NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | cing | stage | program | type | subtype | item_count |
|
|
455038 |
8psh   |
cing | 3-converted-DOCR | STAR | entry | full | 110 |
data_DOCR_restraints_with_modified_coordinates_PDB_code_8psh
# This DOCR archive file contains, for PDB entry <8psh>:
#
# - 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_8psh
_Entry.Title "wwPDB remediated NMR restraints for PDB entry 8psh"
_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 8psh"
save_
save_assembly
_Assembly.Sf_category assembly
_Assembly.Sf_framecode assembly
_Assembly.Entry_ID rr_8psh
_Assembly.ID 1
_Assembly.Name 8psh
_Assembly.Number_of_components 2
_Assembly.Organic_ligands 0
_Assembly.Metal_ions 0
_Assembly.Non_standard_bonds no
_Assembly.Paramagnetic no
_Assembly.Thiol_state "not present"
_Assembly.Molecular_mass 5315.67876
loop_
_Entity_assembly.ID
_Entity_assembly.Entity_assembly_name
_Entity_assembly.Entity_ID
_Entity_assembly.Entity_label
_Entity_assembly.Asym_ID
_Entity_assembly.PDB_chain_ID
_Entity_assembly.Experimental_data_reported
_Entity_assembly.Physical_state
_Entity_assembly.Conformational_isomer
_Entity_assembly.Chemical_exchange_state
_Entity_assembly.Magnetic_equivalence_group_code
_Entity_assembly.Role
_Entity_assembly.Details
_Entity_assembly.Entry_ID
_Entity_assembly.Assembly_ID
1 "DNA 5 D DGP SC P GS P PST P SC P AS P GS P GS 3" 1 $DNA__5__D__DGP__SC_P__GS_P__PST_P__SC_P__AS_P__GS_P__GS___3__ A . no . . . . . . rr_8psh 1
2 "RNA 5 R CP CP UP GP AP CP GP C 3" 2 $RNA__5__R__CP_CP_UP_GP_AP_CP_GP_C__3__ B . no . . . . . . rr_8psh 1
stop_
save_
save_DNA__5__D__DGP__SC_P__GS_P__PST_P__SC_P__AS_P__GS_P__GS___3__
_Entity.Sf_category entity
_Entity.Sf_framecode DNA__5__D__DGP__SC_P__GS_P__PST_P__SC_P__AS_P__GS_P__GS___3__
_Entity.Entry_ID rr_8psh
_Entity.ID 1
_Entity.Name DNA__5__D__DGP__SC_P__GS_P__PST_P__SC_P__AS_P__GS_P__GS___3__
_Entity.Type non-polymer
_Entity.Ambiguous_conformational_states no
_Entity.Ambiguous_chem_comp_sites no
_Entity.Nstd_chirality yes
_Entity.Nstd_linkage yes
_Entity.Nonpolymer_comp_ID DG
_Entity.Nonpolymer_comp_label $chem_comp_DG
_Entity.Number_of_monomers 8
_Entity.Paramagnetic no
_Entity.Thiol_state "not present"
_Entity.Parent_entity_ID 1
loop_
_Entity_comp_index.ID
_Entity_comp_index.Auth_seq_ID
_Entity_comp_index.Comp_ID
_Entity_comp_index.Comp_label
_Entity_comp_index.Entry_ID
_Entity_comp_index.Entity_ID
1 . DG . rr_8psh 1
2 . SC . rr_8psh 1
3 . GS . rr_8psh 1
4 . PST . rr_8psh 1
5 . SC . rr_8psh 1
6 . . . rr_8psh 1
7 . GS . rr_8psh 1
8 . GS . rr_8psh 1
stop_
save_
save_RNA__5__R__CP_CP_UP_GP_AP_CP_GP_C__3__
_Entity.Sf_category entity
_Entity.Sf_framecode RNA__5__R__CP_CP_UP_GP_AP_CP_GP_C__3__
_Entity.Entry_ID rr_8psh
_Entity.ID 2
_Entity.Name RNA__5__R__CP_CP_UP_GP_AP_CP_GP_C__3__
_Entity.Type polymer
_Entity.Polymer_type polyribonucleotide
_Entity.Polymer_strand_ID B
_Entity.Polymer_seq_one_letter_code CCUGACGC
_Entity.Ambiguous_conformational_states no
_Entity.Ambiguous_chem_comp_sites no
_Entity.Nstd_monomer no
_Entity.Nstd_chirality yes
_Entity.Nstd_linkage no
_Entity.Number_of_monomers 8
_Entity.Paramagnetic no
_Entity.Thiol_state "not present"
_Entity.Parent_entity_ID 2
_Entity.Formula_weight 2565.54938
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 . C . rr_8psh 2
2 . C . rr_8psh 2
3 . U . rr_8psh 2
4 . G . rr_8psh 2
5 . A . rr_8psh 2
6 . C . rr_8psh 2
7 . G . rr_8psh 2
8 . C . rr_8psh 2
stop_
loop_
_Entity_poly_seq.Hetero
_Entity_poly_seq.Mon_ID
_Entity_poly_seq.Num
_Entity_poly_seq.Comp_index_ID
_Entity_poly_seq.Entry_ID
_Entity_poly_seq.Entity_ID
. C 1 1 rr_8psh 2
. C 2 2 rr_8psh 2
. U 3 3 rr_8psh 2
. G 4 4 rr_8psh 2
. A 5 5 rr_8psh 2
. C 6 6 rr_8psh 2
. G 7 7 rr_8psh 2
. C 8 8 rr_8psh 2
stop_
save_
save_chem_comp_SC
_Chem_comp.Sf_category chem_comp
_Chem_comp.Sf_framecode chem_comp_SC
_Chem_comp.Entry_ID rr_8psh
_Chem_comp.ID SC
_Chem_comp.Name 2-DEOXY-CYTIDINE-5'-THIOPHOSPHORATE
_Chem_comp.Type non-polymer
_Chem_comp.PDB_code SC
_Chem_comp.Formal_charge 0
_Chem_comp.Paramagnetic no
_Chem_comp.Aromatic no
_Chem_comp.Formula "C9 H14 N3 O6 P S"
_Chem_comp.Formula_weight 323.25986
save_
save_chem_comp_GS
_Chem_comp.Sf_category chem_comp
_Chem_comp.Sf_framecode chem_comp_GS
_Chem_comp.Entry_ID rr_8psh
_Chem_comp.ID GS
_Chem_comp.Name GUANOSINE-5'-THIO-MONOPHOSPHATE
_Chem_comp.Type non-polymer
_Chem_comp.PDB_code GS
_Chem_comp.Formal_charge 0
_Chem_comp.Paramagnetic no
_Chem_comp.Aromatic yes
_Chem_comp.Formula "C10 H14 N5 O6 P S"
_Chem_comp.Formula_weight 363.28426
save_
save_chem_comp_PST
_Chem_comp.Sf_category chem_comp
_Chem_comp.Sf_framecode chem_comp_PST
_Chem_comp.Entry_ID rr_8psh
_Chem_comp.ID PST
_Chem_comp.Name 2'-DEOXYTHYMIDINE-5'-THIOPHOSPHATE
_Chem_comp.Type non-polymer
_Chem_comp.PDB_code PST
_Chem_comp.Formal_charge 0
_Chem_comp.Paramagnetic no
_Chem_comp.Aromatic no
_Chem_comp.Formula "C10 H15 N2 O7 P S"
_Chem_comp.Formula_weight 338.27146
save_
save_chem_comp_AS
_Chem_comp.Sf_category chem_comp
_Chem_comp.Sf_framecode chem_comp_AS
_Chem_comp.Entry_ID rr_8psh
_Chem_comp.ID 1
_Chem_comp.Name As
_Chem_comp.Type "DNA linking"
_Chem_comp.Formal_charge 0
_Chem_comp.Paramagnetic no
_Chem_comp.Aromatic no
_Chem_comp.Formula "C10 H11 N5 O4 P S"
_Chem_comp.Formula_weight 328.26176
save_
save_conformer_statistics
_Conformer_stat_list.Sf_category conformer_statistics
_Conformer_stat_list.Sf_framecode conformer_statistics
_Conformer_stat_list.Entry_ID rr_8psh
_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_8psh
_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_8psh 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_8psh 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 DG C1' C -5.411 9.772 -0.150 . . . 1.0 . . . . . . . . . . . . A . 1 DG C1' . . . . . . . . . rr_8psh 1
. 1 . 2 . 1 1 1 DG C2 C -2.235 10.070 -3.184 . . . 1.0 . . . . . . . . . . . . A . 1 DG C2 . . . . . . . . . rr_8psh 1
. 1 . 3 . 1 1 1 DG C2' C -6.129 8.429 -0.060 . . . 1.0 . . . . . . . . . . . . A . 1 DG C2' . . . . . . . . . rr_8psh 1
. 1 . 4 . 1 1 1 DG C3' C -7.435 8.798 0.636 . . . 1.0 . . . . . . . . . . . . A . 1 DG C3' . . . . . . . . . rr_8psh 1
. 1 . 5 . 1 1 1 DG C4 C -3.044 9.703 -1.108 . . . 1.0 . . . . . . . . . . . . A . 1 DG C4 . . . . . . . . . rr_8psh 1
. 1 . 6 . 1 1 1 DG C4' C -6.972 9.921 1.566 . . . 1.0 . . . . . . . . . . . . A . 1 DG C4' . . . . . . . . . rr_8psh 1
. 1 . 7 . 1 1 1 DG C5 C -1.800 9.492 -0.560 . . . 1.0 . . . . . . . . . . . . A . 1 DG C5 . . . . . . . . . rr_8psh 1
. 1 . 8 . 1 1 1 DG C5' C -6.530 9.375 2.930 . . . 1.0 . . . . . . . . . . . . A . 1 DG C5' . . . . . . . . . rr_8psh 1
. 1 . 9 . 1 1 1 DG C6 C -0.641 9.566 -1.387 . . . 1.0 . . . . . . . . . . . . A . 1 DG C6 . . . . . . . . . rr_8psh 1
. 1 . 10 . 1 1 1 DG C8 C -3.180 9.318 1.036 . . . 1.0 . . . . . . . . . . . . A . 1 DG C8 . . . . . . . . . rr_8psh 1
. 1 . 11 . 1 1 1 DG H1 H -0.171 9.946 -3.353 . . . 1.0 . . . . . . . . . . . . A . 1 DG H1 . . . . . . . . . rr_8psh 1
. 1 . 12 . 1 1 1 DG H1' H -5.695 10.269 -1.079 . . . 1.0 . . . . . . . . . . . . A . 1 DG H1' . . . . . . . . . rr_8psh 1
. 1 . 13 . 1 1 1 DG H2' H -5.569 7.740 0.573 . . . 1.0 . . . . . . . . . . . . A . 1 DG H2' . . . . . . . . . rr_8psh 1
. 1 . 14 . 1 1 1 DG H2'' H -6.265 7.988 -1.042 . . . 1.0 . . . . . . . . . . . . A . 1 DG H2'' . . . . . . . . . rr_8psh 1
. 1 . 15 . 1 1 1 DG H21 H -1.556 10.405 -5.081 . . . 1.0 . . . . . . . . . . . . A . 1 DG H21 . . . . . . . . . rr_8psh 1
. 1 . 16 . 1 1 1 DG H22 H -3.292 10.475 -4.876 . . . 1.0 . . . . . . . . . . . . A . 1 DG H22 . . . . . . . . . rr_8psh 1
. 1 . 17 . 1 1 1 DG H3' H -7.837 7.956 1.197 . . . 1.0 . . . . . . . . . . . . A . 1 DG H3' . . . . . . . . . rr_8psh 1
. 1 . 18 . 1 1 1 DG H4' H -7.773 10.646 1.722 . . . 1.0 . . . . . . . . . . . . A . 1 DG H4' . . . . . . . . . rr_8psh 1
. 1 . 19 . 1 1 1 DG H5' H -5.739 8.639 2.798 . . . 1.0 . . . . . . . . . . . . A . 1 DG H5' . . . . . . . . . rr_8psh 1
. 1 . 20 . 1 1 1 DG H5'' H -6.156 10.195 3.543 . . . 1.0 . . . . . . . . . . . . A . 1 DG H5'' . . . . . . . . . rr_8psh 1
. 1 . 21 . 1 1 1 DG H8 H -3.595 9.179 2.022 . . . 1.0 . . . . . . . . . . . . A . 1 DG H8 . . . . . . . . . rr_8psh 1
. 1 . 22 . 1 1 1 DG HO5' H -8.088 9.428 4.098 . . . 1.0 . . . . . . . . . . . . A . 1 DG HO5' . . . . . . . . . rr_8psh 1
. 1 . 23 . 1 1 1 DG N1 N -0.950 9.873 -2.710 . . . 1.0 . . . . . . . . . . . . A . 1 DG N1 . . . . . . . . . rr_8psh 1
. 1 . 24 . 1 1 1 DG N2 N -2.371 10.346 -4.485 . . . 1.0 . . . . . . . . . . . . A . 1 DG N2 . . . . . . . . . rr_8psh 1
. 1 . 25 . 1 1 1 DG N3 N -3.329 9.983 -2.409 . . . 1.0 . . . . . . . . . . . . A . 1 DG N3 . . . . . . . . . rr_8psh 1
. 1 . 26 . 1 1 1 DG N7 N -1.902 9.242 0.802 . . . 1.0 . . . . . . . . . . . . A . 1 DG N7 . . . . . . . . . rr_8psh 1
. 1 . 27 . 1 1 1 DG N9 N -3.943 9.594 -0.071 . . . 1.0 . . . . . . . . . . . . A . 1 DG N9 . . . . . . . . . rr_8psh 1
. 1 . 28 . 1 1 1 DG O3' O -8.411 9.328 -0.245 . . . 1.0 . . . . . . . . . . . . A . 1 DG O3' . . . . . . . . . rr_8psh 1
. 1 . 29 . 1 1 1 DG O4' O -5.871 10.559 0.937 . . . 1.0 . . . . . . . . . . . . A . 1 DG O4' . . . . . . . . . rr_8psh 1
. 1 . 30 . 1 1 1 DG O5' O -7.606 8.759 3.606 . . . 1.0 . . . . . . . . . . . . A . 1 DG O5' . . . . . . . . . rr_8psh 1
. 1 . 31 . 1 1 1 DG O6 O 0.528 9.398 -1.054 . . . 1.0 . . . . . . . . . . . . A . 1 DG O6 . . . . . . . . . rr_8psh 1
. 1 . 32 . 1 1 2 SC C1' C -5.301 7.212 -4.720 . . . 1.0 . . . . . . . . . . . . A . 2 SC C1' . . . . . . . . . rr_8psh 1
. 1 . 33 . 1 1 2 SC C2 C -2.868 7.058 -4.230 . . . 1.0 . . . . . . . . . . . . A . 2 SC C2 . . . . . . . . . rr_8psh 1
. 1 . 34 . 1 1 2 SC C2' C -5.924 5.922 -5.265 . . . 1.0 . . . . . . . . . . . . A . 2 SC C2' . . . . . . . . . rr_8psh 1
. 1 . 35 . 1 1 2 SC C3' C -7.301 5.878 -4.615 . . . 1.0 . . . . . . . . . . . . A . 2 SC C3' . . . . . . . . . rr_8psh 1
. 1 . 36 . 1 1 2 SC C4 C -2.085 6.384 -2.112 . . . 1.0 . . . . . . . . . . . . A . 2 SC C4 . . . . . . . . . rr_8psh 1
. 1 . 37 . 1 1 2 SC C4' C -7.570 7.373 -4.537 . . . 1.0 . . . . . . . . . . . . A . 2 SC C4' . . . . . . . . . rr_8psh 1
. 1 . 38 . 1 1 2 SC C5 C -3.425 6.144 -1.654 . . . 1.0 . . . . . . . . . . . . A . 2 SC C5 . . . . . . . . . rr_8psh 1
. 1 . 39 . 1 1 2 SC C5' C -8.767 7.720 -3.646 . . . 1.0 . . . . . . . . . . . . A . 2 SC C5' . . . . . . . . . rr_8psh 1
. 1 . 40 . 1 1 2 SC C6 C -4.429 6.412 -2.523 . . . 1.0 . . . . . . . . . . . . A . 2 SC C6 . . . . . . . . . rr_8psh 1
. 1 . 41 . 1 1 2 SC H1' H -4.977 7.826 -5.561 . . . 1.0 . . . . . . . . . . . . A . 2 SC H1' . . . . . . . . . rr_8psh 1
. 1 . 42 . 1 1 2 SC H2' H -5.340 5.042 -5.015 . . . 1.0 . . . . . . . . . . . . A . 2 SC H2' . . . . . . . . . rr_8psh 1
. 1 . 43 . 1 1 2 SC H2'' H -6.027 6.009 -6.347 . . . 1.0 . . . . . . . . . . . . A . 2 SC H2'' . . . . . . . . . rr_8psh 1
. 1 . 44 . 1 1 2 SC H3' H -7.246 5.464 -3.608 . . . 1.0 . . . . . . . . . . . . A . 2 SC H3' . . . . . . . . . rr_8psh 1
. 1 . 45 . 1 1 2 SC H4' H -7.764 7.742 -5.545 . . . 1.0 . . . . . . . . . . . . A . 2 SC H4' . . . . . . . . . rr_8psh 1
. 1 . 46 . 1 1 2 SC H5 H -3.657 5.760 -0.672 . . . 1.0 . . . . . . . . . . . . A . 2 SC H5 . . . . . . . . . rr_8psh 1
. 1 . 47 . 1 1 2 SC H5' H -9.221 8.637 -4.022 . . . 1.0 . . . . . . . . . . . . A . 2 SC H5' . . . . . . . . . rr_8psh 1
. 1 . 48 . 1 1 2 SC H5'' H -9.504 6.916 -3.682 . . . 1.0 . . . . . . . . . . . . A . 2 SC H5'' . . . . . . . . . rr_8psh 1
. 1 . 49 . 1 1 2 SC H6 H -5.446 6.223 -2.218 . . . 1.0 . . . . . . . . . . . . A . 2 SC H6 . . . . . . . . . rr_8psh 1
. 1 . 50 . 1 1 2 SC HN41 H -1.209 5.885 -0.339 . . . 1.0 . . . . . . . . . . . . A . 2 SC HN41 . . . . . . . . . rr_8psh 1
. 1 . 51 . 1 1 2 SC HN42 H -0.109 6.372 -1.608 . . . 1.0 . . . . . . . . . . . . A . 2 SC HN42 . . . . . . . . . rr_8psh 1
. 1 . 52 . 1 1 2 SC N1 N -4.182 6.903 -3.783 . . . 1.0 . . . . . . . . . . . . A . 2 SC N1 . . . . . . . . . rr_8psh 1
. 1 . 53 . 1 1 2 SC N3 N -1.846 6.808 -3.362 . . . 1.0 . . . . . . . . . . . . A . 2 SC N3 . . . . . . . . . rr_8psh 1
. 1 . 54 . 1 1 2 SC N4 N -1.051 6.200 -1.285 . . . 1.0 . . . . . . . . . . . . A . 2 SC N4 . . . . . . . . . rr_8psh 1
. 1 . 55 . 1 1 2 SC O2 O -2.629 7.418 -5.379 . . . 1.0 . . . . . . . . . . . . A . 2 SC O2 . . . . . . . . . rr_8psh 1
. 1 . 56 . 1 1 2 SC O3' O -8.276 5.236 -5.418 . . . 1.0 . . . . . . . . . . . . A . 2 SC O3' . . . . . . . . . rr_8psh 1
. 1 . 57 . 1 1 2 SC O4' O -6.348 7.920 -4.073 . . . 1.0 . . . . . . . . . . . . A . 2 SC O4' . . . . . . . . . rr_8psh 1
. 1 . 58 . 1 1 2 SC O5' O -8.344 7.912 -2.315 . . . 1.0 . . . . . . . . . . . . A . 2 SC O5' . . . . . . . . . rr_8psh 1
. 1 . 59 . 1 1 2 SC OP1 O -10.371 9.283 -1.785 . . . 1.0 . . . . . . . . . . . . A . 2 SC OP1 . . . . . . . . . rr_8psh 1
. 1 . 60 . 1 1 2 SC P P -9.361 8.396 -1.165 . . . 1.0 . . . . . . . . . . . . A . 2 SC P . . . . . . . . . rr_8psh 1
. 1 . 61 . 1 1 2 SC S2P S -9.968 6.663 -0.083 . . . 1.0 . . . . . . . . . . . . A . 2 SC S2P . . . . . . . . . rr_8psh 1
. 1 . 62 . 1 1 3 GS C1' C -3.254 3.230 -7.232 . . . 1.0 . . . . . . . . . . . . A . 3 GS C1' . . . . . . . . . rr_8psh 1
. 1 . 63 . 1 1 3 GS C2 C 0.917 3.288 -5.901 . . . 1.0 . . . . . . . . . . . . A . 3 GS C2 . . . . . . . . . rr_8psh 1
. 1 . 64 . 1 1 3 GS C2' C -3.433 1.797 -7.731 . . . 1.0 . . . . . . . . . . . . A . 3 GS C2' . . . . . . . . . rr_8psh 1
. 1 . 65 . 1 1 3 GS C3' C -4.939 1.577 -7.760 . . . 1.0 . . . . . . . . . . . . A . 3 GS C3' . . . . . . . . . rr_8psh 1
. 1 . 66 . 1 1 3 GS C4 C -1.318 3.315 -5.585 . . . 1.0 . . . . . . . . . . . . A . 3 GS C4 . . . . . . . . . rr_8psh 1
. 1 . 67 . 1 1 3 GS C4' C -5.401 3.011 -8.006 . . . 1.0 . . . . . . . . . . . . A . 3 GS C4' . . . . . . . . . rr_8psh 1
. 1 . 68 . 1 1 3 GS C5 C -1.222 3.455 -4.223 . . . 1.0 . . . . . . . . . . . . A . 3 GS C5 . . . . . . . . . rr_8psh 1
. 1 . 69 . 1 1 3 GS C5' C -6.863 3.264 -7.630 . . . 1.0 . . . . . . . . . . . . A . 3 GS C5' . . . . . . . . . rr_8psh 1
. 1 . 70 . 1 1 3 GS C6 C 0.064 3.556 -3.613 . . . 1.0 . . . . . . . . . . . . A . 3 GS C6 . . . . . . . . . rr_8psh 1
. 1 . 71 . 1 1 3 GS C8 C -3.287 3.249 -4.652 . . . 1.0 . . . . . . . . . . . . A . 3 GS C8 . . . . . . . . . rr_8psh 1
. 1 . 72 . 1 1 3 GS H1' H -2.615 3.775 -7.927 . . . 1.0 . . . . . . . . . . . . A . 3 GS H1' . . . . . . . . . rr_8psh 1
. 1 . 73 . 1 1 3 GS H2' H -2.952 1.083 -7.076 . . . 1.0 . . . . . . . . . . . . A . 3 GS H2' . . . . . . . . . rr_8psh 1
. 1 . 74 . 1 1 3 GS H2'' H -3.022 1.724 -8.738 . . . 1.0 . . . . . . . . . . . . A . 3 GS H2'' . . . . . . . . . rr_8psh 1
. 1 . 75 . 1 1 3 GS H3' H -5.295 1.233 -6.788 . . . 1.0 . . . . . . . . . . . . A . 3 GS H3' . . . . . . . . . rr_8psh 1
. 1 . 76 . 1 1 3 GS H4' H -5.251 3.252 -9.060 . . . 1.0 . . . . . . . . . . . . A . 3 GS H4' . . . . . . . . . rr_8psh 1
. 1 . 77 . 1 1 3 GS H5' H -7.142 4.262 -7.970 . . . 1.0 . . . . . . . . . . . . A . 3 GS H5' . . . . . . . . . rr_8psh 1
. 1 . 78 . 1 1 3 GS H5'' H -7.496 2.527 -8.126 . . . 1.0 . . . . . . . . . . . . A . 3 GS H5'' . . . . . . . . . rr_8psh 1
. 1 . 79 . 1 1 3 GS H8 H -4.353 3.140 -4.531 . . . 1.0 . . . . . . . . . . . . A . 3 GS H8 . . . . . . . . . rr_8psh 1
. 1 . 80 . 1 1 3 GS HN1 H 2.040 3.473 -4.168 . . . 1.0 . . . . . . . . . . . . A . 3 GS HN1 . . . . . . . . . rr_8psh 1
. 1 . 81 . 1 1 3 GS HN21 H 1.927 3.057 -7.654 . . . 1.0 . . . . . . . . . . . . A . 3 GS HN21 . . . . . . . . . rr_8psh 1
. 1 . 82 . 1 1 3 GS HN22 H 2.929 3.185 -6.222 . . . 1.0 . . . . . . . . . . . . A . 3 GS HN22 . . . . . . . . . rr_8psh 1
