment_10
_Org_constr_file_comment.Sf_category org_constr_file_comment
_Org_constr_file_comment.Entry_ID rr_1esh
_Org_constr_file_comment.ID 3
_Org_constr_file_comment.Constraint_file_ID 1
_Org_constr_file_comment.Block_ID 10
_Org_constr_file_comment.Details "Generated by Wattos"
_Org_constr_file_comment.Comment
;end
end
;
save_
save_MR_file_comment_4
_Org_constr_file_comment.Sf_framecode MR_file_comment_4
_Org_constr_file_comment.Sf_category org_constr_file_comment
_Org_constr_file_comment.Entry_ID rr_1esh
_Org_constr_file_comment.ID 2
_Org_constr_file_comment.Constraint_file_ID 1
_Org_constr_file_comment.Block_ID 4
_Org_constr_file_comment.Details "Generated by Wattos"
_Org_constr_file_comment.Comment
;slc13.dihed {Torsion angle constraints of slc-13 RNA} {used for refinement and minimization } constraints
dihedral
reset
;
save_
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