. 1 . 83 . 1 1 3 GS N1 N 1.098 3.444 -4.540 . . . 1.0 . . . . . . . . . . . . A . 3 GS N1 . . . . . . . . . rr_8psh 1
. 1 . 84 . 1 1 3 GS N2 N 2.015 3.174 -6.655 . . . 1.0 . . . . . . . . . . . . A . 3 GS N2 . . . . . . . . . rr_8psh 1
. 1 . 85 . 1 1 3 GS N3 N -0.294 3.233 -6.479 . . . 1.0 . . . . . . . . . . . . A . 3 GS N3 . . . . . . . . . rr_8psh 1
. 1 . 86 . 1 1 3 GS N7 N -2.482 3.393 -3.638 . . . 1.0 . . . . . . . . . . . . A . 3 GS N7 . . . . . . . . . rr_8psh 1
. 1 . 87 . 1 1 3 GS N9 N -2.661 3.263 -5.874 . . . 1.0 . . . . . . . . . . . . A . 3 GS N9 . . . . . . . . . rr_8psh 1
. 1 . 88 . 1 1 3 GS O3' O -5.327 0.719 -8.822 . . . 1.0 . . . . . . . . . . . . A . 3 GS O3' . . . . . . . . . rr_8psh 1
. 1 . 89 . 1 1 3 GS O4' O -4.539 3.822 -7.231 . . . 1.0 . . . . . . . . . . . . A . 3 GS O4' . . . . . . . . . rr_8psh 1
. 1 . 90 . 1 1 3 GS O5' O -7.032 3.169 -6.227 . . . 1.0 . . . . . . . . . . . . A . 3 GS O5' . . . . . . . . . rr_8psh 1
. 1 . 91 . 1 1 3 GS O6 O 0.324 3.708 -2.425 . . . 1.0 . . . . . . . . . . . . A . 3 GS O6 . . . . . . . . . rr_8psh 1
. 1 . 92 . 1 1 3 GS OP1 O -9.521 3.327 -6.441 . . . 1.0 . . . . . . . . . . . . A . 3 GS OP1 . . . . . . . . . rr_8psh 1
. 1 . 93 . 1 1 3 GS P P -8.407 3.626 -5.514 . . . 1.0 . . . . . . . . . . . . A . 3 GS P . . . . . . . . . rr_8psh 1
. 1 . 94 . 1 1 3 GS S2P S -8.410 2.828 -3.539 . . . 1.0 . . . . . . . . . . . . A . 3 GS S2P . . . . . . . . . rr_8psh 1
. 1 . 95 . 1 1 4 PST C1' C 0.066 -0.515 -7.410 . . . 1.0 . . . . . . . . . . . . A . 4 PST C1' . . . . . . . . . rr_8psh 1
. 1 . 96 . 1 1 4 PST C2 C 0.564 0.065 -5.060 . . . 1.0 . . . . . . . . . . . . A . 4 PST C2 . . . . . . . . . rr_8psh 1
. 1 . 97 . 1 1 4 PST C2' C 0.372 -1.977 -7.720 . . . 1.0 . . . . . . . . . . . . A . 4 PST C2' . . . . . . . . . rr_8psh 1
. 1 . 98 . 1 1 4 PST C3' C -0.850 -2.450 -8.494 . . . 1.0 . . . . . . . . . . . . A . 4 PST C3' . . . . . . . . . rr_8psh 1
. 1 . 99 . 1 1 4 PST C4 C -1.244 0.298 -3.386 . . . 1.0 . . . . . . . . . . . . A . 4 PST C4 . . . . . . . . . rr_8psh 1
. 1 . 100 . 1 1 4 PST C4' C -1.210 -1.157 -9.229 . . . 1.0 . . . . . . . . . . . . A . 4 PST C4' . . . . . . . . . rr_8psh 1
. 1 . 101 . 1 1 4 PST C5 C -2.145 -0.242 -4.387 . . . 1.0 . . . . . . . . . . . . A . 4 PST C5 . . . . . . . . . rr_8psh 1
. 1 . 102 . 1 1 4 PST C5' C -2.663 -1.084 -9.717 . . . 1.0 . . . . . . . . . . . . A . 4 PST C5' . . . . . . . . . rr_8psh 1
. 1 . 103 . 1 1 4 PST C5M C -3.619 -0.399 -4.068 . . . 1.0 . . . . . . . . . . . . A . 4 PST C5M . . . . . . . . . rr_8psh 1
. 1 . 104 . 1 1 4 PST C6 C -1.686 -0.563 -5.623 . . . 1.0 . . . . . . . . . . . . A . 4 PST C6 . . . . . . . . . rr_8psh 1
. 1 . 105 . 1 1 4 PST H1' H 0.951 0.087 -7.618 . . . 1.0 . . . . . . . . . . . . A . 4 PST H1' . . . . . . . . . rr_8psh 1
. 1 . 106 . 1 1 4 PST H2' H 0.532 -2.556 -6.817 . . . 1.0 . . . . . . . . . . . . A . 4 PST H2' . . . . . . . . . rr_8psh 1
. 1 . 107 . 1 1 4 PST H2'' H 1.255 -2.026 -8.357 . . . 1.0 . . . . . . . . . . . . A . 4 PST H2'' . . . . . . . . . rr_8psh 1
. 1 . 108 . 1 1 4 PST H3' H -1.652 -2.728 -7.809 . . . 1.0 . . . . . . . . . . . . A . 4 PST H3' . . . . . . . . . rr_8psh 1
. 1 . 109 . 1 1 4 PST H4' H -0.536 -1.040 -10.080 . . . 1.0 . . . . . . . . . . . . A . 4 PST H4' . . . . . . . . . rr_8psh 1
. 1 . 110 . 1 1 4 PST H5' H -2.803 -0.151 -10.264 . . . 1.0 . . . . . . . . . . . . A . 4 PST H5' . . . . . . . . . rr_8psh 1
. 1 . 111 . 1 1 4 PST H5'' H -2.862 -1.921 -10.387 . . . 1.0 . . . . . . . . . . . . A . 4 PST H5'' . . . . . . . . . rr_8psh 1
. 1 . 112 . 1 1 4 PST H6 H -2.377 -0.975 -6.340 . . . 1.0 . . . . . . . . . . . . A . 4 PST H6 . . . . . . . . . rr_8psh 1
. 1 . 113 . 1 1 4 PST H71 H -3.789 -1.357 -3.576 . . . 1.0 . . . . . . . . . . . . A . 4 PST H71 . . . . . . . . . rr_8psh 1
. 1 . 114 . 1 1 4 PST H72 H -4.214 -0.353 -4.980 . . . 1.0 . . . . . . . . . . . . A . 4 PST H72 . . . . . . . . . rr_8psh 1
. 1 . 115 . 1 1 4 PST H73 H -3.945 0.406 -3.409 . . . 1.0 . . . . . . . . . . . . A . 4 PST H73 . . . . . . . . . rr_8psh 1
. 1 . 116 . 1 1 4 PST HN3 H 0.758 0.689 -3.123 . . . 1.0 . . . . . . . . . . . . A . 4 PST HN3 . . . . . . . . . rr_8psh 1
. 1 . 117 . 1 1 4 PST N1 N -0.377 -0.355 -5.996 . . . 1.0 . . . . . . . . . . . . A . 4 PST N1 . . . . . . . . . rr_8psh 1
. 1 . 118 . 1 1 4 PST N3 N 0.076 0.378 -3.801 . . . 1.0 . . . . . . . . . . . . A . 4 PST N3 . . . . . . . . . rr_8psh 1
. 1 . 119 . 1 1 4 PST O2 O 1.763 0.162 -5.310 . . . 1.0 . . . . . . . . . . . . A . 4 PST O2 . . . . . . . . . rr_8psh 1
. 1 . 120 . 1 1 4 PST O3' O -0.515 -3.503 -9.382 . . . 1.0 . . . . . . . . . . . . A . 4 PST O3' . . . . . . . . . rr_8psh 1
. 1 . 121 . 1 1 4 PST O4 O -1.555 0.658 -2.254 . . . 1.0 . . . . . . . . . . . . A . 4 PST O4 . . . . . . . . . rr_8psh 1
. 1 . 122 . 1 1 4 PST O4' O -0.951 -0.109 -8.312 . . . 1.0 . . . . . . . . . . . . A . 4 PST O4' . . . . . . . . . rr_8psh 1
. 1 . 123 . 1 1 4 PST O5' O -3.548 -1.130 -8.611 . . . 1.0 . . . . . . . . . . . . A . 4 PST O5' . . . . . . . . . rr_8psh 1
. 1 . 124 . 1 1 4 PST OP1 O -5.558 -1.438 -10.075 . . . 1.0 . . . . . . . . . . . . A . 4 PST OP1 . . . . . . . . . rr_8psh 1
. 1 . 125 . 1 1 4 PST P P -5.141 -0.892 -8.765 . . . 1.0 . . . . . . . . . . . . A . 4 PST P . . . . . . . . . rr_8psh 1
. 1 . 126 . 1 1 4 PST SP S -6.056 -1.600 -6.976 . . . 1.0 . . . . . . . . . . . . A . 4 PST SP . . . . . . . . . rr_8psh 1
. 1 . 127 . 1 1 5 SC C1' C 3.259 -3.905 -4.835 . . . 1.0 . . . . . . . . . . . . A . 5 SC C1' . . . . . . . . . rr_8psh 1
. 1 . 128 . 1 1 5 SC C2 C 2.507 -3.067 -2.627 . . . 1.0 . . . . . . . . . . . . A . 5 SC C2 . . . . . . . . . rr_8psh 1
. 1 . 129 . 1 1 5 SC C2' C 3.544 -5.396 -4.669 . . . 1.0 . . . . . . . . . . . . A . 5 SC C2' . . . . . . . . . rr_8psh 1
. 1 . 130 . 1 1 5 SC C3' C 2.901 -6.025 -5.895 . . . 1.0 . . . . . . . . . . . . A . 5 SC C3' . . . . . . . . . rr_8psh 1
. 1 . 131 . 1 1 5 SC C4 C 0.239 -2.594 -2.207 . . . 1.0 . . . . . . . . . . . . A . 5 SC C4 . . . . . . . . . rr_8psh 1
. 1 . 132 . 1 1 5 SC C4' C 3.143 -4.907 -6.911 . . . 1.0 . . . . . . . . . . . . A . 5 SC C4' . . . . . . . . . rr_8psh 1
. 1 . 133 . 1 1 5 SC C5 C -0.150 -3.143 -3.474 . . . 1.0 . . . . . . . . . . . . A . 5 SC C5 . . . . . . . . . rr_8psh 1
. 1 . 134 . 1 1 5 SC C5' C 2.257 -4.986 -8.161 . . . 1.0 . . . . . . . . . . . . A . 5 SC C5' . . . . . . . . . rr_8psh 1
. 1 . 135 . 1 1 5 SC C6 C 0.844 -3.584 -4.280 . . . 1.0 . . . . . . . . . . . . A . 5 SC C6 . . . . . . . . . rr_8psh 1
. 1 . 136 . 1 1 5 SC H1' H 4.171 -3.339 -4.642 . . . 1.0 . . . . . . . . . . . . A . 5 SC H1' . . . . . . . . . rr_8psh 1
. 1 . 137 . 1 1 5 SC H2' H 3.123 -5.791 -3.751 . . . 1.0 . . . . . . . . . . . . A . 5 SC H2' . . . . . . . . . rr_8psh 1
. 1 . 138 . 1 1 5 SC H2'' H 4.622 -5.555 -4.691 . . . 1.0 . . . . . . . . . . . . A . 5 SC H2'' . . . . . . . . . rr_8psh 1
. 1 . 139 . 1 1 5 SC H3' H 1.831 -6.155 -5.732 . . . 1.0 . . . . . . . . . . . . A . 5 SC H3' . . . . . . . . . rr_8psh 1
. 1 . 140 . 1 1 5 SC H4' H 4.193 -4.923 -7.210 . . . 1.0 . . . . . . . . . . . . A . 5 SC H4' . . . . . . . . . rr_8psh 1
. 1 . 141 . 1 1 5 SC H5 H -1.177 -3.226 -3.799 . . . 1.0 . . . . . . . . . . . . A . 5 SC H5 . . . . . . . . . rr_8psh 1
. 1 . 142 . 1 1 5 SC H5' H 2.473 -4.134 -8.808 . . . 1.0 . . . . . . . . . . . . A . 5 SC H5' . . . . . . . . . rr_8psh 1
. 1 . 143 . 1 1 5 SC H5'' H 2.488 -5.906 -8.698 . . . 1.0 . . . . . . . . . . . . A . 5 SC H5'' . . . . . . . . . rr_8psh 1
. 1 . 144 . 1 1 5 SC H6 H 0.579 -4.037 -5.222 . . . 1.0 . . . . . . . . . . . . A . 5 SC H6 . . . . . . . . . rr_8psh 1
. 1 . 145 . 1 1 5 SC HN41 H -1.665 -2.124 -1.648 . . . 1.0 . . . . . . . . . . . . A . 5 SC HN41 . . . . . . . . . rr_8psh 1
. 1 . 146 . 1 1 5 SC HN42 H -0.426 -1.759 -0.471 . . . 1.0 . . . . . . . . . . . . A . 5 SC HN42 . . . . . . . . . rr_8psh 1
. 1 . 147 . 1 1 5 SC N1 N 2.165 -3.490 -3.913 . . . 1.0 . . . . . . . . . . . . A . 5 SC N1 . . . . . . . . . rr_8psh 1
. 1 . 148 . 1 1 5 SC N3 N 1.521 -2.597 -1.811 . . . 1.0 . . . . . . . . . . . . A . 5 SC N3 . . . . . . . . . rr_8psh 1
. 1 . 149 . 1 1 5 SC N4 N -0.695 -2.131 -1.371 . . . 1.0 . . . . . . . . . . . . A . 5 SC N4 . . . . . . . . . rr_8psh 1
. 1 . 150 . 1 1 5 SC O2 O 3.667 -3.130 -2.226 . . . 1.0 . . . . . . . . . . . . A . 5 SC O2 . . . . . . . . . rr_8psh 1
. 1 . 151 . 1 1 5 SC O3' O 3.541 -7.242 -6.240 . . . 1.0 . . . . . . . . . . . . A . 5 SC O3' . . . . . . . . . rr_8psh 1
. 1 . 152 . 1 1 5 SC O4' O 2.901 -3.707 -6.196 . . . 1.0 . . . . . . . . . . . . A . 5 SC O4' . . . . . . . . . rr_8psh 1
. 1 . 153 . 1 1 5 SC O5' O 0.889 -4.977 -7.790 . . . 1.0 . . . . . . . . . . . . A . 5 SC O5' . . . . . . . . . rr_8psh 1
. 1 . 154 . 1 1 5 SC OP1 O 0.152 -5.830 -10.032 . . . 1.0 . . . . . . . . . . . . A . 5 SC OP1 . . . . . . . . . rr_8psh 1
. 1 . 155 . 1 1 5 SC P P -0.310 -5.030 -8.875 . . . 1.0 . . . . . . . . . . . . A . 5 SC P . . . . . . . . . rr_8psh 1
. 1 . 156 . 1 1 5 SC S2P S -2.064 -5.600 -7.808 . . . 1.0 . . . . . . . . . . . . A . 5 SC S2P . . . . . . . . . rr_8psh 1
. 1 . 157 . 1 1 6 . C1' C 3.676 -6.769 -0.412 . . . 1.0 . . . . . . . . . . . . A . 6 AS C1' . . . . . . . . . rr_8psh 1
. 1 . 158 . 1 1 6 . C2 C 1.482 -4.855 2.832 . . . 1.0 . . . . . . . . . . . . A . 6 AS C2 . . . . . . . . . rr_8psh 1
. 1 . 159 . 1 1 6 . C2' C 3.477 -8.218 0.011 . . . 1.0 . . . . . . . . . . . . A . 6 AS C2' . . . . . . . . . rr_8psh 1
. 1 . 160 . 1 1 6 . C3' C 4.149 -9.059 -1.066 . . . 1.0 . . . . . . . . . . . . A . 6 AS C3' . . . . . . . . . rr_8psh 1
. 1 . 161 . 1 1 6 . C4 C 1.778 -5.551 0.745 . . . 1.0 . . . . . . . . . . . . A . 6 AS C4 . . . . . . . . . rr_8psh 1
. 1 . 162 . 1 1 6 . C4' C 4.895 -8.016 -1.905 . . . 1.0 . . . . . . . . . . . . A . 6 AS C4' . . . . . . . . . rr_8psh 1
. 1 . 163 . 1 1 6 . C5 C 0.533 -5.127 0.356 . . . 1.0 . . . . . . . . . . . . A . 6 AS C5 . . . . . . . . . rr_8psh 1
. 1 . 164 . 1 1 6 . C5' C 4.916 -8.361 -3.402 . . . 1.0 . . . . . . . . . . . . A . 6 AS C5' . . . . . . . . . rr_8psh 1
. 1 . 165 . 1 1 6 . C6 C -0.250 -4.500 1.345 . . . 1.0 . . . . . . . . . . . . A . 6 AS C6 . . . . . . . . . rr_8psh 1
. 1 . 166 . 1 1 6 . C8 C 1.398 -6.039 -1.345 . . . 1.0 . . . . . . . . . . . . A . 6 AS C8 . . . . . . . . . rr_8psh 1
. 1 . 167 . 1 1 6 . H1' H 4.394 -6.282 0.252 . . . 1.0 . . . . . . . . . . . . A . 6 AS H1' . . . . . . . . . rr_8psh 1
. 1 . 168 . 1 1 6 . H2 H 1.836 -4.732 3.845 . . . 1.0 . . . . . . . . . . . . A . 6 AS H2 . . . . . . . . . rr_8psh 1
. 1 . 169 . 1 1 6 . H2' H 2.422 -8.484 0.035 . . . 1.0 . . . . . . . . . . . . A . 6 AS H2' . . . . . . . . . rr_8psh 1
. 1 . 170 . 1 1 6 . H2'' H 3.926 -8.344 0.992 . . . 1.0 . . . . . . . . . . . . A . 6 AS H2'' . . . . . . . . . rr_8psh 1
. 1 . 171 . 1 1 6 . H3' H 3.379 -9.526 -1.680 . . . 1.0 . . . . . . . . . . . . A . 6 AS H3' . . . . . . . . . rr_8psh 1
. 1 . 172 . 1 1 6 . H4' H 5.912 -7.906 -1.526 . . . 1.0 . . . . . . . . . . . . A . 6 AS H4' . . . . . . . . . rr_8psh 1
. 1 . 173 . 1 1 6 . H5' H 5.521 -7.625 -3.932 . . . 1.0 . . . . . . . . . . . . A . 6 AS H5' . . . . . . . . . rr_8psh 1
. 1 . 174 . 1 1 6 . H5'' H 5.358 -9.349 -3.534 . . . 1.0 . . . . . . . . . . . . A . 6 AS H5'' . . . . . . . . . rr_8psh 1
. 1 . 175 . 1 1 6 . H8 H 1.527 -6.454 -2.332 . . . 1.0 . . . . . . . . . . . . A . 6 AS H8 . . . . . . . . . rr_8psh 1
. 1 . 176 . 1 1 6 . HN61 H -1.879 -4.132 0.186 . . . 1.0 . . . . . . . . . . . . A . 6 AS HN61 . . . . . . . . . rr_8psh 1
. 1 . 177 . 1 1 6 . HN62 H -1.994 -3.566 1.843 . . . 1.0 . . . . . . . . . . . . A . 6 AS HN62 . . . . . . . . . rr_8psh 1
. 1 . 178 . 1 1 6 . N1 N 0.266 -4.376 2.583 . . . 1.0 . . . . . . . . . . . . A . 6 AS N1 . . . . . . . . . rr_8psh 1
. 1 . 179 . 1 1 6 . N3 N 2.318 -5.458 1.992 . . . 1.0 . . . . . . . . . . . . A . 6 AS N3 . . . . . . . . . rr_8psh 1
. 1 . 180 . 1 1 6 . N6 N -1.480 -4.032 1.108 . . . 1.0 . . . . . . . . . . . . A . 6 AS N6 . . . . . . . . . rr_8psh 1
. 1 . 181 . 1 1 6 . N7 N 0.292 -5.461 -0.971 . . . 1.0 . . . . . . . . . . . . A . 6 AS N7 . . . . . . . . . rr_8psh 1
. 1 . 182 . 1 1 6 . N9 N 2.366 -6.090 -0.373 . . . 1.0 . . . . . . . . . . . . A . 6 AS N9 . . . . . . . . . rr_8psh 1
. 1 . 183 . 1 1 6 . O3' O 5.016 -10.036 -0.510 . . . 1.0 . . . . . . . . . . . . A . 6 AS O3' . . . . . . . . . rr_8psh 1
. 1 . 184 . 1 1 6 . O4' O 4.203 -6.795 -1.721 . . . 1.0 . . . . . . . . . . . . A . 6 AS O4' . . . . . . . . . rr_8psh 1
. 1 . 185 . 1 1 6 . O5' O 3.588 -8.348 -3.902 . . . 1.0 . . . . . . . . . . . . A . 6 AS O5' . . . . . . . . . rr_8psh 1
. 1 . 186 . 1 1 6 . OP1 O 4.164 -9.657 -5.964 . . . 1.0 . . . . . . . . . . . . A . 6 AS OP1 . . . . . . . . . rr_8psh 1
. 1 . 187 . 1 1 6 . P P 3.229 -8.628 -5.456 . . . 1.0 . . . . . . . . . . . . A . 6 AS P . . . . . . . . . rr_8psh 1
. 1 . 188 . 1 1 6 . S2P S 1.125 -8.951 -5.538 . . . 1.0 . . . . . . . . . . . . A . 6 AS S2P . . . . . . . . . rr_8psh 1
. 1 . 189 . 1 1 7 GS C1' C 2.327 -8.641 4.433 . . . 1.0 . . . . . . . . . . . . A . 7 GS C1' . . . . . . . . . rr_8psh 1
. 1 . 190 . 1 1 7 GS C2 C -1.061 -6.281 5.916 . . . 1.0 . . . . . . . . . . . . A . 7 GS C2 . . . . . . . . . rr_8psh 1
. 1 . 191 . 1 1 7 GS C2' C 2.137 -10.118 4.750 . . . 1.0 . . . . . . . . . . . . A . 7 GS C2' . . . . . . . . . rr_8psh 1
. 1 . 192 . 1 1 7 GS C3' C 3.567 -10.648 4.790 . . . 1.0 . . . . . . . . . . . . A . 7 GS C3' . . . . . . . . . rr_8psh 1
. 1 . 193 . 1 1 7 GS C4 C 0.109 -7.393 4.344 . . . 1.0 . . . . . . . . . . . . A . 7 GS C4 . . . . . . . . . rr_8psh 1
. 1 . 194 . 1 1 7 GS C4' C 4.342 -9.617 3.952 . . . 1.0 . . . . . . . . . . . . A . 7 GS C4' . . . . . . . . . rr_8psh 1
. 1 . 195 . 1 1 7 GS C5 C -0.845 -7.219 3.369 . . . 1.0 . . . . . . . . . . . . A . 7 GS C5 . . . . . . . . . rr_8psh 1
. 1 . 196 . 1 1 7 GS C5' C 5.018 -10.226 2.716 . . . 1.0 . . . . . . . . . . . . A . 7 GS C5' . . . . . . . . . rr_8psh 1
. 1 . 197 . 1 1 7 GS C6 C -2.036 -6.498 3.672 . . . 1.0 . . . . . . . . . . . . A . 7 GS C6 . . . . . . . . . rr_8psh 1
. 1 . 198 . 1 1 7 GS C8 C 0.692 -8.369 2.485 . . . 1.0 . . . . . . . . . . . . A . 7 GS C8 . . . . . . . . . rr_8psh 1
. 1 . 199 . 1 1 7 GS H1' H 2.565 -8.085 5.342 . . . 1.0 . . . . . . . . . . . . A . 7 GS H1' . . . . . . . . . rr_8psh 1
. 1 . 200 . 1 1 7 GS H2' H 1.605 -10.610 3.935 . . . 1.0 . . . . . . . . . . . . A . 7 GS H2' . . . . . . . . . rr_8psh 1
. 1 . 201 . 1 1 7 GS H2'' H 1.586 -10.250 5.677 . . . 1.0 . . . . . . . . . . . . A . 7 GS H2'' . . . . . . . . . rr_8psh 1
. 1 . 202 . 1 1 7 GS H3' H 3.622 -11.633 4.326 . . . 1.0 . . . . . . . . . . . . A . 7 GS H3' . . . . . . . . . rr_8psh 1
. 1 . 203 . 1 1 7 GS H4' H 5.111 -9.157 4.574 . . . 1.0 . . . . . . . . . . . . A . 7 GS H4' . . . . . . . . . rr_8psh 1
. 1 . 204 . 1 1 7 GS H5' H 5.632 -9.460 2.240 . . . 1.0 . . . . . . . . . . . . A . 7 GS H5' . . . . . . . . . rr_8psh 1
. 1 . 205 . 1 1 7 GS H5'' H 5.663 -11.048 3.030 . . . 1.0 . . . . . . . . . . . . A . 7 GS H5'' . . . . . . . . . rr_8psh 1
. 1 . 206 . 1 1 7 GS H8 H 1.258 -8.967 1.791 . . . 1.0 . . . . . . . . . . . . A . 7 GS H8 . . . . . . . . . rr_8psh 1
. 1 . 207 . 1 1 7 GS HN1 H -2.882 -5.545 5.293 . . . 1.0 . . . . . . . . . . . . A . 7 GS HN1 . . . . . . . . . rr_8psh 1
. 1 . 208 . 1 1 7 GS HN21 H -0.575 -6.001 7.872 . . . 1.0 . . . . . . . . . . . . A . 7 GS HN21 . . . . . . . . . rr_8psh 1
. 1 . 209 . 1 1 7 GS HN22 H -2.137 -5.372 7.393 . . . 1.0 . . . . . . . . . . . . A . 7 GS HN22 . . . . . . . . . rr_8psh 1
. 1 . 210 . 1 1 7 GS N1 N -2.062 -6.053 4.992 . . . 1.0 . . . . . . . . . . . . A . 7 GS N1 . . . . . . . . . rr_8psh 1
. 1 . 211 . 1 1 7 GS N2 N -1.273 -5.842 7.160 . . . 1.0 . . . . . . . . . . . . A . 7 GS N2 . . . . . . . . . rr_8psh 1
. 1 . 212 . 1 1 7 GS N3 N 0.065 -6.953 5.631 . . . 1.0 . . . . . . . . . . . . A . 7 GS N3 . . . . . . . . . rr_8psh 1
. 1 . 213 . 1 1 7 GS N7 N -0.460 -7.842 2.189 . . . 1.0 . . . . . . . . . . . . A . 7 GS N7 . . . . . . . . . rr_8psh 1
. 1 . 214 . 1 1 7 GS N9 N 1.117 -8.124 3.764 . . . 1.0 . . . . . . . . . . . . A . 7 GS N9 . . . . . . . . . rr_8psh 1
. 1 . 215 . 1 1 7 GS O3' O 4.097 -10.678 6.108 . . . 1.0 . . . . . . . . . . . . A . 7 GS O3' . . . . . . . . . rr_8psh 1
. 1 . 216 . 1 1 7 GS O4' O 3.431 -8.607 3.555 . . . 1.0 . . . . . . . . . . . . A . 7 GS O4' . . . . . . . . . rr_8psh 1
. 1 . 217 . 1 1 7 GS O5' O 4.049 -10.699 1.794 . . . 1.0 . . . . . . . . . . . . A . 7 GS O5' . . . . . . . . . rr_8psh 1
. 1 . 218 . 1 1 7 GS O6 O -2.982 -6.256 2.928 . . . 1.0 . . . . . . . . . . . . A . 7 GS O6 . . . . . . . . . rr_8psh 1
. 1 . 219 . 1 1 7 GS OP1 O 5.606 -12.225 0.562 . . . 1.0 . . . . . . . . . . . . A . 7 GS OP1 . . . . . . . . . rr_8psh 1
. 1 . 220 . 1 1 7 GS P P 4.468 -11.304 0.350 . . . 1.0 . . . . . . . . . . . . A . 7 GS P . . . . . . . . . rr_8psh 1
. 1 . 221 . 1 1 7 GS S2P S 2.677 -12.016 -0.559 . . . 1.0 . . . . . . . . . . . . A . 7 GS S2P . . . . . . . . . rr_8psh 1
. 1 . 222 . 1 1 8 GS C1' C -1.131 -9.281 8.371 . . . 1.0 . . . . . . . . . . . . A . 8 GS C1' . . . . . . . . . rr_8psh 1
. 1 . 223 . 1 1 8 GS C2 C -5.003 -7.512 7.297 . . . 1.0 . . . . . . . . . . . . A . 8 GS C2 . . . . . . . . . rr_8psh 1
. 1 . 224 . 1 1 8 GS C2' C -1.246 -10.597 9.141 . . . 1.0 . . . . . . . . . . . . A . 8 GS C2' . . . . . . . . . rr_8psh 1
. 1 . 225 . 1 1 8 GS C3' C 0.125 -10.748 9.801 . . . 1.0 . . . . . . . . . . . . A . 8 GS C3' . . . . . . . . . rr_8psh 1
. 1 . 226 . 1 1 8 GS C4 C -3.126 -8.698 6.898 . . . 1.0 . . . . . . . . . . . . A . 8 GS C4 . . . . . . . . . rr_8psh 1
. 1 . 227 . 1 1 8 GS C4' C 0.956 -9.609 9.193 . . . 1.0 . . . . . . . . . . . . A . 8 GS C4' . . . . . . . . . rr_8psh 1
. 1 . 228 . 1 1 8 GS C5 C -3.439 -8.934 5.580 . . . 1.0 . . . . . . . . . . . . A . 8 GS C5 . . . . . . . . . rr_8psh 1
. 1 . 229 . 1 1 8 GS C5' C 2.371 -10.032 8.786 . . . 1.0 . . . . . . . . . . . . A . 8 GS C5' . . . . . . . . . rr_8psh 1
. 1 . 230 . 1 1 8 GS C6 C -4.642 -8.397 5.034 . . . 1.0 . . . . . . . . . . . . A . 8 GS C6 . . . . . . . . . rr_8psh 1
. 1 . 231 . 1 1 8 GS C8 C -1.592 -9.909 5.927 . . . 1.0 . . . . . . . . . . . . A . 8 GS C8 . . . . . . . . . rr_8psh 1
. 1 . 232 . 1 1 8 GS H1' H -1.430 -8.450 9.012 . . . 1.0 . . . . . . . . . . . . A . 8 GS H1' . . . . . . . . . rr_8psh 1
. 1 . 233 . 1 1 8 GS H2' H -1.400 -11.426 8.448 . . . 1.0 . . . . . . . . . . . . A . 8 GS H2' . . . . . . . . . rr_8psh 1
. 1 . 234 . 1 1 8 GS H2'' H -2.062 -10.563 9.864 . . . 1.0 . . . . . . . . . . . . A . 8 GS H2'' . . . . . . . . . rr_8psh 1
. 1 . 235 . 1 1 8 GS H3' H 0.538 -11.728 9.561 . . . 1.0 . . . . . . . . . . . . A . 8 GS H3' . . . . . . . . . rr_8psh 1
. 1 . 236 . 1 1 8 GS H4' H 1.016 -8.785 9.905 . . . 1.0 . . . . . . . . . . . . A . 8 GS H4' . . . . . . . . . rr_8psh 1
. 1 . 237 . 1 1 8 GS H5' H 2.876 -9.185 8.320 . . . 1.0 . . . . . . . . . . . . A . 8 GS H5' . . . . . . . . . rr_8psh 1
. 1 . 238 . 1 1 8 GS H5'' H 2.919 -10.330 9.681 . . . 1.0 . . . . . . . . . . . . A . 8 GS H5'' . . . . . . . . . rr_8psh 1
. 1 . 239 . 1 1 8 GS H8 H -0.697 -10.493 5.786 . . . 1.0 . . . . . . . . . . . . A . 8 GS H8 . . . . . . . . . rr_8psh 1
. 1 . 240 . 1 1 8 GS HN1 H -6.242 -7.265 5.660 . . . 1.0 . . . . . . . . . . . . A . 8 GS HN1 . . . . . . . . . rr_8psh 1
. 1 . 241 . 1 1 8 GS HN21 H -5.616 -6.698 9.058 . . . 1.0 . . . . . . . . . . . . A . 8 GS HN21 . . . . . . . . . rr_8psh 1
. 1 . 242 . 1 1 8 GS HN22 H -6.723 -6.491 7.718 . . . 1.0 . . . . . . . . . . . . A . 8 GS HN22 . . . . . . . . . rr_8psh 1
. 1 . 243 . 1 1 8 GS HO3' H -0.342 -11.410 11.567 . . . 1.0 . . . . . . . . . . . . A . 8 GS HO3' . . . . . . . . . rr_8psh 1
. 1 . 244 . 1 1 8 GS N1 N -5.378 -7.685 5.978 . . . 1.0 . . . . . . . . . . . . A . 8 GS N1 . . . . . . . . . rr_8psh 1
. 1 . 245 . 1 1 8 GS N2 N -5.851 -6.845 8.087 . . . 1.0 . . . . . . . . . . . . A . 8 GS N2 . . . . . . . . . rr_8psh 1
. 1 . 246 . 1 1 8 GS N3 N -3.860 -7.999 7.806 . . . 1.0 . . . . . . . . . . . . A . 8 GS N3 . . . . . . . . . rr_8psh 1
. 1 . 247 . 1 1 8 GS N7 N -2.457 -9.710 4.975 . . . 1.0 . . . . . . . . . . . . A . 8 GS N7 . . . . . . . . . rr_8psh 1
. 1 . 248 . 1 1 8 GS N9 N -1.914 -9.309 7.118 . . . 1.0 . . . . . . . . . . . . A . 8 GS N9 . . . . . . . . . rr_8psh 1
. 1 . 249 . 1 1 8 GS O3' O 0.038 -10.607 11.203 . . . 1.0 . . . . . . . . . . . . A . 8 GS O3' . . . . . . . . . rr_8psh 1
. 1 . 250 . 1 1 8 GS O4' O 0.240 -9.155 8.065 . . . 1.0 . . . . . . . . . . . . A . 8 GS O4' . . . . . . . . . rr_8psh 1
. 1 . 251 . 1 1 8 GS O5' O 2.309 -11.116 7.877 . . . 1.0 . . . . . . . . . . . . A . 8 GS O5' . . . . . . . . . rr_8psh 1
. 1 . 252 . 1 1 8 GS O6 O -5.062 -8.497 3.885 . . . 1.0 . . . . . . . . . . . . A . 8 GS O6 . . . . . . . . . rr_8psh 1
. 1 . 253 . 1 1 8 GS OP1 O 4.683 -11.797 8.272 . . . 1.0 . . . . . . . . . . . . A . 8 GS OP1 . . . . . . . . . rr_8psh 1
. 1 . 254 . 1 1 8 GS P P 3.637 -11.761 7.225 . . . 1.0 . . . . . . . . . . . . A . 8 GS P . . . . . . . . . rr_8psh 1
. 1 . 255 . 1 1 8 GS S2P S 3.030 -13.562 6.260 . . . 1.0 . . . . . . . . . . . . A . 8 GS S2P . . . . . . . . . rr_8psh 1
. 1 . 256 . 2 2 1 C C1' C -10.394 -3.991 6.338 . . . 1.0 . . . . . . . . . . . . B . 9 C C1' . . . . . . . . . rr_8psh 1
. 1 . 257 . 2 2 1 C C2 C -8.393 -5.386 5.908 . . . 1.0 . . . . . . . . . . . . B . 9 C C2 . . . . . . . . . rr_8psh 1
. 1 . 258 . 2 2 1 C C2' C -9.892 -2.903 7.298 . . . 1.0 . . . . . . . . . . . . B . 9 C C2' . . . . . . . . . rr_8psh 1
. 1 . 259 . 2 2 1 C C3' C -10.247 -1.631 6.536 . . . 1.0 . . . . . . . . . . . . B . 9 C C3' . . . . . . . . . rr_8psh 1
. 1 . 260 . 2 2 1 C C4 C -7.478 -5.602 3.745 . . . 1.0 . . . . . . . . . . . . B . 9 C C4 . . . . . . . . . rr_8psh 1
. 1 . 261 . 2 2 1 C C4' C -11.589 -2.050 5.941 . . . 1.0 . . . . . . . . . . . . B . 9 C C4' . . . . . . . . . rr_8psh 1
. 1 . 262 . 2 2 1 C C5 C -8.381 -4.618 3.225 . . . 1.0 . . . . . . . . . . . . B . 9 C C5 . . . . . . . . . rr_8psh 1
. 1 . 263 . 2 2 1 C C5' C -12.021 -1.197 4.741 . . . 1.0 . . . . . . . . . . . . B . 9 C C5' . . . . . . . . . rr_8psh 1
. 1 . 264 . 2 2 1 C C6 C -9.276 -4.088 4.090 . . . 1.0 . . . . . . . . . . . . B . 9 C C6 . . . . . . . . . rr_8psh 1
. 1 . 265 . 2 2 1 C H1' H -10.775 -4.843 6.905 . . . 1.0 . . . . . . . . . . . . B . 9 C H1' . . . . . . . . . rr_8psh 1
. 1 . 266 . 2 2 1 C H2' H -8.829 -2.988 7.508 . . . 1.0 . . . . . . . . . . . . B . 9 C H2' . . . . . . . . . rr_8psh 1
. 1 . 267 . 2 2 1 C H3' H -9.513 -1.471 5.745 . . . 1.0 . . . . . . . . . . . . B . 9 C H3' . . . . . . . . . rr_8psh 1
. 1 . 268 . 2 2 1 C H4' H -12.355 -1.970 6.714 . . . 1.0 . . . . . . . . . . . . B . 9 C H4' . . . . . . . . . rr_8psh 1
. 1 . 269 . 2 2 1 C H41 H -5.976 -6.902 3.280 . . . 1.0 . . . . . . . . . . . . B . 9 C H41 . . . . . . . . . rr_8psh 1
. 1 . 270 . 2 2 1 C H42 H -6.591 -5.961 1.943 . . . 1.0 . . . . . . . . . . . . B . 9 C H42 . . . . . . . . . rr_8psh 1
. 1 . 271 . 2 2 1 C H5 H -8.387 -4.302 2.192 . . . 1.0 . . . . . . . . . . . . B . 9 C H5 . . . . . . . . . rr_8psh 1
. 1 . 272 . 2 2 1 C H5' H -12.920 -1.623 4.297 . . . 1.0 . . . . . . . . . . . . B . 9 C H5' . . . . . . . . . rr_8psh 1
. 1 . 273 . 2 2 1 C H5'' H -12.237 -0.185 5.083 . . . 1.0 . . . . . . . . . . . . B . 9 C H5'' . . . . . . . . . rr_8psh 1
. 1 . 274 . 2 2 1 C H6 H -9.978 -3.372 3.699 . . . 1.0 . . . . . . . . . . . . B . 9 C H6 . . . . . . . . . rr_8psh 1
. 1 . 275 . 2 2 1 C HO2' H -10.416 -3.804 8.942 . . . 1.0 . . . . . . . . . . . . B . 9 C HO2' . . . . . . . . . rr_8psh 1
. 1 . 276 . 2 2 1 C HO5' H -11.319 -0.574 3.036 . . . 1.0 . . . . . . . . . . . . B . 9 C HO5' . . . . . . . . . rr_8psh 1
. 1 . 277 . 2 2 1 C N1 N -9.318 -4.463 5.415 . . . 1.0 . . . . . . . . . . . . B . 9 C N1 . . . . . . . . . rr_8psh 1
. 1 . 278 . 2 2 1 C N3 N -7.496 -5.941 5.043 . . . 1.0 . . . . . . . . . . . . B . 9 C N3 . . . . . . . . . rr_8psh 1
. 1 . 279 . 2 2 1 C N4 N -6.609 -6.200 2.924 . . . 1.0 . . . . . . . . . . . . B . 9 C N4 . . . . . . . . . rr_8psh 1
. 1 . 280 . 2 2 1 C O2 O -8.386 -5.697 7.098 . . . 1.0 . . . . . . . . . . . . B . 9 C O2 . . . . . . . . . rr_8psh 1
. 1 . 281 . 2 2 1 C O2' O -10.614 -2.969 8.512 . . . 1.0 . . . . . . . . . . . . B . 9 C O2' . . . . . . . . . rr_8psh 1
. 1 . 282 . 2 2 1 C O3' O -10.408 -0.493 7.367 . . . 1.0 . . . . . . . . . . . . B . 9 C O3' . . . . . . . . . rr_8psh 1
. 1 . 283 . 2 2 1 C O4' O -11.475 -3.423 5.610 . . . 1.0 . . . . . . . . . . . . B . 9 C O4' . . . . . . . . . rr_8psh 1
. 1 . 284 . 2 2 1 C O5' O -11.009 -1.125 3.759 . . . 1.0 . . . . . . . . . . . . B . 9 C O5' . . . . . . . . . rr_8psh 1
. 1 . 285 . 2 2 2 C C1' C -5.692 -3.082 9.315 . . . 1.0 . . . . . . . . . . . . B . 10 C C1' . . . . . . . . . rr_8psh 1
. 1 . 286 . 2 2 2 C C2 C -4.353 -4.142 7.527 . . . 1.0 . . . . . . . . . . . . B . 10 C C2 . . . . . . . . . rr_8psh 1
. 1 . 287 . 2 2 2 C C2' C -4.748 -2.016 9.879 . . . 1.0 . . . . . . . . . . . . B . 10 C C2' . . . . . . . . . rr_8psh 1
. 1 . 288 . 2 2 2 C C3' C -5.605 -0.762 9.766 . . . 1.0 . . . . . . . . . . . . B . 10 C C3' . . . . . . . . . rr_8psh 1
. 1 . 289 . 2 2 2 C C4 C -4.851 -3.813 5.248 . . . 1.0 . . . . . . . . . . . . B . 10 C C4 . . . . . . . . . rr_8psh 1
. 1 . 290 . 2 2 2 C C4' C -6.961 -1.345 10.162 . . . 1.0 . . . . . . . . . . . . B . 10 C C4' . . . . . . . . . rr_8psh 1
. 1 . 291 . 2 2 2 C C5 C -5.886 -2.876 5.569 . . . 1.0 . . . . . . . . . . . . B . 10 C C5 . . . . . . . . . rr_8psh 1
. 1 . 292 . 2 2 2 C C5' C -8.150 -0.470 9.752 . . . 1.0 . . . . . . . . . . . . B . 10 C C5' . . . . . . . . . rr_8psh 1
. 1 . 293 . 2 2 2 C C6 C -6.121 -2.653 6.881 . . . 1.0 . . . . . . . . . . . . B . 10 C C6 . . . . . . . . . rr_8psh 1
. 1 . 294 . 2 2 2 C H1' H -5.573 -4.022 9.857 . . . 1.0 . . . . . . . . . . . . B . 10 C H1' . . . . . . . . . rr_8psh 1
. 1 . 295 . 2 2 2 C H2' H -3.826 -1.935 9.309 . . . 1.0 . . . . . . . . . . . . B . 10 C H2' . . . . . . . . . rr_8psh 1
. 1 . 296 . 2 2 2 C H3' H -5.625 -0.433 8.727 . . . 1.0 . . . . . . . . . . . . B . 10 C H3' . . . . . . . . . rr_8psh 1
. 1 . 297 . 2 2 2 C H4' H -6.986 -1.496 11.242 . . . 1.0 . . . . . . . . . . . . B . 10 C H4' . . . . . . . . . rr_8psh 1
. 1 . 298 . 2 2 2 C H41 H -3.867 -4.748 3.726 . . . 1.0 . . . . . . . . . . . . B . 10 C H41 . . . . . . . . . rr_8psh 1
. 1 . 299 . 2 2 2 C H42 H -5.126 -3.644 3.238 . . . 1.0 . . . . . . . . . . . . B . 10 C H42 . . . . . . . . . rr_8psh 1
. 1 . 300 . 2 2 2 C H5 H -6.469 -2.355 4.825 . . . 1.0 . . . . . . . . . . . . B . 10 C H5 . . . . . . . . . rr_8psh 1
. 1 . 301 . 2 2 2 C H5' H -9.079 -0.984 10.002 . . . 1.0 . . . . . . . . . . . . B . 10 C H5' . . . . . . . . . rr_8psh 1
. 1 . 302 . 2 2 2 C H5'' H -8.101 0.473 10.298 . . . 1.0 . . . . . . . . . . . . B . 10 C H5'' . . . . . . . . . rr_8psh 1
. 1 . 303 . 2 2 2 C H6 H -6.883 -1.941 7.135 . . . 1.0 . . . . . . . . . . . . B . 10 C H6 . . . . . . . . . rr_8psh 1
. 1 . 304 . 2 2 2 C HO2' H -3.989 -3.142 11.274 . . . 1.0 . . . . . . . . . . . . B . 10 C HO2' . . . . . . . . . rr_8psh 1
. 1 . 305 . 2 2 2 C N1 N -5.409 -3.295 7.866 . . . 1.0 . . . . . . . . . . . . B . 10 C N1 . . . . . . . . . rr_8psh 1
. 1 . 306 . 2 2 2 C N3 N -4.115 -4.394 6.208 . . . 1.0 . . . . . . . . . . . . B . 10 C N3 . . . . . . . . . rr_8psh 1
. 1 . 307 . 2 2 2 C N4 N -4.589 -4.086 3.968 . . . 1.0 . . . . . . . . . . . . B . 10 C N4 . . . . . . . . . rr_8psh 1
. 1 . 308 . 2 2 2 C O2 O -3.647 -4.649 8.396 . . . 1.0 . . . . . . . . . . . . B . 10 C O2 . . . . . . . . . rr_8psh 1
. 1 . 309 . 2 2 2 C O2' O -4.465 -2.309 11.233 . . . 1.0 . . . . . . . . . . . . B . 10 C O2' . . . . . . . . . rr_8psh 1
. 1 . 310 . 2 2 2 C O3' O -5.180 0.280 10.626 . . . 1.0 . . . . . . . . . . . . B . 10 C O3' . . . . . . . . . rr_8psh 1
. 1 . 311 . 2 2 2 C O4' O -7.018 -2.615 9.533 . . . 1.0 . . . . . . . . . . . . B . 10 C O4' . . . . . . . . . rr_8psh 1
. 1 . 312 . 2 2 2 C O5' O -8.088 -0.217 8.363 . . . 1.0 . . . . . . . . . . . . B . 10 C O5' . . . . . . . . . rr_8psh 1
. 1 . 313 . 2 2 2 C OP1 O -9.751 1.652 8.481 . . . 1.0 . . . . . . . . . . . . B . 10 C OP1 . . . . . . . . . rr_8psh 1
. 1 . 314 . 2 2 2 C OP2 O -8.703 0.966 6.250 . . . 1.0 . . . . . . . . . . . . B . 10 C OP2 . . . . . . . . . rr_8psh 1
. 1 . 315 . 2 2 2 C P P -9.236 0.596 7.581 . . . 1.0 . . . . . . . . . . . . B . 10 C P . . . . . . . . . rr_8psh 1
. 1 . 316 . 2 2 3 U C1' C -0.322 -2.322 8.535 . . . 1.0 . . . . . . . . . . . . B . 11 U C1' . . . . . . . . . rr_8psh 1
. 1 . 317 . 2 2 3 U C2 C -0.204 -3.003 6.165 . . . 1.0 . . . . . . . . . . . . B . 11 U C2 . . . . . . . . . rr_8psh 1
. 1 . 318 . 2 2 3 U C2' C 0.821 -1.312 8.671 . . . 1.0 . . . . . . . . . . . . B . 11 U C2' . . . . . . . . . rr_8psh 1
. 1 . 319 . 2 2 3 U C3' C 0.109 -0.115 9.290 . . . 1.0 . . . . . . . . . . . . B . 11 U C3' . . . . . . . . . rr_8psh 1
. 1 . 320 . 2 2 3 U C4 C -1.845 -2.216 4.493 . . . 1.0 . . . . . . . . . . . . B . 11 U C4 . . . . . . . . . rr_8psh 1
. 1 . 321 . 2 2 3 U C4' C -0.792 -0.868 10.264 . . . 1.0 . . . . . . . . . . . . B . 11 U C4' . . . . . . . . . rr_8psh 1
. 1 . 322 . 2 2 3 U C5 C -2.433 -1.424 5.553 . . . 1.0 . . . . . . . . . . . . B . 11 U C5 . . . . . . . . . rr_8psh 1
. 1 . 323 . 2 2 3 U C5' C -1.913 -0.011 10.856 . . . 1.0 . . . . . . . . . . . . B . 11 U C5' . . . . . . . . . rr_8psh 1
. 1 . 324 . 2 2 3 U C6 C -1.948 -1.478 6.817 . . . 1.0 . . . . . . . . . . . . B . 11 U C6 . . . . . . . . . rr_8psh 1
. 1 . 325 . 2 2 3 U H1' H 0.035 -3.330 8.755 . . . 1.0 . . . . . . . . . . . . B . 11 U H1' . . . . . . . . . rr_8psh 1
. 1 . 326 . 2 2 3 U H2' H 1.262 -1.070 7.713 . . . 1.0 . . . . . . . . . . . . B . 11 U H2' . . . . . . . . . rr_8psh 1
. 1 . 327 . 2 2 3 U H3 H -0.304 -3.526 4.180 . . . 1.0 . . . . . . . . . . . . B . 11 U H3 . . . . . . . . . rr_8psh 1
. 1 . 328 . 2 2 3 U H3' H -0.501 0.385 8.536 . . . 1.0 . . . . . . . . . . . . B . 11 U H3' . . . . . . . . . rr_8psh 1
. 1 . 329 . 2 2 3 U H4' H -0.185 -1.255 11.084 . . . 1.0 . . . . . . . . . . . . B . 11 U H4' . . . . . . . . . rr_8psh 1
. 1 . 330 . 2 2 3 U H5 H -3.272 -0.781 5.328 . . . 1.0 . . . . . . . . . . . . B . 11 U H5 . . . . . . . . . rr_8psh 1
. 1 . 331 . 2 2 3 U H5' H -2.486 -0.613 11.561 . . . 1.0 . . . . . . . . . . . . B . 11 U H5' . . . . . . . . . rr_8psh 1
. 1 . 332 . 2 2 3 U H5'' H -1.465 0.827 11.391 . . . 1.0 . . . . . . . . . . . . B . 11 U H5'' . . . . . . . . . rr_8psh 1
. 1 . 333 . 2 2 3 U H6 H -2.419 -0.864 7.567 . . . 1.0 . . . . . . . . . . . . B . 11 U H6 . . . . . . . . . rr_8psh 1
. 1 . 334 . 2 2 3 U HO2' H 2.240 -2.565 9.117 . . . 1.0 . . . . . . . . . . . . B . 11 U HO2' . . . . . . . . . rr_8psh 1
. 1 . 335 . 2 2 3 U N1 N -0.874 -2.275 7.149 . . . 1.0 . . . . . . . . . . . . B . 11 U N1 . . . . . . . . . rr_8psh 1
. 1 . 336 . 2 2 3 U N3 N -0.754 -2.970 4.893 . . . 1.0 . . . . . . . . . . . . B . 11 U N3 . . . . . . . . . rr_8psh 1
. 1 . 337 . 2 2 3 U O2 O 0.824 -3.640 6.387 . . . 1.0 . . . . . . . . . . . . B . 11 U O2 . . . . . . . . . rr_8psh 1
. 1 . 338 . 2 2 3 U O2' O 1.809 -1.821 9.545 . . . 1.0 . . . . . . . . . . . . B . 11 U O2' . . . . . . . . . rr_8psh 1
. 1 . 339 . 2 2 3 U O3' O 0.983 0.799 9.930 . . . 1.0 . . . . . . . . . . . . B . 11 U O3' . . . . . . . . . rr_8psh 1
. 1 . 340 . 2 2 3 U O4 O -2.237 -2.255 3.329 . . . 1.0 . . . . . . . . . . . . B . 11 U O4 . . . . . . . . . rr_8psh 1
. 1 . 341 . 2 2 3 U O4' O -1.289 -1.968 9.517 . . . 1.0 . . . . . . . . . . . . B . 11 U O4' . . . . . . . . . rr_8psh 1
. 1 . 342 . 2 2 3 U O5' O -2.758 0.480 9.834 . . . 1.0 . . . . . . . . . . . . B . 11 U O5' . . . . . . . . . rr_8psh 1
. 1 . 343 . 2 2 3 U OP1 O -3.766 2.226 11.326 . . . 1.0 . . . . . . . . . . . . B . 11 U OP1 . . . . . . . . . rr_8psh 1
. 1 . 344 . 2 2 3 U OP2 O -4.533 1.976 8.900 . . . 1.0 . . . . . . . . . . . . B . 11 U OP2 . . . . . . . . . rr_8psh 1
. 1 . 345 . 2 2 3 U P P -4.070 1.362 10.164 . . . 1.0 . . . . . . . . . . . . B . 11 U P . . . . . . . . . rr_8psh 1
. 1 . 346 . 2 2 4 G C1' C 3.944 -1.607 5.757 . . . 1.0 . . . . . . . . . . . . B . 12 G C1' . . . . . . . . . rr_8psh 1
. 1 . 347 . 2 2 4 G C2 C 3.234 -2.509 1.539 . . . 1.0 . . . . . . . . . . . . B . 12 G C2 . . . . . . . . . rr_8psh 1
. 1 . 348 . 2 2 4 G C2' C 5.238 -0.864 5.425 . . . 1.0 . . . . . . . . . . . . B . 12 G C2' . . . . . . . . . rr_8psh 1
. 1 . 349 . 2 2 4 G C3' C 5.125 0.357 6.334 . . . 1.0 . . . . . . . . . . . . B . 12 G C3' . . . . . . . . . rr_8psh 1
. 1 . 350 . 2 2 4 G C4 C 2.717 -1.582 3.532 . . . 1.0 . . . . . . . . . . . . B . 12 G C4 . . . . . . . . . rr_8psh 1
. 1 . 351 . 2 2 4 G C4' C 4.588 -0.339 7.583 . . . 1.0 . . . . . . . . . . . . B . 12 G C4' . . . . . . . . . rr_8psh 1
. 1 . 352 . 2 2 4 G C5 C 1.523 -1.065 3.090 . . . 1.0 . . . . . . . . . . . . B . 12 G C5 . . . . . . . . . rr_8psh 1
. 1 . 353 . 2 2 4 G C5' C 3.968 0.593 8.628 . . . 1.0 . . . . . . . . . . . . B . 12 G C5' . . . . . . . . . rr_8psh 1
. 1 . 354 . 2 2 4 G C6 C 1.095 -1.323 1.754 . . . 1.0 . . . . . . . . . . . . B . 12 G C6 . . . . . . . . . rr_8psh 1
. 1 . 355 . 2 2 4 G C8 C 1.779 -0.358 5.070 . . . 1.0 . . . . . . . . . . . . B . 12 G C8 . . . . . . . . . rr_8psh 1
. 1 . 356 . 2 2 4 G H1 H 1.811 -2.252 0.061 . . . 1.0 . . . . . . . . . . . . B . 12 G H1 . . . . . . . . . rr_8psh 1
. 1 . 357 . 2 2 4 G H1' H 4.082 -2.684 5.654 . . . 1.0 . . . . . . . . . . . . B . 12 G H1' . . . . . . . . . rr_8psh 1
. 1 . 358 . 2 2 4 G H2' H 5.313 -0.608 4.373 . . . 1.0 . . . . . . . . . . . . B . 12 G H2' . . . . . . . . . rr_8psh 1
. 1 . 359 . 2 2 4 G H21 H 3.784 -3.291 -0.269 . . . 1.0 . . . . . . . . . . . . B . 12 G H21 . . . . . . . . . rr_8psh 1
. 1 . 360 . 2 2 4 G H22 H 4.920 -3.530 1.042 . . . 1.0 . . . . . . . . . . . . B . 12 G H22 . . . . . . . . . rr_8psh 1
. 1 . 361 . 2 2 4 G H3' H 4.379 1.056 5.950 . . . 1.0 . . . . . . . . . . . . B . 12 G H3' . . . . . . . . . rr_8psh 1
. 1 . 362 . 2 2 4 G H4' H 5.410 -0.877 8.060 . . . 1.0 . . . . . . . . . . . . B . 12 G H4' . . . . . . . . . rr_8psh 1
. 1 . 363 . 2 2 4 G H5' H 3.758 0.011 9.526 . . . 1.0 . . . . . . . . . . . . B . 12 G H5' . . . . . . . . . rr_8psh 1
. 1 . 364 . 2 2 4 G H5'' H 4.677 1.383 8.878 . . . 1.0 . . . . . . . . . . . . B . 12 G H5'' . . . . . . . . . rr_8psh 1
. 1 . 365 . 2 2 4 G H8 H 1.618 0.181 5.988 . . . 1.0 . . . . . . . . . . . . B . 12 G H8 . . . . . . . . . rr_8psh 1
. 1 . 366 . 2 2 4 G HO2' H 6.274 -2.510 5.347 . . . 1.0 . . . . . . . . . . . . B . 12 G HO2' . . . . . . . . . rr_8psh 1
. 1 . 367 . 2 2 4 G N1 N 2.033 -2.053 1.028 . . . 1.0 . . . . . . . . . . . . B . 12 G N1 . . . . . . . . . rr_8psh 1
. 1 . 368 . 2 2 4 G N2 N 4.041 -3.168 0.702 . . . 1.0 . . . . . . . . . . . . B . 12 G N2 . . . . . . . . . rr_8psh 1
. 1 . 369 . 2 2 4 G N3 N 3.611 -2.317 2.814 . . . 1.0 . . . . . . . . . . . . B . 12 G N3 . . . . . . . . . rr_8psh 1
. 1 . 370 . 2 2 4 G N7 N 0.945 -0.273 4.074 . . . 1.0 . . . . . . . . . . . . B . 12 G N7 . . . . . . . . . rr_8psh 1
. 1 . 371 . 2 2 4 G N9 N 2.851 -1.187 4.843 . . . 1.0 . . . . . . . . . . . . B . 12 G N9 . . . . . . . . . rr_8psh 1
. 1 . 372 . 2 2 4 G O2' O 6.334 -1.671 5.809 . . . 1.0 . . . . . . . . . . . . B . 12 G O2' . . . . . . . . . rr_8psh 1
. 1 . 373 . 2 2 4 G O3' O 6.375 0.986 6.556 . . . 1.0 . . . . . . . . . . . . B . 12 G O3' . . . . . . . . . rr_8psh 1
. 1 . 374 . 2 2 4 G O4' O 3.649 -1.293 7.111 . . . 1.0 . . . . . . . . . . . . B . 12 G O4' . . . . . . . . . rr_8psh 1
. 1 . 375 . 2 2 4 G O5' O 2.769 1.161 8.139 . . . 1.0 . . . . . . . . . . . . B . 12 G O5' . . . . . . . . . rr_8psh 1
. 1 . 376 . 2 2 4 G O6 O 0.049 -0.973 1.216 . . . 1.0 . . . . . . . . . . . . B . 12 G O6 . . . . . . . . . rr_8psh 1
. 1 . 377 . 2 2 4 G OP1 O 2.563 2.740 10.075 . . . 1.0 . . . . . . . . . . . . B . 12 G OP1 . . . . . . . . . rr_8psh 1
. 1 . 378 . 2 2 4 G OP2 O 0.766 2.658 8.258 . . . 1.0 . . . . . . . . . . . . B . 12 G OP2 . . . . . . . . . rr_8psh 1
. 1 . 379 . 2 2 4 G P P 1.756 1.961 9.109 . . . 1.0 . . . . . . . . . . . . B . 12 G P . . . . . . . . . rr_8psh 1
. 1 . 380 . 2 2 5 A C1' C 6.381 -0.623 0.870 . . . 1.0 . . . . . . . . . . . . B . 13 A C1' . . . . . . . . . rr_8psh 1
. 1 . 381 . 2 2 5 A C2 C 3.594 0.008 -2.421 . . . 1.0 . . . . . . . . . . . . B . 13 A C2 . . . . . . . . . rr_8psh 1
. 1 . 382 . 2 2 5 A C2' C 7.504 0.158 0.183 . . . 1.0 . . . . . . . . . . . . B . 13 A C2' . . . . . . . . . rr_8psh 1
. 1 . 383 . 2 2 5 A C3' C 8.090 0.929 1.359 . . . 1.0 . . . . . . . . . . . . B . 13 A C3' . . . . . . . . . rr_8psh 1
. 1 . 384 . 2 2 5 A C4 C 4.302 0.213 -0.328 . . . 1.0 . . . . . . . . . . . . B . 13 A C4 . . . . . . . . . rr_8psh 1
. 1 . 385 . 2 2 5 A C4' C 8.012 -0.154 2.431 . . . 1.0 . . . . . . . . . . . . B . 13 A C4' . . . . . . . . . rr_8psh 1
. 1 . 386 . 2 2 5 A C5 C 3.128 0.798 0.079 . . . 1.0 . . . . . . . . . . . . B . 13 A C5 . . . . . . . . . rr_8psh 1
. 1 . 387 . 2 2 5 A C5' C 8.155 0.405 3.850 . . . 1.0 . . . . . . . . . . . . B . 13 A C5' . . . . . . . . . rr_8psh 1
. 1 . 388 . 2 2 5 A C6 C 2.118 0.920 -0.896 . . . 1.0 . . . . . . . . . . . . B . 13 A C6 . . . . . . . . . rr_8psh 1
. 1 . 389 . 2 2 5 A C8 C 4.382 0.744 1.783 . . . 1.0 . . . . . . . . . . . . B . 13 A C8 . . . . . . . . . rr_8psh 1
. 1 . 390 . 2 2 5 A H1' H 6.257 -1.596 0.393 . . . 1.0 . . . . . . . . . . . . B . 13 A H1' . . . . . . . . . rr_8psh 1
. 1 . 391 . 2 2 5 A H2 H 3.759 -0.292 -3.445 . . . 1.0 . . . . . . . . . . . . B . 13 A H2 . . . . . . . . . rr_8psh 1
. 1 . 392 . 2 2 5 A H2' H 7.135 0.806 -0.605 . . . 1.0 . . . . . . . . . . . . B . 13 A H2' . . . . . . . . . rr_8psh 1
. 1 . 393 . 2 2 5 A H3' H 7.428 1.756 1.620 . . . 1.0 . . . . . . . . . . . . B . 13 A H3' . . . . . . . . . rr_8psh 1
. 1 . 394 . 2 2 5 A H4' H 8.805 -0.883 2.259 . . . 1.0 . . . . . . . . . . . . B . 13 A H4' . . . . . . . . . rr_8psh 1
. 1 . 395 . 2 2 5 A H5' H 8.143 -0.416 4.564 . . . 1.0 . . . . . . . . . . . . B . 13 A H5' . . . . . . . . . rr_8psh 1
. 1 . 396 . 2 2 5 A H5'' H 9.115 0.919 3.924 . . . 1.0 . . . . . . . . . . . . B . 13 A H5'' . . . . . . . . . rr_8psh 1
. 1 . 397 . 2 2 5 A H61 H 0.197 1.474 -1.351 . . . 1.0 . . . . . . . . . . . . B . 13 A H61 . . . . . . . . . rr_8psh 1
. 1 . 398 . 2 2 5 A H62 H 0.672 1.672 0.321 . . . 1.0 . . . . . . . . . . . . B . 13 A H62 . . . . . . . . . rr_8psh 1
. 1 . 399 . 2 2 5 A H8 H 4.744 0.869 2.790 . . . 1.0 . . . . . . . . . . . . B . 13 A H8 . . . . . . . . . rr_8psh 1
. 1 . 400 . 2 2 5 A HO2' H 8.036 -1.240 -1.059 . . . 1.0 . . . . . . . . . . . . B . 13 A HO2' . . . . . . . . . rr_8psh 1
. 1 . 401 . 2 2 5 A N1 N 2.399 0.527 -2.152 . . . 1.0 . . . . . . . . . . . . B . 13 A N1 . . . . . . . . . rr_8psh 1
. 1 . 402 . 2 2 5 A N3 N 4.606 -0.209 -1.585 . . . 1.0 . . . . . . . . . . . . B . 13 A N3 . . . . . . . . . rr_8psh 1
. 1 . 403 . 2 2 5 A N6 N 0.898 1.401 -0.626 . . . 1.0 . . . . . . . . . . . . B . 13 A N6 . . . . . . . . . rr_8psh 1
. 1 . 404 . 2 2 5 A N7 N 3.200 1.153 1.419 . . . 1.0 . . . . . . . . . . . . B . 13 A N7 . . . . . . . . . rr_8psh 1
. 1 . 405 . 2 2 5 A N9 N 5.095 0.114 0.790 . . . 1.0 . . . . . . . . . . . . B . 13 A N9 . . . . . . . . . rr_8psh 1
. 1 . 406 . 2 2 5 A O2' O 8.452 -0.745 -0.349 . . . 1.0 . . . . . . . . . . . . B . 13 A O2' . . . . . . . . . rr_8psh 1
. 1 . 407 . 2 2 5 A O3' O 9.426 1.355 1.152 . . . 1.0 . . . . . . . . . . . . B . 13 A O3' . . . . . . . . . rr_8psh 1
. 1 . 408 . 2 2 5 A O4' O 6.767 -0.800 2.226 . . . 1.0 . . . . . . . . . . . . B . 13 A O4' . . . . . . . . . rr_8psh 1
. 1 . 409 . 2 2 5 A O5' O 7.104 1.313 4.119 . . . 1.0 . . . . . . . . . . . . B . 13 A O5' . . . . . . . . . rr_8psh 1
. 1 . 410 . 2 2 5 A OP1 O 8.338 2.437 5.990 . . . 1.0 . . . . . . . . . . . . B . 13 A OP1 . . . . . . . . . rr_8psh 1
. 1 . 411 . 2 2 5 A OP2 O 5.964 3.154 5.368 . . . 1.0 . . . . . . . . . . . . B . 13 A OP2 . . . . . . . . . rr_8psh 1
. 1 . 412 . 2 2 5 A P P 6.975 2.086 5.531 . . . 1.0 . . . . . . . . . . . . B . 13 A P . . . . . . . . . rr_8psh 1
. 1 . 413 . 2 2 6 C C1' C 6.723 2.151 -3.838 . . . 1.0 . . . . . . . . . . . . B . 14 C C1' . . . . . . . . . rr_8psh 1
. 1 . 414 . 2 2 6 C C2 C 4.425 3.055 -3.568 . . . 1.0 . . . . . . . . . . . . B . 14 C C2 . . . . . . . . . rr_8psh 1
. 1 . 415 . 2 2 6 C C2' C 7.472 3.205 -4.657 . . . 1.0 . . . . . . . . . . . . B . 14 C C2' . . . . . . . . . rr_8psh 1
. 1 . 416 . 2 2 6 C C3' C 8.645 3.537 -3.742 . . . 1.0 . . . . . . . . . . . . B . 14 C C3' . . . . . . . . . rr_8psh 1
. 1 . 417 . 2 2 6 C C4 C 3.627 3.793 -1.474 . . . 1.0 . . . . . . . . . . . . B . 14 C C4 . . . . . . . . . rr_8psh 1
. 1 . 418 . 2 2 6 C C4' C 8.965 2.126 -3.249 . . . 1.0 . . . . . . . . . . . . B . 14 C C4' . . . . . . . . . rr_8psh 1
. 1 . 419 . 2 2 6 C C5 C 4.907 3.576 -0.869 . . . 1.0 . . . . . . . . . . . . B . 14 C C5 . . . . . . . . . rr_8psh 1
. 1 . 420 . 2 2 6 C C5' C 9.831 2.083 -1.984 . . . 1.0 . . . . . . . . . . . . B . 14 C C5' . . . . . . . . . rr_8psh 1
. 1 . 421 . 2 2 6 C C6 C 5.881 3.081 -1.663 . . . 1.0 . . . . . . . . . . . . B . 14 C C6 . . . . . . . . . rr_8psh 1
. 1 . 422 . 2 2 6 C H1' H 6.263 1.414 -4.500 . . . 1.0 . . . . . . . . . . . . B . 14 C H1' . . . . . . . . . rr_8psh 1
. 1 . 423 . 2 2 6 C H2' H 6.854 4.068 -4.869 . . . 1.0 . . . . . . . . . . . . B . 14 C H2' . . . . . . . . . rr_8psh 1
. 1 . 424 . 2 2 6 C H3' H 8.303 4.158 -2.913 . . . 1.0 . . . . . . . . . . . . B . 14 C H3' . . . . . . . . . rr_8psh 1
. 1 . 425 . 2 2 6 C H4' H 9.490 1.589 -4.041 . . . 1.0 . . . . . . . . . . . . B . 14 C H4' . . . . . . . . . rr_8psh 1
. 1 . 426 . 2 2 6 C H41 H 1.705 4.374 -1.159 . . . 1.0 . . . . . . . . . . . . B . 14 C H41 . . . . . . . . . rr_8psh 1
. 1 . 427 . 2 2 6 C H42 H 2.739 4.406 0.257 . . . 1.0 . . . . . . . . . . . . B . 14 C H42 . . . . . . . . . rr_8psh 1
. 1 . 428 . 2 2 6 C H5 H 5.119 3.778 0.172 . . . 1.0 . . . . . . . . . . . . B . 14 C H5 . . . . . . . . . rr_8psh 1
. 1 . 429 . 2 2 6 C H5' H 9.980 1.043 -1.694 . . . 1.0 . . . . . . . . . . . . B . 14 C H5' . . . . . . . . . rr_8psh 1
. 1 . 430 . 2 2 6 C H5'' H 10.799 2.537 -2.199 . . . 1.0 . . . . . . . . . . . . B . 14 C H5'' . . . . . . . . . rr_8psh 1
. 1 . 431 . 2 2 6 C H6 H 6.843 2.922 -1.219 . . . 1.0 . . . . . . . . . . . . B . 14 C H6 . . . . . . . . . rr_8psh 1
. 1 . 432 . 2 2 6 C HO2' H 7.174 2.346 -6.380 . . . 1.0 . . . . . . . . . . . . B . 14 C HO2' . . . . . . . . . rr_8psh 1
. 1 . 433 . 2 2 6 C N1 N 5.668 2.785 -2.989 . . . 1.0 . . . . . . . . . . . . B . 14 C N1 . . . . . . . . . rr_8psh 1
. 1 . 434 . 2 2 6 C N3 N 3.426 3.537 -2.776 . . . 1.0 . . . . . . . . . . . . B . 14 C N3 . . . . . . . . . rr_8psh 1
. 1 . 435 . 2 2 6 C N4 N 2.609 4.229 -0.728 . . . 1.0 . . . . . . . . . . . . B . 14 C N4 . . . . . . . . . rr_8psh 1
. 1 . 436 . 2 2 6 C O2 O 4.229 2.867 -4.768 . . . 1.0 . . . . . . . . . . . . B . 14 C O2 . . . . . . . . . rr_8psh 1
. 1 . 437 . 2 2 6 C O2' O 7.933 2.628 -5.864 . . . 1.0 . . . . . . . . . . . . B . 14 C O2' . . . . . . . . . rr_8psh 1
. 1 . 438 . 2 2 6 C O3' O 9.741 4.131 -4.420 . . . 1.0 . . . . . . . . . . . . B . 14 C O3' . . . . . . . . . rr_8psh 1
. 1 . 439 . 2 2 6 C O4' O 7.710 1.492 -3.052 . . . 1.0 . . . . . . . . . . . . B . 14 C O4' . . . . . . . . . rr_8psh 1
. 1 . 440 . 2 2 6 C O5' O 9.201 2.794 -0.939 . . . 1.0 . . . . . . . . . . . . B . 14 C O5' . . . . . . . . . rr_8psh 1
. 1 . 441 . 2 2 6 C OP1 O 11.254 2.934 0.488 . . . 1.0 . . . . . . . . . . . . B . 14 C OP1 . . . . . . . . . rr_8psh 1
. 1 . 442 . 2 2 6 C OP2 O 9.009 3.819 1.333 . . . 1.0 . . . . . . . . . . . . B . 14 C OP2 . . . . . . . . . rr_8psh 1
. 1 . 443 . 2 2 6 C P P 9.781 2.818 0.564 . . . 1.0 . . . . . . . . . . . . B . 14 C P . . . . . . . . . rr_8psh 1
. 1 . 444 . 2 2 7 G C1' C 5.073 5.723 -7.186 . . . 1.0 . . . . . . . . . . . . B . 15 G C1' . . . . . . . . . rr_8psh 1
. 1 . 445 . 2 2 7 G C2 C 1.045 6.579 -5.770 . . . 1.0 . . . . . . . . . . . . B . 15 G C2 . . . . . . . . . rr_8psh 1
. 1 . 446 . 2 2 7 G C2' C 5.291 6.959 -8.060 . . . 1.0 . . . . . . . . . . . . B . 15 G C2' . . . . . . . . . rr_8psh 1
. 1 . 447 . 2 2 7 G C3' C 6.760 7.268 -7.784 . . . 1.0 . . . . . . . . . . . . B . 15 G C3' . . . . . . . . . rr_8psh 1
. 1 . 448 . 2 2 7 G C4 C 3.263 6.296 -5.502 . . . 1.0 . . . . . . . . . . . . B . 15 G C4 . . . . . . . . . rr_8psh 1
. 1 . 449 . 2 2 7 G C4' C 7.303 5.840 -7.776 . . . 1.0 . . . . . . . . . . . . B . 15 G C4' . . . . . . . . . rr_8psh 1
. 1 . 450 . 2 2 7 G C5 C 3.211 6.412 -4.134 . . . 1.0 . . . . . . . . . . . . B . 15 G C5 . . . . . . . . . rr_8psh 1
. 1 . 451 . 2 2 7 G C5' C 8.676 5.689 -7.115 . . . 1.0 . . . . . . . . . . . . B . 15 G C5' . . . . . . . . . rr_8psh 1
. 1 . 452 . 2 2 7 G C6 C 1.946 6.570 -3.488 . . . 1.0 . . . . . . . . . . . . B . 15 G C6 . . . . . . . . . rr_8psh 1
. 1 . 453 . 2 2 7 G C8 C 5.261 6.240 -4.648 . . . 1.0 . . . . . . . . . . . . B . 15 G C8 . . . . . . . . . rr_8psh 1
. 1 . 454 . 2 2 7 G H1 H -0.028 6.810 -4.015 . . . 1.0 . . . . . . . . . . . . B . 15 G H1 . . . . . . . . . rr_8psh 1
. 1 . 455 . 2 2 7 G H1' H 4.342 5.059 -7.649 . . . 1.0 . . . . . . . . . . . . B . 15 G H1' . . . . . . . . . rr_8psh 1
. 1 . 456 . 2 2 7 G H2' H 4.620 7.769 -7.801 . . . 1.0 . . . . . . . . . . . . B . 15 G H2' . . . . . . . . . rr_8psh 1
. 1 . 457 . 2 2 7 G H21 H -0.951 6.856 -6.077 . . . 1.0 . . . . . . . . . . . . B . 15 G H21 . . . . . . . . . rr_8psh 1
. 1 . 458 . 2 2 7 G H22 H 0.010 6.631 -7.520 . . . 1.0 . . . . . . . . . . . . B . 15 G H22 . . . . . . . . . rr_8psh 1
. 1 . 459 . 2 2 7 G H3' H 6.874 7.715 -6.795 . . . 1.0 . . . . . . . . . . . . B . 15 G H3' . . . . . . . . . rr_8psh 1
. 1 . 460 . 2 2 7 G H4' H 7.375 5.488 -8.806 . . . 1.0 . . . . . . . . . . . . B . 15 G H4' . . . . . . . . . rr_8psh 1
. 1 . 461 . 2 2 7 G H5' H 9.016 4.661 -7.246 . . . 1.0 . . . . . . . . . . . . B . 15 G H5' . . . . . . . . . rr_8psh 1
. 1 . 462 . 2 2 7 G H5'' H 9.386 6.361 -7.599 . . . 1.0 . . . . . . . . . . . . B . 15 G H5'' . . . . . . . . . rr_8psh 1
. 1 . 463 . 2 2 7 G H8 H 6.334 6.205 -4.563 . . . 1.0 . . . . . . . . . . . . B . 15 G H8 . . . . . . . . . rr_8psh 1
. 1 . 464 . 2 2 7 G HO2' H 4.187 6.357 -9.545 . . . 1.0 . . . . . . . . . . . . B . 15 G HO2' . . . . . . . . . rr_8psh 1
. 1 . 465 . 2 2 7 G N1 N 0.898 6.671 -4.399 . . . 1.0 . . . . . . . . . . . . B . 15 G N1 . . . . . . . . . rr_8psh 1
. 1 . 466 . 2 2 7 G N2 N -0.057 6.694 -6.515 . . . 1.0 . . . . . . . . . . . . B . 15 G N2 . . . . . . . . . rr_8psh 1
. 1 . 467 . 2 2 7 G N3 N 2.223 6.367 -6.375 . . . 1.0 . . . . . . . . . . . . B . 15 G N3 . . . . . . . . . rr_8psh 1
. 1 . 468 . 2 2 7 G N7 N 4.497 6.408 -3.605 . . . 1.0 . . . . . . . . . . . . B . 15 G N7 . . . . . . . . . rr_8psh 1
. 1 . 469 . 2 2 7 G N9 N 4.580 6.091 -5.833 . . . 1.0 . . . . . . . . . . . . B . 15 G N9 . . . . . . . . . rr_8psh 1
. 1 . 470 . 2 2 7 G O2' O 5.103 6.616 -9.419 . . . 1.0 . . . . . . . . . . . . B . 15 G O2' . . . . . . . . . rr_8psh 1
. 1 . 471 . 2 2 7 G O3' O 7.361 8.054 -8.800 . . . 1.0 . . . . . . . . . . . . B . 15 G O3' . . . . . . . . . rr_8psh 1
. 1 . 472 . 2 2 7 G O4' O 6.324 5.059 -7.109 . . . 1.0 . . . . . . . . . . . . B . 15 G O4' . . . . . . . . . rr_8psh 1
. 1 . 473 . 2 2 7 G O5' O 8.587 5.996 -5.738 . . . 1.0 . . . . . . . . . . . . B . 15 G O5' . . . . . . . . . rr_8psh 1
. 1 . 474 . 2 2 7 G O6 O 1.709 6.635 -2.285 . . . 1.0 . . . . . . . . . . . . B . 15 G O6 . . . . . . . . . rr_8psh 1
. 1 . 475 . 2 2 7 G OP1 O 11.074 5.992 -5.440 . . . 1.0 . . . . . . . . . . . . B . 15 G OP1 . . . . . . . . . rr_8psh 1
. 1 . 476 . 2 2 7 G OP2 O 9.520 6.440 -3.460 . . . 1.0 . . . . . . . . . . . . B . 15 G OP2 . . . . . . . . . rr_8psh 1
. 1 . 477 . 2 2 7 G P P 9.809 5.721 -4.721 . . . 1.0 . . . . . . . . . . . . B . 15 G P . . . . . . . . . rr_8psh 1
. 1 . 478 . 2 2 8 C C1' C 1.964 10.234 -8.072 . . . 1.0 . . . . . . . . . . . . B . 16 C C1' . . . . . . . . . rr_8psh 1
. 1 . 479 . 2 2 8 C C2 C 1.217 10.160 -5.708 . . . 1.0 . . . . . . . . . . . . B . 16 C C2 . . . . . . . . . rr_8psh 1
. 1 . 480 . 2 2 8 C C2' C 2.041 11.732 -8.393 . . . 1.0 . . . . . . . . . . . . B . 16 C C2' . . . . . . . . . rr_8psh 1
. 1 . 481 . 2 2 8 C C3' C 3.491 11.857 -8.845 . . . 1.0 . . . . . . . . . . . . B . 16 C C3' . . . . . . . . . rr_8psh 1
. 1 . 482 . 2 2 8 C C4 C 2.719 9.680 -3.955 . . . 1.0 . . . . . . . . . . . . B . 16 C C4 . . . . . . . . . rr_8psh 1
. 1 . 483 . 2 2 8 C C4' C 3.617 10.567 -9.658 . . . 1.0 . . . . . . . . . . . . B . 16 C C4' . . . . . . . . . rr_8psh 1
. 1 . 484 . 2 2 8 C C5 C 3.811 9.558 -4.873 . . . 1.0 . . . . . . . . . . . . B . 16 C C5 . . . . . . . . . rr_8psh 1
. 1 . 485 . 2 2 8 C C5' C 5.059 10.144 -9.964 . . . 1.0 . . . . . . . . . . . . B . 16 C C5' . . . . . . . . . rr_8psh 1
. 1 . 486 . 2 2 8 C C6 C 3.531 9.737 -6.181 . . . 1.0 . . . . . . . . . . . . B . 16 C C6 . . . . . . . . . rr_8psh 1
. 1 . 487 . 2 2 8 C H1' H 0.975 9.843 -8.319 . . . 1.0 . . . . . . . . . . . . B . 16 C H1' . . . . . . . . . rr_8psh 1
. 1 . 488 . 2 2 8 C H2' H 1.813 12.366 -7.536 . . . 1.0 . . . . . . . . . . . . B . 16 C H2' . . . . . . . . . rr_8psh 1
. 1 . 489 . 2 2 8 C H3' H 4.148 11.845 -7.975 . . . 1.0 . . . . . . . . . . . . B . 16 C H3' . . . . . . . . . rr_8psh 1
. 1 . 490 . 2 2 8 C H4' H 3.090 10.693 -10.606 . . . 1.0 . . . . . . . . . . . . B . 16 C H4' . . . . . . . . . rr_8psh 1
. 1 . 491 . 2 2 8 C H41 H 2.168 9.551 -2.001 . . . 1.0 . . . . . . . . . . . . B . 16 C H41 . . . . . . . . . rr_8psh 1
. 1 . 492 . 2 2 8 C H42 H 3.847 9.193 -2.331 . . . 1.0 . . . . . . . . . . . . B . 16 C H42 . . . . . . . . . rr_8psh 1
. 1 . 493 . 2 2 8 C H5 H 4.821 9.324 -4.570 . . . 1.0 . . . . . . . . . . . . B . 16 C H5 . . . . . . . . . rr_8psh 1
. 1 . 494 . 2 2 8 C H5' H 5.054 9.169 -10.451 . . . 1.0 . . . . . . . . . . . . B . 16 C H5' . . . . . . . . . rr_8psh 1
. 1 . 495 . 2 2 8 C H5'' H 5.499 10.878 -10.641 . . . 1.0 . . . . . . . . . . . . B . 16 C H5'' . . . . . . . . . rr_8psh 1
. 1 . 496 . 2 2 8 C H6 H 4.349 9.684 -6.872 . . . 1.0 . . . . . . . . . . . . B . 16 C H6 . . . . . . . . . rr_8psh 1
. 1 . 497 . 2 2 8 C HO2' H 0.819 12.920 -9.338 . . . 1.0 . . . . . . . . . . . . B . 16 C HO2' . . . . . . . . . rr_8psh 1
. 1 . 498 . 2 2 8 C HO3' H 2.974 13.125 -10.211 . . . 1.0 . . . . . . . . . . . . B . 16 C HO3' . . . . . . . . . rr_8psh 1
. 1 . 499 . 2 2 8 C N1 N 2.259 10.012 -6.626 . . . 1.0 . . . . . . . . . . . . B . 16 C N1 . . . . . . . . . rr_8psh 1
. 1 . 500 . 2 2 8 C N3 N 1.481 9.976 -4.382 . . . 1.0 . . . . . . . . . . . . B . 16 C N3 . . . . . . . . . rr_8psh 1
. 1 . 501 . 2 2 8 C N4 N 2.935 9.480 -2.653 . . . 1.0 . . . . . . . . . . . . B . 16 C N4 . . . . . . . . . rr_8psh 1
. 1 . 502 . 2 2 8 C O2 O 0.085 10.458 -6.083 . . . 1.0 . . . . . . . . . . . . B . 16 C O2 . . . . . . . . . rr_8psh 1
. 1 . 503 . 2 2 8 C O2' O 1.166 12.034 -9.464 . . . 1.0 . . . . . . . . . . . . B . 16 C O2' . . . . . . . . . rr_8psh 1
. 1 . 504 . 2 2 8 C O3' O 3.709 13.026 -9.602 . . . 1.0 . . . . . . . . . . . . B . 16 C O3' . . . . . . . . . rr_8psh 1
. 1 . 505 . 2 2 8 C O4' O 2.922 9.586 -8.905 . . . 1.0 . . . . . . . . . . . . B . 16 C O4' . . . . . . . . . rr_8psh 1
. 1 . 506 . 2 2 8 C O5' O 5.815 10.092 -8.770 . . . 1.0 . . . . . . . . . . . . B . 16 C O5' . . . . . . . . . rr_8psh 1
. 1 . 507 . 2 2 8 C OP1 O 8.006 10.164 -9.987 . . . 1.0 . . . . . . . . . . . . B . 16 C OP1 . . . . . . . . . rr_8psh 1
. 1 . 508 . 2 2 8 C OP2 O 7.925 10.075 -7.433 . . . 1.0 . . . . . . . . . . . . B . 16 C OP2 . . . . . . . . . rr_8psh 1
. 1 . 509 . 2 2 8 C P P 7.372 9.669 -8.744 . . . 1.0 . . . . . . . . . . . . B . 16 C P . . . . . . . . . rr_8psh 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_8psh
_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 8psh.mr . . "MR format" 1 comment "Not applicable" "Not applicable" 0 rr_8psh 1
1 8psh.mr . . DISCOVER 2 distance "hydrogen bond" simple 22 rr_8psh 1
1 8psh.mr . . DISCOVER 3 distance NOE simple 184 rr_8psh 1
1 8psh.mr . . DISCOVER 4 "dihedral angle" "Not applicable" "Not applicable" 74 rr_8psh 1
1 8psh.mr . . "MR format" 5 "nomenclature mapping" "Not applicable" "Not applicable" 0 rr_8psh 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_8psh
_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: '8psh'" . . . . distance "general distance" . 48 rr_8psh 1
2 "From CCPN project: '8psh'" . . . . distance "hydrogen bond" . 0 rr_8psh 1
3 "From CCPN project: '8psh'" . . . . "dihedral angle" "Not applicable" . 62 rr_8psh 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 8psh.mr . . "MR format" 1 comment "Not applicable" "Not applicable" 0 rr_8psh 1
1 8psh.mr . . DISCOVER 2 distance "hydrogen bond" simple 22 rr_8psh 1
1 8psh.mr . . DISCOVER 3 distance NOE simple 184 rr_8psh 1
1 8psh.mr . . DISCOVER 4 "dihedral angle" "Not applicable" "Not applicable" 74 rr_8psh 1
1 8psh.mr . . "MR format" 5 "nomenclature mapping" "Not applicable" "Not applicable" 0 rr_8psh 1
stop_
save_
save_Discover_distance_constraints_3
_Gen_dist_constraint_list.Sf_category general_distance_constraints
_Gen_dist_constraint_list.Sf_framecode Discover_distance_constraints_3
_Gen_dist_constraint_list.Entry_ID rr_8psh
_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_8psh 1
stop_
loop_
_Gen_dist_constraint.ID
_Gen_dist_constraint.Member_ID
_Gen_dist_constraint.Member_logic_code
_Gen_dist_constraint.Assembly_atom_ID_1
_Gen_dist_constraint.Entity_assembly_ID_1
_Gen_dist_constraint.Entity_ID_1
_Gen_dist_constraint.Comp_index_ID_1
_Gen_dist_constraint.Seq_ID_1
_Gen_dist_constraint.Comp_ID_1
_Gen_dist_constraint.Atom_ID_1
_Gen_dist_constraint.Atom_type_1
_Gen_dist_constraint.Atom_isotope_number_1
_Gen_dist_constraint.Resonance_ID_1
_Gen_dist_constraint.Assembly_atom_ID_2
_Gen_dist_constraint.Entity_assembly_ID_2
_Gen_dist_constraint.Entity_ID_2
_Gen_dist_constraint.Comp_index_ID_2
_Gen_dist_constraint.Seq_ID_2
_Gen_dist_constraint.Comp_ID_2
_Gen_dist_constraint.Atom_ID_2
_Gen_dist_constraint.Atom_type_2
_Gen_dist_constraint.Atom_isotope_number_2
_Gen_dist_constraint.Resonance_ID_2
_Gen_dist_constraint.Intensity_val
_Gen_dist_constraint.Intensity_lower_val_err
_Gen_dist_constraint.Intensity_upper_val_err
_Gen_dist_constraint.Distance_val
_Gen_dist_constraint.Distance_lower_bound_val
_Gen_dist_constraint.Distance_upper_bound_val
_Gen_dist_constraint.Contribution_fractional_val
_Gen_dist_constraint.Spectral_peak_ID
_Gen_dist_constraint.Spectral_peak_list_ID
_Gen_dist_constraint.PDB_record_ID_1
_Gen_dist_constraint.PDB_model_num_1
_Gen_dist_constraint.PDB_strand_ID_1
_Gen_dist_constraint.PDB_ins_code_1
_Gen_dist_constraint.PDB_residue_no_1
_Gen_dist_constraint.PDB_residue_name_1
_Gen_dist_constraint.PDB_atom_name_1
_Gen_dist_constraint.PDB_record_ID_2
_Gen_dist_constraint.PDB_model_num_2
_Gen_dist_constraint.PDB_strand_ID_2
_Gen_dist_constraint.PDB_ins_code_2
_Gen_dist_constraint.PDB_residue_no_2
_Gen_dist_constraint.PDB_residue_name_2
_Gen_dist_constraint.PDB_atom_name_2
_Gen_dist_constraint.Auth_entity_assembly_ID_1
_Gen_dist_constraint.Auth_asym_ID_1
_Gen_dist_constraint.Auth_chain_ID_1
_Gen_dist_constraint.Auth_seq_ID_1
_Gen_dist_constraint.Auth_comp_ID_1
_Gen_dist_constraint.Auth_atom_ID_1
_Gen_dist_constraint.Auth_alt_ID_1
_Gen_dist_constraint.Auth_atom_name_1
_Gen_dist_constraint.Auth_entity_assembly_ID_2
_Gen_dist_constraint.Auth_asym_ID_2
_Gen_dist_constraint.Auth_chain_ID_2
_Gen_dist_constraint.Auth_seq_ID_2
_Gen_dist_constraint.Auth_comp_ID_2
_Gen_dist_constraint.Auth_atom_ID_2
_Gen_dist_constraint.Auth_alt_ID_2
_Gen_dist_constraint.Auth_atom_name_2
_Gen_dist_constraint.Entry_ID
_Gen_dist_constraint.Gen_dist_constraint_list_ID
1 1 . . 2 2 3 3 U H3 H . . . 2 2 4 4 G H1' H . . . . . . 1.80 5.79 . . . . . B . 11 U H3 . . B . 12 G H1' . 1 . 11 U H3 . . . 1 . 12 G H1' . . rr_8psh 1
2 1 . . 2 2 4 4 G H1 H . . . 2 2 5 5 A H1' H . . . . . . 1.80 4.42 . . . . . B . 12 G H1 . . B . 13 A H1' . 1 . 12 G H1 . . . 1 . 13 A H1' . . rr_8psh 1
3 1 . . 2 2 3 3 U H3 H . . . 2 2 4 4 G H1 H . . . . . . 1.80 7.30 . . . . . B . 12 G H1 . . B . 11 U H3 . 1 . 12 G H1 . . . 1 . 11 U H3 . . rr_8psh 1
4 1 . . 2 2 1 1 C H4' H . . . 2 2 1 1 C H1' H . . . . . . 3.32 3.95 . . . . . B . 9 C H4' . . B . 9 C H1' . 1 . 9 C H4' . . . 1 . 9 C H1' . . rr_8psh 1
5 1 . . 2 2 1 1 C H1' H . . . 2 2 1 1 C H2' H . . . . . . 2.27 2.98 . . . . . B . 9 C H1' . . B . 9 C H2' . 1 . 9 C H1' . . . 1 . 9 C H2' . . rr_8psh 1
6 1 . . 2 2 1 1 C H4' H . . . 2 2 1 1 C H6 H . . . . . . 3.15 3.83 . . . . . B . 9 C H4' . . B . 9 C H6 . 1 . 9 C H4' . . . 1 . 9 C H6 . . rr_8psh 1
7 1 . . 2 2 2 2 C H1' H . . . 2 2 2 2 C H2' H . . . . . . 2.26 2.60 . . . . . B . 10 C H1' . . B . 10 C H2' . 1 . 10 C H1' . . . 1 . 10 C H2' . . rr_8psh 1
8 1 . . 2 2 2 2 C H5 H . . . 2 2 1 1 C H1' H . . . . . . 2.94 5.60 . . . . . B . 9 C H1' . . B . 10 C H5 . 1 . 9 C H1' . . . 1 . 10 C H5 . . rr_8psh 1
9 1 . . 2 2 2 2 C H5 H . . . 2 2 1 1 C H2' H . . . . . . 2.51 3.72 . . . . . B . 9 C H2' . . B . 10 C H5 . 1 . 9 C H2' . . . 1 . 10 C H5 . . rr_8psh 1
10 1 . . 2 2 2 2 C H5 H . . . 2 2 1 1 C H3' H . . . . . . 3.04 3.36 . . . . . B . 9 C H3' . . B . 10 C H5 . 1 . 9 C H3' . . . 1 . 10 C H5 . . rr_8psh 1
11 1 . . 2 2 1 1 C H6 H . . . 2 2 1 1 C H5' H . . . . . . 2.30 4.65 . . . . . B . 9 C H5' . . B . 9 C H6 . 1 . 9 C H5'1 . . . 1 . 9 C H6 . . rr_8psh 1
12 1 . . 2 2 2 2 C H5 H . . . 2 2 2 2 C H2' H . . . . . . 3.85 5.12 . . . . . B . 10 C H2' . . B . 10 C H5 . 1 . 10 C H2' . . . 1 . 10 C H5 . . rr_8psh 1
13 1 . . 2 2 3 3 U H4' H . . . 2 2 3 3 U H2' H . . . . . . 2.81 3.54 . . . . . B . 11 U H4' . . B . 11 U H2' . 1 . 11 U H4' . . . 1 . 11 U H2' . . rr_8psh 1
14 1 . . 2 2 3 3 U H1' H . . . 2 2 3 3 U H2' H . . . . . . 2.34 2.70 . . . . . B . 11 U H1' . . B . 11 U H2' . 1 . 11 U H1' . . . 1 . 11 U H2' . . rr_8psh 1
15 1 . . 2 2 3 3 U H6 H . . . 2 2 2 2 C H5 H . . . . . . 4.08 10.00 . . . . . B . 10 C H5 . . B . 11 U H6 . 1 . 10 C H5 . . . 1 . 11 U H6 . . rr_8psh 1
16 1 . . 2 2 3 3 U H6 H . . . 2 2 3 3 U H2' H . . . . . . 3.02 3.45 . . . . . B . 11 U H2' . . B . 11 U H6 . 1 . 11 U H2' . . . 1 . 11 U H6 . . rr_8psh 1
17 1 . . 2 2 4 4 G H1' H . . . 2 2 3 3 U H2' H . . . . . . 3.35 3.74 . . . . . B . 11 U H2' . . B . 12 G H1' . 1 . 11 U H2' . . . 1 . 12 G H1' . . rr_8psh 1
18 1 . . 2 2 3 3 U H1' H . . . 2 2 4 4 G H8 H . . . . . . 3.35 4.59 . . . . . B . 11 U H1' . . B . 12 G H8 . 1 . 11 U H1' . . . 1 . 12 G H8 . . rr_8psh 1
19 1 . . 2 2 3 3 U H2' H . . . 2 2 4 4 G H8 H . . . . . . 2.30 2.58 . . . . . B . 11 U H2' . . B . 12 G H8 . 1 . 11 U H2' . . . 1 . 12 G H8 . . rr_8psh 1
20 1 . . 2 2 4 4 G H1' H . . . 2 2 4 4 G H8 H . . . . . . 3.50 3.92 . . . . . B . 12 G H1' . . B . 12 G H8 . 1 . 12 G H1' . . . 1 . 12 G H8 . . rr_8psh 1
21 1 . . 2 2 4 4 G H1' H . . . 2 2 5 5 A H8 H . . . . . . 3.16 3.98 . . . . . B . 12 G H1' . . B . 13 A H8 . 1 . 12 G H1' . . . 1 . 13 A H8 . . rr_8psh 1
22 1 . . 2 2 5 5 A H1' H . . . 2 2 5 5 A H8 H . . . . . . 3.38 3.81 . . . . . B . 13 A H1' . . B . 13 A H8 . 1 . 13 A H1' . . . 1 . 13 A H8 . . rr_8psh 1
23 1 . . 2 2 5 5 A H2 H . . . 2 2 5 5 A H1' H . . . . . . 4.35 4.92 . . . . . B . 13 A H1' . . B . 13 A H2 . 1 . 13 A H1' . . . 1 . 13 A H2 . . rr_8psh 1
24 1 . . 2 2 6 6 C H1' H . . . 2 2 5 5 A H2' H . . . . . . 3.17 4.32 . . . . . B . 13 A H2' . . B . 14 C H1' . 1 . 13 A H2' . . . 1 . 14 C H1' . . rr_8psh 1
25 1 . . 2 2 5 5 A H2 H . . . 2 2 6 6 C H1' H . . . . . . 2.93 3.47 . . . . . B . 13 A H2 . . B . 14 C H1' . 1 . 13 A H2 . . . 1 . 14 C H1' . . rr_8psh 1
26 1 . . 2 2 5 5 A H1' H . . . 2 2 6 6 C H6 H . . . . . . 3.48 4.75 . . . . . B . 13 A H1' . . B . 14 C H6 . 1 . 13 A H1' . . . 1 . 14 C H6 . . rr_8psh 1
27 1 . . 2 2 5 5 A H8 H . . . 2 2 6 6 C H6 H . . . . . . 3.74 5.23 . . . . . B . 13 A H8 . . B . 14 C H6 . 1 . 13 A H8 . . . 1 . 14 C H6 . . rr_8psh 1
28 1 . . 2 2 6 6 C H1' H . . . 2 2 6 6 C H6 H . . . . . . 3.23 3.57 . . . . . B . 14 C H1' . . B . 14 C H6 . 1 . 14 C H1' . . . 1 . 14 C H6 . . rr_8psh 1
29 1 . . 2 2 6 6 C H6 H . . . 2 2 6 6 C H5' H . . . . . . 2.86 3.57 . . . . . B . 14 C H5' . . B . 14 C H6 . 1 . 14 C H5'1 . . . 1 . 14 C H6 . . rr_8psh 1
30 1 . . 2 2 6 6 C H6 H . . . 2 2 6 6 C H5'' H . . . . . . 2.86 3.57 . . . . . B . 14 C H5'' . . B . 14 C H6 . 1 . 14 C H5'2 . . . 1 . 14 C H6 . . rr_8psh 1
31 1 . . 2 2 5 5 A H2' H . . . 2 2 6 6 C H5 H . . . . . . 2.80 4.48 . . . . . B . 13 A H2' . . B . 14 C H5 . 1 . 13 A H2' . . . 1 . 14 C H5 . . rr_8psh 1
32 1 . . 2 2 5 5 A H8 H . . . 2 2 6 6 C H5 H . . . . . . 3.94 4.65 . . . . . B . 13 A H8 . . B . 14 C H5 . 1 . 13 A H8 . . . 1 . 14 C H5 . . rr_8psh 1
33 1 . . 2 2 6 6 C H1' H . . . 1 1 1 1 DG H1' H . . . . . . 4.49 5.07 . . . . . B . 14 C H1' . . A . 1 DG H1' . 1 . 14 C H1' . . . 1 . 15 G H1' . . rr_8psh 1
34 1 . . 1 1 1 1 DG H1' H . . . 1 1 1 1 DG H4' H . . . . . . 2.87 3.17 . . . . . A . 1 DG H4' . . A . 1 DG H1' . 1 . 15 G H4' . . . 1 . 15 G H1' . . rr_8psh 1
35 1 . . 2 2 6 6 C H1' H . . . 1 1 1 1 DG H8 H . . . . . . 3.36 4.39 . . . . . B . 14 C H1' . . A . 1 DG H8 . 1 . 14 C H1' . . . 1 . 15 G H8 . . rr_8psh 1
36 1 . . 2 2 6 6 C H6 H . . . 1 1 1 1 DG H8 H . . . . . . 3.41 5.28 . . . . . B . 14 C H6 . . A . 1 DG H8 . 1 . 14 C H6 . . . 1 . 15 G H8 . . rr_8psh 1
37 1 . . 1 1 1 1 DG H1' H . . . 1 1 1 1 DG H8 H . . . . . . 3.23 3.78 . . . . . A . 1 DG H1' . . A . 1 DG H8 . 1 . 15 G H1' . . . 1 . 15 G H8 . . rr_8psh 1
38 1 . . 1 1 1 1 DG H8 H . . . 1 1 1 1 DG H3' H . . . . . . 2.55 2.90 . . . . . A . 1 DG H3' . . A . 1 DG H8 . 1 . 15 G H3' . . . 1 . 15 G H8 . . rr_8psh 1
39 1 . . 1 1 2 2 SC H6 H . . . 1 1 1 1 DG H1' H . . . . . . 3.41 4.21 . . . . . A . 1 DG H1' . . A . 2 SC H6 . 1 . 15 G H1' . . . 1 . 16 C H6 . . rr_8psh 1
40 1 . . 1 1 2 2 SC H6 H . . . 1 1 1 1 DG H3' H . . . . . . 2.81 3.18 . . . . . A . 1 DG H3' . . A . 2 SC H6 . 1 . 15 G H3' . . . 1 . 16 C H6 . . rr_8psh 1
41 1 . . 1 1 1 1 DG H8 H . . . 1 1 1 1 DG H5' H . . . . . . 2.95 4.40 . . . . . A . 1 DG H5' . . A . 1 DG H8 . 1 . 15 G H5'1 . . . 1 . 15 G H8 . . rr_8psh 1
42 1 . . 1 1 1 1 DG H8 H . . . 1 1 1 1 DG H5'' H . . . . . . 2.95 4.40 . . . . . A . 1 DG H5'' . . A . 1 DG H8 . 1 . 15 G H5'2 . . . 1 . 15 G H8 . . rr_8psh 1
43 1 . . 1 1 2 2 SC H6 H . . . 1 1 2 2 SC H1' H . . . . . . 3.23 3.57 . . . . . A . 2 SC H1' . . A . 2 SC H6 . 1 . 16 C H1' . . . 1 . 16 C H6 . . rr_8psh 1
44 1 . . 1 1 2 2 SC H6 H . . . 1 1 2 2 SC H3' H . . . . . . 2.17 2.49 . . . . . A . 2 SC H3' . . A . 2 SC H6 . 1 . 16 C H3' . . . 1 . 16 C H6 . . rr_8psh 1
45 1 . . 1 1 1 1 DG H1' H . . . 1 1 2 2 SC H5 H . . . . . . 3.30 4.40 . . . . . A . 1 DG H1' . . A . 2 SC H5 . 1 . 15 G H1' . . . 1 . 16 C H5 . . rr_8psh 1
46 1 . . 1 1 1 1 DG H3' H . . . 1 1 2 2 SC H5 H . . . . . . 3.31 3.75 . . . . . A . 1 DG H3' . . A . 2 SC H5 . 1 . 15 G H3' . . . 1 . 16 C H5 . . rr_8psh 1
47 1 . . 1 1 2 2 SC H1' H . . . 1 1 2 2 SC H5 H . . . . . . 3.33 6.05 . . . . . A . 2 SC H1' . . A . 2 SC H5 . 1 . 16 C H1' . . . 1 . 16 C H5 . . rr_8psh 1
48 1 . . 1 1 2 2 SC H3' H . . . 1 1 2 2 SC H5 H . . . . . . 3.42 4.77 . . . . . A . 2 SC H3' . . A . 2 SC H5 . 1 . 16 C H3' . . . 1 . 16 C H5 . . rr_8psh 1
stop_
loop_
_Gen_dist_constraint_conv_err.ID
_Gen_dist_constraint_conv_err.Gen_dist_constraint_parse_file_ID
_Gen_dist_constraint_conv_err.Parse_file_constraint_ID
_Gen_dist_constraint_conv_err.Conv_error_type
_Gen_dist_constraint_conv_err.Conv_error_note
_Gen_dist_constraint_conv_err.Entry_ID
_Gen_dist_constraint_conv_err.Gen_dist_constraint_list_ID
1 3 1 1 "Not handling restraint 1, item 1, resonance(s) '1.4.H3' (nmrStar names) not linked" rr_8psh 1
2 3 2 1 "Not handling restraint 2, item 1, resonance(s) '1.4.H3' (nmrStar names),'1.3.H8' (nmrStar names) not linked" rr_8psh 1
3 3 3 1 "Not handling restraint 3, item 1, resonance(s) '1.4.H3' (nmrStar names),'1.4.H6' (nmrStar names) not linked" rr_8psh 1
4 3 4 1 "Not handling restraint 4, item 1, resonance(s) '1.4.H3' (nmrStar names),'1.5.H42' (nmrStar names) not linked" rr_8psh 1
5 3 5 1 "Not handling restraint 5, item 1, resonance(s) '1.4.H3' (nmrStar names),'1.4.H1'' (nmrStar names) not linked" rr_8psh 1
6 3 6 1 "Not handling restraint 6, item 1, resonance(s) '1.4.H3' (nmrStar names),'1.5.H1'' (nmrStar names) not linked" rr_8psh 1
7 3 7 1 "Not handling restraint 7, item 1, resonance(s) '1.4.H3' (nmrStar names),'1.5.H5' (nmrStar names) not linked" rr_8psh 1
8 3 8 1 "Not handling restraint 8, item 1, resonance(s) '1.4.H3' (nmrStar names) not linked" rr_8psh 1
9 3 9 1 "Not handling restraint 9, item 1, resonance(s) '1.4.H3' (nmrStar names),'1.4.C5M' (nmrStar names) not linked" rr_8psh 1
10 3 10 1 "Not handling restraint 10, item 1, resonance(s) '1.6.H2' (nmrStar names) not linked" rr_8psh 1
11 3 12 1 "Not handling restraint 12, item 1, resonance(s) '1.7.H1' (nmrStar names) not linked" rr_8psh 1
12 3 13 1 "Not handling restraint 13, item 1, resonance(s) '1.7.H1' (nmrStar names) not linked" rr_8psh 1
13 3 14 1 "Not handling restraint 14, item 1, resonance(s) '1.6.H2' (nmrStar names),'1.7.H1' (nmrStar names) not linked" rr_8psh 1
14 3 15 1 "Not handling restraint 15, item 1, resonance(s) '1.7.H1' (nmrStar names),'1.8.H1'' (nmrStar names) not linked" rr_8psh 1
15 3 16 1 "Not handling restraint 16, item 1, resonance(s) '1.7.H1' (nmrStar names) not linked" rr_8psh 1
16 3 17 1 "Not handling restraint 17, item 1, resonance(s) '1.2.H41' (nmrStar names) not linked" rr_8psh 1
17 3 18 1 "Not handling restraint 18, item 1, resonance(s) '1.3.H1' (nmrStar names) not linked" rr_8psh 1
18 3 19 1 "Not handling restraint 19, item 1, resonance(s) '1.2.H5' (nmrStar names) not linked" rr_8psh 1
19 3 20 1 "Not handling restraint 20, item 1, resonance(s) '1.5.H41' (nmrStar names) not linked" rr_8psh 1
20 3 21 1 "Not handling restraint 21, item 1, resonance(s) '1.5.H42' (nmrStar names) not linked" rr_8psh 1
21 3 22 1 "Not handling restraint 22, item 1, resonance(s) '1.6.H1'' (nmrStar names) not linked" rr_8psh 1
22 3 25 1 "Not handling restraint 25, item 1, resonance(s) '1.4.H3' (nmrStar names) not linked" rr_8psh 1
23 3 26 1 "Not handling restraint 26, item 1, resonance(s) '1.4.H3' (nmrStar names),'1.3.H1' (nmrStar names) not linked" rr_8psh 1
24 3 27 1 "Not handling restraint 27, item 1, resonance(s) '1.7.H1' (nmrStar names) not linked" rr_8psh 1
25 3 28 1 "Not handling restraint 28, item 1, resonance(s) '1.4.H3' (nmrStar names) not linked" rr_8psh 1
26 3 29 1 "Not handling restraint 29, item 1, resonance(s) '1.7.H1' (nmrStar names) not linked" rr_8psh 1
27 3 30 1 "Not handling restraint 30, item 1, resonance(s) '1.7.H1' (nmrStar names) not linked" rr_8psh 1
28 3 31 1 "Not handling restraint 31, item 1, resonance(s) '1.4.C5M' (nmrStar names),'1.5.H41' (nmrStar names) not linked" rr_8psh 1
29 3 32 1 "Not handling restraint 32, item 1, resonance(s) '1.16.H42' (nmrStar names) not linked" rr_8psh 1
30 3 33 1 "Not handling restraint 33, item 1, resonance(s) '1.5.H42' (nmrStar names),'1.4.C5M' (nmrStar names) not linked" rr_8psh 1
31 3 34 1 "Not handling restraint 34, item 1, resonance(s) '1.1.H4'' (nmrStar names),'1.1.H5'1' (nmrStar names) not linked" rr_8psh 1
32 3 35 1 "Not handling restraint 35, item 1, resonance(s) '1.1.H4'' (nmrStar names),'1.1.H5'2' (nmrStar names) not linked" rr_8psh 1
33 3 36 1 "Not handling restraint 36, item 1, resonance(s) '1.1.H1'' (nmrStar names),'1.1.H2'1' (nmrStar names) not linked" rr_8psh 1
34 3 37 1 "Not handling restraint 37, item 1, resonance(s) '1.1.H5'1' (nmrStar names),'1.1.H3'' (nmrStar names) not linked" rr_8psh 1
35 3 38 1 "Not handling restraint 38, item 1, resonance(s) '1.1.H5'2' (nmrStar names),'1.1.H3'' (nmrStar names) not linked" rr_8psh 1
36 3 39 1 "Not handling restraint 39, item 1, resonance(s) '1.1.H2'1' (nmrStar names),'1.1.H3'' (nmrStar names) not linked" rr_8psh 1
37 3 40 1 "Not handling restraint 40, item 1, resonance(s) '1.1.H5'2' (nmrStar names),'1.1.H8' (nmrStar names) not linked" rr_8psh 1
38 3 41 1 "Not handling restraint 41, item 1, resonance(s) '1.1.H1'' (nmrStar names),'1.1.H8' (nmrStar names) not linked" rr_8psh 1
39 3 42 1 "Not handling restraint 42, item 1, resonance(s) '1.1.H2'1' (nmrStar names),'1.1.H8' (nmrStar names) not linked" rr_8psh 1
40 3 43 1 "Not handling restraint 43, item 1, resonance(s) '1.1.H3'' (nmrStar names),'1.1.H8' (nmrStar names) not linked" rr_8psh 1
41 3 44 1 "Not handling restraint 44, item 1, resonance(s) '1.1.H8' (nmrStar names),'1.1.H2'2' (nmrStar names) not linked" rr_8psh 1
42 3 45 1 "Not handling restraint 45, item 1, resonance(s) '1.2.H4'' (nmrStar names),'1.2.H1'' (nmrStar names) not linked" rr_8psh 1
43 3 46 1 "Not handling restraint 46, item 1, resonance(s) '1.2.H4'' (nmrStar names),'1.2.H2'2' (nmrStar names) not linked" rr_8psh 1
44 3 47 1 "Not handling restraint 47, item 1, resonance(s) '1.1.H1'' (nmrStar names),'1.2.H6' (nmrStar names) not linked" rr_8psh 1
45 3 48 1 "Not handling restraint 48, item 1, resonance(s) '1.1.H2'1' (nmrStar names),'1.2.H6' (nmrStar names) not linked" rr_8psh 1
46 3 49 1 "Not handling restraint 49, item 1, resonance(s) '1.2.H1'' (nmrStar names),'1.2.H6' (nmrStar names) not linked" rr_8psh 1
47 3 50 1 "Not handling restraint 50, item 1, resonance(s) '1.2.H2'2' (nmrStar names),'1.2.H6' (nmrStar names) not linked" rr_8psh 1
48 3 51 1 "Not handling restraint 51, item 1, resonance(s) '1.2.H5' (nmrStar names),'1.1.H1'' (nmrStar names) not linked" rr_8psh 1
49 3 52 1 "Not handling restraint 52, item 1, resonance(s) '1.2.H5' (nmrStar names),'1.1.H2'1' (nmrStar names) not linked" rr_8psh 1
50 3 53 1 "Not handling restraint 53, item 1, resonance(s) '1.2.H5' (nmrStar names),'1.2.H6' (nmrStar names) not linked" rr_8psh 1
51 3 54 1 "Not handling restraint 54, item 1, resonance(s) '1.3.H4'' (nmrStar names),'1.3.H1'' (nmrStar names) not linked" rr_8psh 1
52 3 55 1 "Not handling restraint 55, item 1, resonance(s) '1.3.H1'' (nmrStar names),'1.3.H3'' (nmrStar names) not linked" rr_8psh 1
53 3 56 1 "Not handling restraint 56, item 1, resonance(s) '1.3.H8' (nmrStar names),'1.2.H2'2' (nmrStar names) not linked" rr_8psh 1
54 3 57 1 "Not handling restraint 57, item 1, resonance(s) '1.3.H8' (nmrStar names),'1.2.H3'' (nmrStar names) not linked" rr_8psh 1
55 3 58 1 "Not handling restraint 58, item 1, resonance(s) '1.3.H8' (nmrStar names),'1.3.H3'' (nmrStar names) not linked" rr_8psh 1
56 3 59 1 "Not handling restraint 59, item 1, resonance(s) '1.3.H8' (nmrStar names),'1.2.H5' (nmrStar names) not linked" rr_8psh 1
57 3 60 1 "Not handling restraint 60, item 1, resonance(s) '1.4.H1'' (nmrStar names),'1.4.H2'1' (nmrStar names) not linked" rr_8psh 1
58 3 61 1 "Not handling restraint 61, item 1, resonance(s) '1.4.H2'1' (nmrStar names),'1.4.H3'' (nmrStar names) not linked" rr_8psh 1
59 3 62 1 "Not handling restraint 62, item 1, resonance(s) '1.4.H6' (nmrStar names),'1.3.H1'' (nmrStar names) not linked" rr_8psh 1
60 3 63 1 "Not handling restraint 63, item 1, resonance(s) '1.4.H6' (nmrStar names),'1.3.H2'2' (nmrStar names) not linked" rr_8psh 1
61 3 64 1 "Not handling restraint 64, item 1, resonance(s) '1.4.H6' (nmrStar names),'1.4.H1'' (nmrStar names) not linked" rr_8psh 1
62 3 65 1 "Not handling restraint 65, item 1, resonance(s) '1.4.H6' (nmrStar names),'1.4.H2'2' (nmrStar names) not linked" rr_8psh 1
63 3 66 1 "Not handling restraint 66, item 1, resonance(s) '1.4.H6' (nmrStar names),'1.4.H3'' (nmrStar names) not linked" rr_8psh 1
64 3 67 1 "Not handling restraint 67, item 1, resonance(s) '1.4.C5M' (nmrStar names),'1.3.H3'' (nmrStar names) not linked" rr_8psh 1
65 3 68 1 "Not handling restraint 68, item 1, resonance(s) '1.3.H8' (nmrStar names),'1.4.C5M' (nmrStar names) not linked" rr_8psh 1
66 3 69 1 "Not handling restraint 69, item 1, resonance(s) '1.4.C5M' (nmrStar names),'1.3.H2'2' (nmrStar names) not linked" rr_8psh 1
67 3 70 1 "Not handling restraint 70, item 1, resonance(s) '1.4.H1'' (nmrStar names),'1.4.C5M' (nmrStar names) not linked" rr_8psh 1
68 3 71 1 "Not handling restraint 71, item 1, resonance(s) '1.4.C5M' (nmrStar names),'1.4.H2'1' (nmrStar names) not linked" rr_8psh 1
69 3 72 1 "Not handling restraint 72, item 1, resonance(s) '1.5.H1'' (nmrStar names),'1.5.H4'' (nmrStar names) not linked" rr_8psh 1
70 3 73 1 "Not handling restraint 73, item 1, resonance(s) '1.5.H1'' (nmrStar names),'1.5.H2'1' (nmrStar names) not linked" rr_8psh 1
71 3 74 1 "Not handling restraint 74, item 1, resonance(s) '1.5.H2'1' (nmrStar names),'1.5.H3'' (nmrStar names) not linked" rr_8psh 1
72 3 75 1 "Not handling restraint 75, item 1, resonance(s) '1.4.H1'' (nmrStar names),'1.5.H6' (nmrStar names) not linked" rr_8psh 1
73 3 76 1 "Not handling restraint 76, item 1, resonance(s) '1.4.H2'1' (nmrStar names),'1.5.H6' (nmrStar names) not linked" rr_8psh 1
74 3 77 1 "Not handling restraint 77, item 1, resonance(s) '1.4.H3'' (nmrStar names),'1.5.H6' (nmrStar names) not linked" rr_8psh 1
75 3 78 1 "Not handling restraint 78, item 1, resonance(s) '1.5.H1'' (nmrStar names),'1.5.H6' (nmrStar names) not linked" rr_8psh 1
76 3 79 1 "Not handling restraint 79, item 1, resonance(s) '1.5.H2'1' (nmrStar names),'1.5.H6' (nmrStar names) not linked" rr_8psh 1
77 3 80 1 "Not handling restraint 80, item 1, resonance(s) '1.5.H3'' (nmrStar names),'1.5.H6' (nmrStar names) not linked" rr_8psh 1
78 3 81 1 "Not handling restraint 81, item 1, resonance(s) '1.5.H5' (nmrStar names),'1.4.H2'1' (nmrStar names) not linked" rr_8psh 1
79 3 82 1 "Not handling restraint 82, item 1, resonance(s) '1.5.H5' (nmrStar names),'1.4.H2'2' (nmrStar names) not linked" rr_8psh 1
80 3 83 1 "Not handling restraint 83, item 1, resonance(s) '1.5.H5' (nmrStar names),'1.4.H3'' (nmrStar names) not linked" rr_8psh 1
81 3 84 1 "Not handling restraint 84, item 1, resonance(s) '1.4.H6' (nmrStar names),'1.5.H5' (nmrStar names) not linked" rr_8psh 1
82 3 85 1 "Not handling restraint 85, item 1, resonance(s) '1.5.H5' (nmrStar names),'1.4.C5M' (nmrStar names) not linked" rr_8psh 1
83 3 86 1 "Not handling restraint 86, item 1, resonance(s) '1.5.H1'' (nmrStar names),'1.5.H2'2' (nmrStar names) not linked" rr_8psh 1
84 3 87 1 "Not handling restraint 87, item 1, resonance(s) '1.5.H5' (nmrStar names),'1.5.H2'1' (nmrStar names) not linked" rr_8psh 1
85 3 88 1 "Not handling restraint 88, item 1, resonance(s) '1.5.H5' (nmrStar names),'1.5.H3'' (nmrStar names) not linked" rr_8psh 1
86 3 89 1 "Not handling restraint 89, item 1, resonance(s) '1.6.H1'' (nmrStar names),'1.6.H4'' (nmrStar names) not linked" rr_8psh 1
87 3 90 1 "Not handling restraint 90, item 1, resonance(s) '1.6.H1'' (nmrStar names),'1.6.H2'1' (nmrStar names) not linked" rr_8psh 1
88 3 91 1 "Not handling restraint 91, item 1, resonance(s) '1.6.H4'' (nmrStar names),'1.6.H3'' (nmrStar names) not linked" rr_8psh 1
89 3 92 1 "Not handling restraint 92, item 1, resonance(s) '1.6.H1'' (nmrStar names),'1.6.H3'' (nmrStar names) not linked" rr_8psh 1
90 3 93 1 "Not handling restraint 93, item 1, resonance(s) '1.6.H2'1' (nmrStar names),'1.6.H3'' (nmrStar names) not linked" rr_8psh 1
91 3 94 1 "Not handling restraint 94, item 1, resonance(s) '1.5.H1'' (nmrStar names),'1.6.H8' (nmrStar names) not linked" rr_8psh 1
92 3 95 1 "Not handling restraint 95, item 1, resonance(s) '1.5.H2'1' (nmrStar names),'1.6.H8' (nmrStar names) not linked" rr_8psh 1
93 3 96 1 "Not handling restraint 96, item 1, resonance(s) '1.5.H3'' (nmrStar names),'1.6.H8' (nmrStar names) not linked" rr_8psh 1
94 3 97 1 "Not handling restraint 97, item 1, resonance(s) '1.5.H6' (nmrStar names),'1.6.H8' (nmrStar names) not linked" rr_8psh 1
95 3 98 1 "Not handling restraint 98, item 1, resonance(s) '1.5.H2'2' (nmrStar names),'1.6.H8' (nmrStar names) not linked" rr_8psh 1
96 3 99 1 "Not handling restraint 99, item 1, resonance(s) '1.6.H4'' (nmrStar names),'1.6.H8' (nmrStar names) not linked" rr_8psh 1
97 3 100 1 "Not handling restraint 100, item 1, resonance(s) '1.6.H1'' (nmrStar names),'1.6.H8' (nmrStar names) not linked" rr_8psh 1
98 3 101 1 "Not handling restraint 101, item 1, resonance(s) '1.6.H2'1' (nmrStar names),'1.6.H8' (nmrStar names) not linked" rr_8psh 1
99 3 102 1 "Not handling restraint 102, item 1, resonance(s) '1.6.H3'' (nmrStar names),'1.6.H8' (nmrStar names) not linked" rr_8psh 1
100 3 103 1 "Not handling restraint 103, item 1, resonance(s) '1.6.H2' (nmrStar names),'1.6.H1'' (nmrStar names) not linked" rr_8psh 1
101 3 104 1 "Not handling restraint 104, item 1, resonance(s) '1.6.H1'' (nmrStar names),'1.6.H2'2' (nmrStar names) not linked" rr_8psh 1
102 3 105 1 "Not handling restraint 105, item 1, resonance(s) '1.6.H3'' (nmrStar names),'1.6.H2'2' (nmrStar names) not linked" rr_8psh 1
103 3 106 1 "Not handling restraint 106, item 1, resonance(s) '1.6.H8' (nmrStar names),'1.6.H2'2' (nmrStar names) not linked" rr_8psh 1
104 3 107 1 "Not handling restraint 107, item 1, resonance(s) '1.6.H8' (nmrStar names),'1.6.H5'1' (nmrStar names) not linked" rr_8psh 1
105 3 108 1 "Not handling restraint 108, item 1, resonance(s) '1.6.H8' (nmrStar names),'1.6.H5'2' (nmrStar names) not linked" rr_8psh 1
106 3 109 1 "Not handling restraint 109, item 1, resonance(s) '1.6.H2' (nmrStar names),'1.7.H1'' (nmrStar names) not linked" rr_8psh 1
107 3 110 1 "Not handling restraint 110, item 1, resonance(s) '1.7.H1'' (nmrStar names),'1.7.H4'' (nmrStar names) not linked" rr_8psh 1
108 3 111 1 "Not handling restraint 111, item 1, resonance(s) '1.7.H1'' (nmrStar names),'1.7.H2'1' (nmrStar names) not linked" rr_8psh 1
109 3 112 1 "Not handling restraint 112, item 1, resonance(s) '1.7.H2'1' (nmrStar names),'1.7.H3'' (nmrStar names) not linked" rr_8psh 1
110 3 113 1 "Not handling restraint 113, item 1, resonance(s) '1.6.H1'' (nmrStar names),'1.7.H8' (nmrStar names) not linked" rr_8psh 1
111 3 114 1 "Not handling restraint 114, item 1, resonance(s) '1.6.H3'' (nmrStar names),'1.7.H8' (nmrStar names) not linked" rr_8psh 1
112 3 115 1 "Not handling restraint 115, item 1, resonance(s) '1.7.H8' (nmrStar names),'1.7.C5'' (nmrStar names) not linked" rr_8psh 1
113 3 116 1 "Not handling restraint 116, item 1, resonance(s) '1.6.H2'2' (nmrStar names),'1.7.H8' (nmrStar names) not linked" rr_8psh 1
114 3 117 1 "Not handling restraint 117, item 1, resonance(s) '1.6.H8' (nmrStar names),'1.7.H8' (nmrStar names) not linked" rr_8psh 1
115 3 118 1 "Not handling restraint 118, item 1, resonance(s) '1.7.H1'' (nmrStar names),'1.7.H8' (nmrStar names) not linked" rr_8psh 1
116 3 119 1 "Not handling restraint 119, item 1, resonance(s) '1.7.H2'1' (nmrStar names),'1.7.H8' (nmrStar names) not linked" rr_8psh 1
117 3 120 1 "Not handling restraint 120, item 1, resonance(s) '1.7.H3'' (nmrStar names),'1.7.H8' (nmrStar names) not linked" rr_8psh 1
118 3 121 1 "Not handling restraint 121, item 1, resonance(s) '1.7.H1'' (nmrStar names),'1.7.H2'2' (nmrStar names) not linked" rr_8psh 1
119 3 122 1 "Not handling restraint 122, item 1, resonance(s) '1.8.H1'' (nmrStar names),'1.8.H4'' (nmrStar names) not linked" rr_8psh 1
120 3 123 1 "Not handling restraint 123, item 1, resonance(s) '1.8.H1'' (nmrStar names),'1.8.H2'1' (nmrStar names) not linked" rr_8psh 1
121 3 124 1 "Not handling restraint 124, item 1, resonance(s) '1.8.H1'' (nmrStar names),'1.8.H3'' (nmrStar names) not linked" rr_8psh 1
122 3 125 1 "Not handling restraint 125, item 1, resonance(s) '1.8.H2'1' (nmrStar names),'1.8.H3'' (nmrStar names) not linked" rr_8psh 1
123 3 126 1 "Not handling restraint 126, item 1, resonance(s) '1.7.H1'' (nmrStar names),'1.8.H8' (nmrStar names) not linked" rr_8psh 1
124 3 127 1 "Not handling restraint 127, item 1, resonance(s) '1.8.H1'' (nmrStar names),'1.8.H8' (nmrStar names) not linked" rr_8psh 1
125 3 128 1 "Not handling restraint 128, item 1, resonance(s) '1.8.H2'1' (nmrStar names),'1.8.H8' (nmrStar names) not linked" rr_8psh 1
126 3 129 1 "Not handling restraint 129, item 1, resonance(s) '1.8.H3'' (nmrStar names),'1.8.H8' (nmrStar names) not linked" rr_8psh 1
127 3 130 1 "Not handling restraint 130, item 1, resonance(s) '1.8.H1'' (nmrStar names),'1.8.H2'2' (nmrStar names) not linked" rr_8psh 1
128 3 131 1 "Not handling restraint 131, item 1, resonance(s) '1.8.H3'' (nmrStar names),'1.8.H2'2' (nmrStar names) not linked" rr_8psh 1
129 3 132 1 "Not handling restraint 132, item 1, resonance(s) '1.8.H8' (nmrStar names),'1.8.H2'2' (nmrStar names) not linked" rr_8psh 1
130 3 142 1 "Not handling restraint 142, item 1, resonance(s) '1.6.H2' (nmrStar names) not linked" rr_8psh 1
131 3 147 1 "Not handling restraint 147, item 1, resonance(s) '1.6.H2' (nmrStar names) not linked" rr_8psh 1
132 3 149 1 "Not handling restraint 149, item 1, resonance(s) '1.6.H2' (nmrStar names) not linked" rr_8psh 1
133 3 155 1 "Not handling restraint 155, item 1, resonance(s) '1.5.H1'' (nmrStar names) not linked" rr_8psh 1
134 3 172 1 "Not handling restraint 172, item 1, resonance(s) '1.15.H2'' (nmrStar names) not linked" rr_8psh 1
135 3 174 1 "Not handling restraint 174, item 1, resonance(s) '1.15.H2'' (nmrStar names) not linked" rr_8psh 1
136 3 181 1 "Not handling restraint 181, item 1, resonance(s) '1.15.H2'' (nmrStar names) not linked" rr_8psh 1
stop_
save_
save_Discover_distance_constraints_2
_Gen_dist_constraint_list.Sf_category general_distance_constraints
_Gen_dist_constraint_list.Sf_framecode Discover_distance_constraints_2
_Gen_dist_constraint_list.Entry_ID rr_8psh
_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_8psh 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 distance 1 1 1 9 rr_8psh 2
stop_
loop_
_Gen_dist_constraint_conv_err.ID
_Gen_dist_constraint_conv_err.Gen_dist_constraint_parse_file_ID
_Gen_dist_constraint_conv_err.Parse_file_constraint_ID
_Gen_dist_constraint_conv_err.Conv_error_type
_Gen_dist_constraint_conv_err.Conv_error_note
_Gen_dist_constraint_conv_err.Entry_ID
_Gen_dist_constraint_conv_err.Gen_dist_constraint_list_ID
1 2 1 1 "Not handling restraint 1, item 1, resonance(s) '1.1.O6' (nmrStar names) not linked" rr_8psh 2
2 2 2 1 "Not handling restraint 2, item 1, resonance(s) '1.1.N1' (nmrStar names) not linked" rr_8psh 2
3 2 3 1 "Not handling restraint 3, item 1, resonance(s) '1.1.N2' (nmrStar names) not linked" rr_8psh 2
4 2 4 1 "Not handling restraint 4, item 1, resonance(s) '1.2.N4' (nmrStar names) not linked" rr_8psh 2
5 2 5 1 "Not handling restraint 5, item 1, resonance(s) '1.2.N3' (nmrStar names) not linked" rr_8psh 2
6 2 6 1 "Not handling restraint 6, item 1, resonance(s) '1.2.O2' (nmrStar names) not linked" rr_8psh 2
7 2 7 1 "Not handling restraint 7, item 1, resonance(s) '1.3.O6' (nmrStar names) not linked" rr_8psh 2
8 2 8 1 "Not handling restraint 8, item 1, resonance(s) '1.3.N1' (nmrStar names) not linked" rr_8psh 2
9 2 9 1 "Not handling restraint 9, item 1, resonance(s) '1.3.N2' (nmrStar names) not linked" rr_8psh 2
10 2 10 1 "Not handling restraint 10, item 1, resonance(s) '1.4.N3' (nmrStar names) not linked" rr_8psh 2
11 2 11 1 "Not handling restraint 11, item 1, resonance(s) '1.4.O4' (nmrStar names) not linked" rr_8psh 2
12 2 12 1 "Not handling restraint 12, item 1, resonance(s) '1.5.N4' (nmrStar names) not linked" rr_8psh 2
13 2 13 1 "Not handling restraint 13, item 1, resonance(s) '1.5.N3' (nmrStar names) not linked" rr_8psh 2
14 2 14 1 "Not handling restraint 14, item 1, resonance(s) '1.5.O2' (nmrStar names) not linked" rr_8psh 2
15 2 15 1 "Not handling restraint 15, item 1, resonance(s) '1.6.N1' (nmrStar names) not linked" rr_8psh 2
16 2 16 1 "Not handling restraint 16, item 1, resonance(s) '1.6.N6' (nmrStar names) not linked" rr_8psh 2
17 2 17 1 "Not handling restraint 17, item 1, resonance(s) '1.7.O6' (nmrStar names) not linked" rr_8psh 2
18 2 18 1 "Not handling restraint 18, item 1, resonance(s) '1.7.N1' (nmrStar names) not linked" rr_8psh 2
19 2 19 1 "Not handling restraint 19, item 1, resonance(s) '1.7.N2' (nmrStar names) not linked" rr_8psh 2
20 2 20 1 "Not handling restraint 20, item 1, resonance(s) '1.8.O6' (nmrStar names) not linked" rr_8psh 2
21 2 21 1 "Not handling restraint 21, item 1, resonance(s) '1.8.N1' (nmrStar names) not linked" rr_8psh 2
22 2 22 1 "Not handling restraint 22, item 1, resonance(s) '1.8.N2' (nmrStar names) not linked" rr_8psh 2
stop_
save_
save_Discover_distance_constraints_3_1
_Distance_constraint_list.Sf_category distance_constraints
_Distance_constraint_list.Sf_framecode Discover_distance_constraints_3_1
_Distance_constraint_list.Entry_ID rr_8psh
_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_8psh 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_8psh 1
2 1 . . . rr_8psh 1
3 1 . . . rr_8psh 1
4 1 . . . rr_8psh 1
5 1 . . . rr_8psh 1
6 1 . . . rr_8psh 1
7 1 . . . rr_8psh 1
8 1 . . . rr_8psh 1
9 1 . . . rr_8psh 1
10 1 . . . rr_8psh 1
11 1 . . . rr_8psh 1
12 1 . . . rr_8psh 1
13 1 . . . rr_8psh 1
14 1 . . . rr_8psh 1
15 1 . . . rr_8psh 1
16 1 . . . rr_8psh 1
17 1 . . . rr_8psh 1
18 1 . . . rr_8psh 1
19 1 . . . rr_8psh 1
20 1 . . . rr_8psh 1
21 1 . . . rr_8psh 1
22 1 . . . rr_8psh 1
23 1 . . . rr_8psh 1
24 1 . . . rr_8psh 1
25 1 . . . rr_8psh 1
26 1 . . . rr_8psh 1
27 1 . . . rr_8psh 1
28 1 . . . rr_8psh 1
29 1 . . . rr_8psh 1
30 1 . . . rr_8psh 1
31 1 . . . rr_8psh 1
32 1 . . . rr_8psh 1
33 1 . . . rr_8psh 1
34 1 . . . rr_8psh 1
35 1 . . . rr_8psh 1
36 1 . . . rr_8psh 1
37 1 . . . rr_8psh 1
38 1 . . . rr_8psh 1
39 1 . . . rr_8psh 1
40 1 . . . rr_8psh 1
41 1 . . . rr_8psh 1
42 1 . . . rr_8psh 1
43 1 . . . rr_8psh 1
44 1 . . . rr_8psh 1
45 1 . . . rr_8psh 1
46 1 . . . rr_8psh 1
47 1 . . . rr_8psh 1
48 1 . . . rr_8psh 1
stop_
loop_
_Dist_constraint.Tree_node_member_constraint_ID
_Dist_constraint.Tree_node_member_node_ID
_Dist_constraint.Contribution_fractional_val
_Dist_constraint.Constraint_tree_node_member_ID
_Dist_constraint.Assembly_atom_ID
_Dist_constraint.Entity_assembly_ID
_Dist_constraint.Entity_ID
_Dist_constraint.Comp_index_ID
_Dist_constraint.Seq_ID
_Dist_constraint.Comp_ID
_Dist_constraint.Atom_ID
_Dist_constraint.Atom_type
_Dist_constraint.Atom_isotope_number
_Dist_constraint.Resonance_ID
_Dist_constraint.Auth_asym_ID
_Dist_constraint.Auth_entity_assembly_ID
_Dist_constraint.Auth_seq_ID
_Dist_constraint.Auth_comp_ID
_Dist_constraint.Auth_atom_ID
_Dist_constraint.Entry_ID
_Dist_constraint.Distance_constraint_list_ID
1 1 . 1 . 2 2 3 3 U H3 H . . 1 . 11 U H3 rr_8psh 1
1 1 . 2 . 2 2 4 4 G H1' H . . 1 . 12 G H1' rr_8psh 1
2 1 . 1 . 2 2 4 4 G H1 H . . 1 . 12 G H1 rr_8psh 1
2 1 . 2 . 2 2 5 5 A H1' H . . 1 . 13 A H1' rr_8psh 1
3 1 . 1 . 2 2 4 4 G H1 H . . 1 . 12 G H1 rr_8psh 1
3 1 . 2 . 2 2 3 3 U H3 H . . 1 . 11 U H3 rr_8psh 1
4 1 . 1 . 2 2 1 1 C H4' H . . 1 . 9 C H4' rr_8psh 1
4 1 . 2 . 2 2 1 1 C H1' H . . 1 . 9 C H1' rr_8psh 1
5 1 . 1 . 2 2 1 1 C H1' H . . 1 . 9 C H1' rr_8psh 1
5 1 . 2 . 2 2 1 1 C H2' H . . 1 . 9 C H2' rr_8psh 1
6 1 . 1 . 2 2 1 1 C H4' H . . 1 . 9 C H4' rr_8psh 1
6 1 . 2 . 2 2 1 1 C H6 H . . 1 . 9 C H6 rr_8psh 1
7 1 . 1 . 2 2 2 2 C H1' H . . 1 . 10 C H1' rr_8psh 1
7 1 . 2 . 2 2 2 2 C H2' H . . 1 . 10 C H2' rr_8psh 1
8 1 . 1 . 2 2 1 1 C H1' H . . 1 . 9 C H1' rr_8psh 1
8 1 . 2 . 2 2 2 2 C H5 H . . 1 . 10 C H5 rr_8psh 1
9 1 . 1 . 2 2 1 1 C H2' H . . 1 . 9 C H2' rr_8psh 1
9 1 . 2 . 2 2 2 2 C H5 H . . 1 . 10 C H5 rr_8psh 1
10 1 . 1 . 2 2 1 1 C H3' H . . 1 . 9 C H3' rr_8psh 1
10 1 . 2 . 2 2 2 2 C H5 H . . 1 . 10 C H5 rr_8psh 1
11 1 . 1 . 2 2 1 1 C H5' H . . 1 . 9 C H5'1 rr_8psh 1
11 1 . 2 . 2 2 1 1 C H6 H . . 1 . 9 C H6 rr_8psh 1
12 1 . 1 . 2 2 2 2 C H2' H . . 1 . 10 C H2' rr_8psh 1
12 1 . 2 . 2 2 2 2 C H5 H . . 1 . 10 C H5 rr_8psh 1
13 1 . 1 . 2 2 3 3 U H4' H . . 1 . 11 U H4' rr_8psh 1
13 1 . 2 . 2 2 3 3 U H2' H . . 1 . 11 U H2' rr_8psh 1
14 1 . 1 . 2 2 3 3 U H1' H . . 1 . 11 U H1' rr_8psh 1
14 1 . 2 . 2 2 3 3 U H2' H . . 1 . 11 U H2' rr_8psh 1
15 1 . 1 . 2 2 2 2 C H5 H . . 1 . 10 C H5 rr_8psh 1
15 1 . 2 . 2 2 3 3 U H6 H . . 1 . 11 U H6 rr_8psh 1
16 1 . 1 . 2 2 3 3 U H2' H . . 1 . 11 U H2' rr_8psh 1
16 1 . 2 . 2 2 3 3 U H6 H . . 1 . 11 U H6 rr_8psh 1
17 1 . 1 . 2 2 3 3 U H2' H . . 1 . 11 U H2' rr_8psh 1
17 1 . 2 . 2 2 4 4 G H1' H . . 1 . 12 G H1' rr_8psh 1
18 1 . 1 . 2 2 3 3 U H1' H . . 1 . 11 U H1' rr_8psh 1
18 1 . 2 . 2 2 4 4 G H8 H . . 1 . 12 G H8 rr_8psh 1
19 1 . 1 . 2 2 3 3 U H2' H . . 1 . 11 U H2' rr_8psh 1
19 1 . 2 . 2 2 4 4 G H8 H . . 1 . 12 G H8 rr_8psh 1
20 1 . 1 . 2 2 4 4 G H1' H . . 1 . 12 G H1' rr_8psh 1
20 1 . 2 . 2 2 4 4 G H8 H . . 1 . 12 G H8 rr_8psh 1
21 1 . 1 . 2 2 4 4 G H1' H . . 1 . 12 G H1' rr_8psh 1
21 1 . 2 . 2 2 5 5 A H8 H . . 1 . 13 A H8 rr_8psh 1
22 1 . 1 . 2 2 5 5 A H1' H . . 1 . 13 A H1' rr_8psh 1
22 1 . 2 . 2 2 5 5 A H8 H . . 1 . 13 A H8 rr_8psh 1
23 1 . 1 . 2 2 5 5 A H1' H . . 1 . 13 A H1' rr_8psh 1
23 1 . 2 . 2 2 5 5 A H2 H . . 1 . 13 A H2 rr_8psh 1
24 1 . 1 . 2 2 5 5 A H2' H . . 1 . 13 A H2' rr_8psh 1
24 1 . 2 . 2 2 6 6 C H1' H . . 1 . 14 C H1' rr_8psh 1
25 1 . 1 . 2 2 5 5 A H2 H . . 1 . 13 A H2 rr_8psh 1
25 1 . 2 . 2 2 6 6 C H1' H . . 1 . 14 C H1' rr_8psh 1
26 1 . 1 . 2 2 5 5 A H1' H . . 1 . 13 A H1' rr_8psh 1
26 1 . 2 . 2 2 6 6 C H6 H . . 1 . 14 C H6 rr_8psh 1
27 1 . 1 . 2 2 5 5 A H8 H . . 1 . 13 A H8 rr_8psh 1
27 1 . 2 . 2 2 6 6 C H6 H . . 1 . 14 C H6 rr_8psh 1
28 1 . 1 . 2 2 6 6 C H1' H . . 1 . 14 C H1' rr_8psh 1
28 1 . 2 . 2 2 6 6 C H6 H . . 1 . 14 C H6 rr_8psh 1
29 1 . 1 . 2 2 6 6 C H5' H . . 1 . 14 C H5'1 rr_8psh 1
29 1 . 2 . 2 2 6 6 C H6 H . . 1 . 14 C H6 rr_8psh 1
30 1 . 1 . 2 2 6 6 C H5'' H . . 1 . 14 C H5'2 rr_8psh 1
30 1 . 2 . 2 2 6 6 C H6 H . . 1 . 14 C H6 rr_8psh 1
31 1 . 1 . 2 2 5 5 A H2' H . . 1 . 13 A H2' rr_8psh 1
31 1 . 2 . 2 2 6 6 C H5 H . . 1 . 14 C H5 rr_8psh 1
32 1 . 1 . 2 2 5 5 A H8 H . . 1 . 13 A H8 rr_8psh 1
32 1 . 2 . 2 2 6 6 C H5 H . . 1 . 14 C H5 rr_8psh 1
33 1 . 1 . 2 2 6 6 C H1' H . . 1 . 14 C H1' rr_8psh 1
33 1 . 2 . 1 1 1 1 DG H1' H . . 1 . 15 G H1' rr_8psh 1
34 1 . 1 . 1 1 1 1 DG H4' H . . 1 . 15 G H4' rr_8psh 1
34 1 . 2 . 1 1 1 1 DG H1' H . . 1 . 15 G H1' rr_8psh 1
35 1 . 1 . 2 2 6 6 C H1' H . . 1 . 14 C H1' rr_8psh 1
35 1 . 2 . 1 1 1 1 DG H8 H . . 1 . 15 G H8 rr_8psh 1
36 1 . 1 . 2 2 6 6 C H6 H . . 1 . 14 C H6 rr_8psh 1
36 1 . 2 . 1 1 1 1 DG H8 H . . 1 . 15 G H8 rr_8psh 1
37 1 . 1 . 1 1 1 1 DG H1' H . . 1 . 15 G H1' rr_8psh 1
37 1 . 2 . 1 1 1 1 DG H8 H . . 1 . 15 G H8 rr_8psh 1
38 1 . 1 . 1 1 1 1 DG H3' H . . 1 . 15 G H3' rr_8psh 1
38 1 . 2 . 1 1 1 1 DG H8 H . . 1 . 15 G H8 rr_8psh 1
39 1 . 1 . 1 1 1 1 DG H1' H . . 1 . 15 G H1' rr_8psh 1
39 1 . 2 . 1 1 2 2 SC H6 H . . 1 . 16 C H6 rr_8psh 1
40 1 . 1 . 1 1 1 1 DG H3' H . . 1 . 15 G H3' rr_8psh 1
40 1 . 2 . 1 1 2 2 SC H6 H . . 1 . 16 C H6 rr_8psh 1
41 1 . 1 . 1 1 1 1 DG H5' H . . 1 . 15 G H5'1 rr_8psh 1
41 1 . 2 . 1 1 1 1 DG H8 H . . 1 . 15 G H8 rr_8psh 1
42 1 . 1 . 1 1 1 1 DG H5'' H . . 1 . 15 G H5'2 rr_8psh 1
42 1 . 2 . 1 1 1 1 DG H8 H . . 1 . 15 G H8 rr_8psh 1
43 1 . 1 . 1 1 2 2 SC H1' H . . 1 . 16 C H1' rr_8psh 1
43 1 . 2 . 1 1 2 2 SC H6 H . . 1 . 16 C H6 rr_8psh 1
44 1 . 1 . 1 1 2 2 SC H3' H . . 1 . 16 C H3' rr_8psh 1
44 1 . 2 . 1 1 2 2 SC H6 H . . 1 . 16 C H6 rr_8psh 1
45 1 . 1 . 1 1 1 1 DG H1' H . . 1 . 15 G H1' rr_8psh 1
45 1 . 2 . 1 1 2 2 SC H5 H . . 1 . 16 C H5 rr_8psh 1
46 1 . 1 . 1 1 1 1 DG H3' H . . 1 . 15 G H3' rr_8psh 1
46 1 . 2 . 1 1 2 2 SC H5 H . . 1 . 16 C H5 rr_8psh 1
47 1 . 1 . 1 1 2 2 SC H1' H . . 1 . 16 C H1' rr_8psh 1
47 1 . 2 . 1 1 2 2 SC H5 H . . 1 . 16 C H5 rr_8psh 1
48 1 . 1 . 1 1 2 2 SC H3' H . . 1 . 16 C H3' rr_8psh 1
48 1 . 2 . 1 1 2 2 SC H5 H . . 1 . 16 C H5 rr_8psh 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 . . . . . . . 1.80 5.79 rr_8psh 1
2 1 . . . . . . . 1.80 4.42 rr_8psh 1
3 1 . . . . . . . 1.80 7.30 rr_8psh 1
4 1 . . . . . . . 3.32 3.95 rr_8psh 1
5 1 . . . . . . . 2.27 2.98 rr_8psh 1
6 1 . . . . . . . 3.15 3.83 rr_8psh 1
7 1 . . . . . . . 2.26 2.60 rr_8psh 1
8 1 . . . . . . . 2.94 5.60 rr_8psh 1
9 1 . . . . . . . 2.51 3.72 rr_8psh 1
10 1 . . . . . . . 3.04 3.36 rr_8psh 1
11 1 . . . . . . . 2.30 4.65 rr_8psh 1
12 1 . . . . . . . 3.85 5.12 rr_8psh 1
13 1 . . . . . . . 2.81 3.54 rr_8psh 1
14 1 . . . . . . . 2.34 2.70 rr_8psh 1
15 1 . . . . . . . 4.08 10.00 rr_8psh 1
16 1 . . . . . . . 3.02 3.45 rr_8psh 1
17 1 . . . . . . . 3.35 3.74 rr_8psh 1
18 1 . . . . . . . 3.35 4.59 rr_8psh 1
19 1 . . . . . . . 2.30 2.58 rr_8psh 1
20 1 . . . . . . . 3.50 3.92 rr_8psh 1
21 1 . . . . . . . 3.16 3.98 rr_8psh 1
22 1 . . . . . . . 3.38 3.81 rr_8psh 1
23 1 . . . . . . . 4.35 4.92 rr_8psh 1
24 1 . . . . . . . 3.17 4.32 rr_8psh 1
25 1 . . . . . . . 2.93 3.47 rr_8psh 1
26 1 . . . . . . . 3.48 4.75 rr_8psh 1
27 1 . . . . . . . 3.74 5.23 rr_8psh 1
28 1 . . . . . . . 3.23 3.57 rr_8psh 1
29 1 . . . . . . . 2.86 3.57 rr_8psh 1
30 1 . . . . . . . 2.86 3.57 rr_8psh 1
31 1 . . . . . . . 2.80 4.48 rr_8psh 1
32 1 . . . . . . . 3.94 4.65 rr_8psh 1
33 1 . . . . . . . 4.49 5.07 rr_8psh 1
34 1 . . . . . . . 2.87 3.17 rr_8psh 1
35 1 . . . . . . . 3.36 4.39 rr_8psh 1
36 1 . . . . . . . 3.41 5.28 rr_8psh 1
37 1 . . . . . . . 3.23 3.78 rr_8psh 1
38 1 . . . . . . . 2.55 2.90 rr_8psh 1
39 1 . . . . . . . 3.41 4.21 rr_8psh 1
40 1 . . . . . . . 2.81 3.18 rr_8psh 1
41 1 . . . . . . . 2.95 4.40 rr_8psh 1
42 1 . . . . . . . 2.95 4.40 rr_8psh 1
43 1 . . . . . . . 3.23 3.57 rr_8psh 1
44 1 . . . . . . . 2.17 2.49 rr_8psh 1
45 1 . . . . . . . 3.30 4.40 rr_8psh 1
46 1 . . . . . . . 3.31 3.75 rr_8psh 1
47 1 . . . . . . . 3.33 6.05 rr_8psh 1
48 1 . . . . . . . 3.42 4.77 rr_8psh 1
stop_
loop_
_Dist_constraint_conv_err.ID
_Dist_constraint_conv_err.Dist_constraint_parse_file_ID
_Dist_constraint_conv_err.Parse_file_constraint_ID
_Dist_constraint_conv_err.Conv_error_type
_Dist_constraint_conv_err.Conv_error_note
_Dist_constraint_conv_err.Entry_ID
_Dist_constraint_conv_err.Distance_constraint_list_ID
1 3 1 1 "Not handling restraint 1, item 1, resonance(s) '1.4.H3' (nmrStar names) not linked" rr_8psh 1
2 3 2 1 "Not handling restraint 2, item 1, resonance(s) '1.4.H3' (nmrStar names),'1.3.H8' (nmrStar names) not linked" rr_8psh 1
3 3 3 1 "Not handling restraint 3, item 1, resonance(s) '1.4.H3' (nmrStar names),'1.4.H6' (nmrStar names) not linked" rr_8psh 1
4 3 4 1 "Not handling restraint 4, item 1, resonance(s) '1.4.H3' (nmrStar names),'1.5.H42' (nmrStar names) not linked" rr_8psh 1
5 3 5 1 "Not handling restraint 5, item 1, resonance(s) '1.4.H3' (nmrStar names),'1.4.H1'' (nmrStar names) not linked" rr_8psh 1
6 3 6 1 "Not handling restraint 6, item 1, resonance(s) '1.4.H3' (nmrStar names),'1.5.H1'' (nmrStar names) not linked" rr_8psh 1
7 3 7 1 "Not handling restraint 7, item 1, resonance(s) '1.4.H3' (nmrStar names),'1.5.H5' (nmrStar names) not linked" rr_8psh 1
8 3 8 1 "Not handling restraint 8, item 1, resonance(s) '1.4.H3' (nmrStar names) not linked" rr_8psh 1
9 3 9 1 "Not handling restraint 9, item 1, resonance(s) '1.4.H3' (nmrStar names),'1.4.C5M' (nmrStar names) not linked" rr_8psh 1
10 3 10 1 "Not handling restraint 10, item 1, resonance(s) '1.6.H2' (nmrStar names) not linked" rr_8psh 1
11 3 12 1 "Not handling restraint 12, item 1, resonance(s) '1.7.H1' (nmrStar names) not linked" rr_8psh 1
12 3 13 1 "Not handling restraint 13, item 1, resonance(s) '1.7.H1' (nmrStar names) not linked" rr_8psh 1
13 3 14 1 "Not handling restraint 14, item 1, resonance(s) '1.6.H2' (nmrStar names),'1.7.H1' (nmrStar names) not linked" rr_8psh 1
14 3 15 1 "Not handling restraint 15, item 1, resonance(s) '1.7.H1' (nmrStar names),'1.8.H1'' (nmrStar names) not linked" rr_8psh 1
15 3 16 1 "Not handling restraint 16, item 1, resonance(s) '1.7.H1' (nmrStar names) not linked" rr_8psh 1
16 3 17 1 "Not handling restraint 17, item 1, resonance(s) '1.2.H41' (nmrStar names) not linked" rr_8psh 1
17 3 18 1 "Not handling restraint 18, item 1, resonance(s) '1.3.H1' (nmrStar names) not linked" rr_8psh 1
18 3 19 1 "Not handling restraint 19, item 1, resonance(s) '1.2.H5' (nmrStar names) not linked" rr_8psh 1
19 3 20 1 "Not handling restraint 20, item 1, resonance(s) '1.5.H41' (nmrStar names) not linked" rr_8psh 1
20 3 21 1 "Not handling restraint 21, item 1, resonance(s) '1.5.H42' (nmrStar names) not linked" rr_8psh 1
21 3 22 1 "Not handling restraint 22, item 1, resonance(s) '1.6.H1'' (nmrStar names) not linked" rr_8psh 1
22 3 25 1 "Not handling restraint 25, item 1, resonance(s) '1.4.H3' (nmrStar names) not linked" rr_8psh 1
23 3 26 1 "Not handling restraint 26, item 1, resonance(s) '1.4.H3' (nmrStar names),'1.3.H1' (nmrStar names) not linked" rr_8psh 1
24 3 27 1 "Not handling restraint 27, item 1, resonance(s) '1.7.H1' (nmrStar names) not linked" rr_8psh 1
25 3 28 1 "Not handling restraint 28, item 1, resonance(s) '1.4.H3' (nmrStar names) not linked" rr_8psh 1
26 3 29 1 "Not handling restraint 29, item 1, resonance(s) '1.7.H1' (nmrStar names) not linked" rr_8psh 1
27 3 30 1 "Not handling restraint 30, item 1, resonance(s) '1.7.H1' (nmrStar names) not linked" rr_8psh 1
28 3 31 1 "Not handling restraint 31, item 1, resonance(s) '1.4.C5M' (nmrStar names),'1.5.H41' (nmrStar names) not linked" rr_8psh 1
29 3 32 1 "Not handling restraint 32, item 1, resonance(s) '1.16.H42' (nmrStar names) not linked" rr_8psh 1
30 3 33 1 "Not handling restraint 33, item 1, resonance(s) '1.5.H42' (nmrStar names),'1.4.C5M' (nmrStar names) not linked" rr_8psh 1
31 3 34 1 "Not handling restraint 34, item 1, resonance(s) '1.1.H4'' (nmrStar names),'1.1.H5'1' (nmrStar names) not linked" rr_8psh 1
32 3 35 1 "Not handling restraint 35, item 1, resonance(s) '1.1.H4'' (nmrStar names),'1.1.H5'2' (nmrStar names) not linked" rr_8psh 1
33 3 36 1 "Not handling restraint 36, item 1, resonance(s) '1.1.H1'' (nmrStar names),'1.1.H2'1' (nmrStar names) not linked" rr_8psh 1
34 3 37 1 "Not handling restraint 37, item 1, resonance(s) '1.1.H5'1' (nmrStar names),'1.1.H3'' (nmrStar names) not linked" rr_8psh 1
35 3 38 1 "Not handling restraint 38, item 1, resonance(s) '1.1.H5'2' (nmrStar names),'1.1.H3'' (nmrStar names) not linked" rr_8psh 1
36 3 39 1 "Not handling restraint 39, item 1, resonance(s) '1.1.H2'1' (nmrStar names),'1.1.H3'' (nmrStar names) not linked" rr_8psh 1
37 3 40 1 "Not handling restraint 40, item 1, resonance(s) '1.1.H5'2' (nmrStar names),'1.1.H8' (nmrStar names) not linked" rr_8psh 1
38 3 41 1 "Not handling restraint 41, item 1, resonance(s) '1.1.H1'' (nmrStar names),'1.1.H8' (nmrStar names) not linked" rr_8psh 1
39 3 42 1 "Not handling restraint 42, item 1, resonance(s) '1.1.H2'1' (nmrStar names),'1.1.H8' (nmrStar names) not linked" rr_8psh 1
40 3 43 1 "Not handling restraint 43, item 1, resonance(s) '1.1.H3'' (nmrStar names),'1.1.H8' (nmrStar names) not linked" rr_8psh 1
41 3 44 1 "Not handling restraint 44, item 1, resonance(s) '1.1.H8' (nmrStar names),'1.1.H2'2' (nmrStar names) not linked" rr_8psh 1
42 3 45 1 "Not handling restraint 45, item 1, resonance(s) '1.2.H4'' (nmrStar names),'1.2.H1'' (nmrStar names) not linked" rr_8psh 1
43 3 46 1 "Not handling restraint 46, item 1, resonance(s) '1.2.H4'' (nmrStar names),'1.2.H2'2' (nmrStar names) not linked" rr_8psh 1
44 3 47 1 "Not handling restraint 47, item 1, resonance(s) '1.1.H1'' (nmrStar names),'1.2.H6' (nmrStar names) not linked" rr_8psh 1
45 3 48 1 "Not handling restraint 48, item 1, resonance(s) '1.1.H2'1' (nmrStar names),'1.2.H6' (nmrStar names) not linked" rr_8psh 1
46 3 49 1 "Not handling restraint 49, item 1, resonance(s) '1.2.H1'' (nmrStar names),'1.2.H6' (nmrStar names) not linked" rr_8psh 1
47 3 50 1 "Not handling restraint 50, item 1, resonance(s) '1.2.H2'2' (nmrStar names),'1.2.H6' (nmrStar names) not linked" rr_8psh 1
48 3 51 1 "Not handling restraint 51, item 1, resonance(s) '1.2.H5' (nmrStar names),'1.1.H1'' (nmrStar names) not linked" rr_8psh 1
49 3 52 1 "Not handling restraint 52, item 1, resonance(s) '1.2.H5' (nmrStar names),'1.1.H2'1' (nmrStar names) not linked" rr_8psh 1
50 3 53 1 "Not handling restraint 53, item 1, resonance(s) '1.2.H5' (nmrStar names),'1.2.H6' (nmrStar names) not linked" rr_8psh 1
51 3 54 1 "Not handling restraint 54, item 1, resonance(s) '1.3.H4'' (nmrStar names),'1.3.H1'' (nmrStar names) not linked" rr_8psh 1
52 3 55 1 "Not handling restraint 55, item 1, resonance(s) '1.3.H1'' (nmrStar names),'1.3.H3'' (nmrStar names) not linked" rr_8psh 1
53 3 56 1 "Not handling restraint 56, item 1, resonance(s) '1.3.H8' (nmrStar names),'1.2.H2'2' (nmrStar names) not linked" rr_8psh 1
54 3 57 1 "Not handling restraint 57, item 1, resonance(s) '1.3.H8' (nmrStar names),'1.2.H3'' (nmrStar names) not linked" rr_8psh 1
55 3 58 1 "Not handling restraint 58, item 1, resonance(s) '1.3.H8' (nmrStar names),'1.3.H3'' (nmrStar names) not linked" rr_8psh 1
56 3 59 1 "Not handling restraint 59, item 1, resonance(s) '1.3.H8' (nmrStar names),'1.2.H5' (nmrStar names) not linked" rr_8psh 1
57 3 60 1 "Not handling restraint 60, item 1, resonance(s) '1.4.H1'' (nmrStar names),'1.4.H2'1' (nmrStar names) not linked" rr_8psh 1
58 3 61 1 "Not handling restraint 61, item 1, resonance(s) '1.4.H2'1' (nmrStar names),'1.4.H3'' (nmrStar names) not linked" rr_8psh 1
59 3 62 1 "Not handling restraint 62, item 1, resonance(s) '1.4.H6' (nmrStar names),'1.3.H1'' (nmrStar names) not linked" rr_8psh 1
60 3 63 1 "Not handling restraint 63, item 1, resonance(s) '1.4.H6' (nmrStar names),'1.3.H2'2' (nmrStar names) not linked" rr_8psh 1
61 3 64 1 "Not handling restraint 64, item 1, resonance(s) '1.4.H6' (nmrStar names),'1.4.H1'' (nmrStar names) not linked" rr_8psh 1
62 3 65 1 "Not handling restraint 65, item 1, resonance(s) '1.4.H6' (nmrStar names),'1.4.H2'2' (nmrStar names) not linked" rr_8psh 1
63 3 66 1 "Not handling restraint 66, item 1, resonance(s) '1.4.H6' (nmrStar names),'1.4.H3'' (nmrStar names) not linked" rr_8psh 1
64 3 67 1 "Not handling restraint 67, item 1, resonance(s) '1.4.C5M' (nmrStar names),'1.3.H3'' (nmrStar names) not linked" rr_8psh 1
65 3 68 1 "Not handling restraint 68, item 1, resonance(s) '1.3.H8' (nmrStar names),'1.4.C5M' (nmrStar names) not linked" rr_8psh 1
66 3 69 1 "Not handling restraint 69, item 1, resonance(s) '1.4.C5M' (nmrStar names),'1.3.H2'2' (nmrStar names) not linked" rr_8psh 1
67 3 70 1 "Not handling restraint 70, item 1, resonance(s) '1.4.H1'' (nmrStar names),'1.4.C5M' (nmrStar names) not linked" rr_8psh 1
68 3 71 1 "Not handling restraint 71, item 1, resonance(s) '1.4.C5M' (nmrStar names),'1.4.H2'1' (nmrStar names) not linked" rr_8psh 1
69 3 72 1 "Not handling restraint 72, item 1, resonance(s) '1.5.H1'' (nmrStar names),'1.5.H4'' (nmrStar names) not linked" rr_8psh 1
70 3 73 1 "Not handling restraint 73, item 1, resonance(s) '1.5.H1'' (nmrStar names),'1.5.H2'1' (nmrStar names) not linked" rr_8psh 1
71 3 74 1 "Not handling restraint 74, item 1, resonance(s) '1.5.H2'1' (nmrStar names),'1.5.H3'' (nmrStar names) not linked" rr_8psh 1
72 3 75 1 "Not handling restraint 75, item 1, resonance(s) '1.4.H1'' (nmrStar names),'1.5.H6' (nmrStar names) not linked" rr_8psh 1
73 3 76 1 "Not handling restraint 76, item 1, resonance(s) '1.4.H2'1' (nmrStar names),'1.5.H6' (nmrStar names) not linked" rr_8psh 1
74 3 77 1 "Not handling restraint 77, item 1, resonance(s) '1.4.H3'' (nmrStar names),'1.5.H6' (nmrStar names) not linked" rr_8psh 1
75 3 78 1 "Not handling restraint 78, item 1, resonance(s) '1.5.H1'' (nmrStar names),'1.5.H6' (nmrStar names) not linked" rr_8psh 1
76 3 79 1 "Not handling restraint 79, item 1, resonance(s) '1.5.H2'1' (nmrStar names),'1.5.H6' (nmrStar names) not linked" rr_8psh 1
77 3 80 1 "Not handling restraint 80, item 1, resonance(s) '1.5.H3'' (nmrStar names),'1.5.H6' (nmrStar names) not linked" rr_8psh 1
78 3 81 1 "Not handling restraint 81, item 1, resonance(s) '1.5.H5' (nmrStar names),'1.4.H2'1' (nmrStar names) not linked" rr_8psh 1
79 3 82 1 "Not handling restraint 82, item 1, resonance(s) '1.5.H5' (nmrStar names),'1.4.H2'2' (nmrStar names) not linked" rr_8psh 1
80 3 83 1 "Not handling restraint 83, item 1, resonance(s) '1.5.H5' (nmrStar names),'1.4.H3'' (nmrStar names) not linked" rr_8psh 1
81 3 84 1 "Not handling restraint 84, item 1, resonance(s) '1.4.H6' (nmrStar names),'1.5.H5' (nmrStar names) not linked" rr_8psh 1
82 3 85 1 "Not handling restraint 85, item 1, resonance(s) '1.5.H5' (nmrStar names),'1.4.C5M' (nmrStar names) not linked" rr_8psh 1
83 3 86 1 "Not handling restraint 86, item 1, resonance(s) '1.5.H1'' (nmrStar names),'1.5.H2'2' (nmrStar names) not linked" rr_8psh 1
84 3 87 1 "Not handling restraint 87, item 1, resonance(s) '1.5.H5' (nmrStar names),'1.5.H2'1' (nmrStar names) not linked" rr_8psh 1
85 3 88 1 "Not handling restraint 88, item 1, resonance(s) '1.5.H5' (nmrStar names),'1.5.H3'' (nmrStar names) not linked" rr_8psh 1
86 3 89 1 "Not handling restraint 89, item 1, resonance(s) '1.6.H1'' (nmrStar names),'1.6.H4'' (nmrStar names) not linked" rr_8psh 1
87 3 90 1 "Not handling restraint 90, item 1, resonance(s) '1.6.H1'' (nmrStar names),'1.6.H2'1' (nmrStar names) not linked" rr_8psh 1
88 3 91 1 "Not handling restraint 91, item 1, resonance(s) '1.6.H4'' (nmrStar names),'1.6.H3'' (nmrStar names) not linked" rr_8psh 1
89 3 92 1 "Not handling restraint 92, item 1, resonance(s) '1.6.H1'' (nmrStar names),'1.6.H3'' (nmrStar names) not linked" rr_8psh 1
90 3 93 1 "Not handling restraint 93, item 1, resonance(s) '1.6.H2'1' (nmrStar names),'1.6.H3'' (nmrStar names) not linked" rr_8psh 1
91 3 94 1 "Not handling restraint 94, item 1, resonance(s) '1.5.H1'' (nmrStar names),'1.6.H8' (nmrStar names) not linked" rr_8psh 1
92 3 95 1 "Not handling restraint 95, item 1, resonance(s) '1.5.H2'1' (nmrStar names),'1.6.H8' (nmrStar names) not linked" rr_8psh 1
93 3 96 1 "Not handling restraint 96, item 1, resonance(s) '1.5.H3'' (nmrStar names),'1.6.H8' (nmrStar names) not linked" rr_8psh 1
94 3 97 1 "Not handling restraint 97, item 1, resonance(s) '1.5.H6' (nmrStar names),'1.6.H8' (nmrStar names) not linked" rr_8psh 1
95 3 98 1 "Not handling restraint 98, item 1, resonance(s) '1.5.H2'2' (nmrStar names),'1.6.H8' (nmrStar names) not linked" rr_8psh 1
96 3 99 1 "Not handling restraint 99, item 1, resonance(s) '1.6.H4'' (nmrStar names),'1.6.H8' (nmrStar names) not linked" rr_8psh 1
97 3 100 1 "Not handling restraint 100, item 1, resonance(s) '1.6.H1'' (nmrStar names),'1.6.H8' (nmrStar names) not linked" rr_8psh 1
98 3 101 1 "Not handling restraint 101, item 1, resonance(s) '1.6.H2'1' (nmrStar names),'1.6.H8' (nmrStar names) not linked" rr_8psh 1
99 3 102 1 "Not handling restraint 102, item 1, resonance(s) '1.6.H3'' (nmrStar names),'1.6.H8' (nmrStar names) not linked" rr_8psh 1
100 3 103 1 "Not handling restraint 103, item 1, resonance(s) '1.6.H2' (nmrStar names),'1.6.H1'' (nmrStar names) not linked" rr_8psh 1
101 3 104 1 "Not handling restraint 104, item 1, resonance(s) '1.6.H1'' (nmrStar names),'1.6.H2'2' (nmrStar names) not linked" rr_8psh 1
102 3 105 1 "Not handling restraint 105, item 1, resonance(s) '1.6.H3'' (nmrStar names),'1.6.H2'2' (nmrStar names) not linked" rr_8psh 1
103 3 106 1 "Not handling restraint 106, item 1, resonance(s) '1.6.H8' (nmrStar names),'1.6.H2'2' (nmrStar names) not linked" rr_8psh 1
104 3 107 1 "Not handling restraint 107, item 1, resonance(s) '1.6.H8' (nmrStar names),'1.6.H5'1' (nmrStar names) not linked" rr_8psh 1
105 3 108 1 "Not handling restraint 108, item 1, resonance(s) '1.6.H8' (nmrStar names),'1.6.H5'2' (nmrStar names) not linked" rr_8psh 1
106 3 109 1 "Not handling restraint 109, item 1, resonance(s) '1.6.H2' (nmrStar names),'1.7.H1'' (nmrStar names) not linked" rr_8psh 1
107 3 110 1 "Not handling restraint 110, item 1, resonance(s) '1.7.H1'' (nmrStar names),'1.7.H4'' (nmrStar names) not linked" rr_8psh 1
108 3 111 1 "Not handling restraint 111, item 1, resonance(s) '1.7.H1'' (nmrStar names),'1.7.H2'1' (nmrStar names) not linked" rr_8psh 1
109 3 112 1 "Not handling restraint 112, item 1, resonance(s) '1.7.H2'1' (nmrStar names),'1.7.H3'' (nmrStar names) not linked" rr_8psh 1
110 3 113 1 "Not handling restraint 113, item 1, resonance(s) '1.6.H1'' (nmrStar names),'1.7.H8' (nmrStar names) not linked" rr_8psh 1
111 3 114 1 "Not handling restraint 114, item 1, resonance(s) '1.6.H3'' (nmrStar names),'1.7.H8' (nmrStar names) not linked" rr_8psh 1
112 3 115 1 "Not handling restraint 115, item 1, resonance(s) '1.7.H8' (nmrStar names),'1.7.C5'' (nmrStar names) not linked" rr_8psh 1
113 3 116 1 "Not handling restraint 116, item 1, resonance(s) '1.6.H2'2' (nmrStar names),'1.7.H8' (nmrStar names) not linked" rr_8psh 1
114 3 117 1 "Not handling restraint 117, item 1, resonance(s) '1.6.H8' (nmrStar names),'1.7.H8' (nmrStar names) not linked" rr_8psh 1
115 3 118 1 "Not handling restraint 118, item 1, resonance(s) '1.7.H1'' (nmrStar names),'1.7.H8' (nmrStar names) not linked" rr_8psh 1
116 3 119 1 "Not handling restraint 119, item 1, resonance(s) '1.7.H2'1' (nmrStar names),'1.7.H8' (nmrStar names) not linked" rr_8psh 1
117 3 120 1 "Not handling restraint 120, item 1, resonance(s) '1.7.H3'' (nmrStar names),'1.7.H8' (nmrStar names) not linked" rr_8psh 1
118 3 121 1 "Not handling restraint 121, item 1, resonance(s) '1.7.H1'' (nmrStar names),'1.7.H2'2' (nmrStar names) not linked" rr_8psh 1
119 3 122 1 "Not handling restraint 122, item 1, resonance(s) '1.8.H1'' (nmrStar names),'1.8.H4'' (nmrStar names) not linked" rr_8psh 1
120 3 123 1 "Not handling restraint 123, item 1, resonance(s) '1.8.H1'' (nmrStar names),'1.8.H2'1' (nmrStar names) not linked" rr_8psh 1
121 3 124 1 "Not handling restraint 124, item 1, resonance(s) '1.8.H1'' (nmrStar names),'1.8.H3'' (nmrStar names) not linked" rr_8psh 1
122 3 125 1 "Not handling restraint 125, item 1, resonance(s) '1.8.H2'1' (nmrStar names),'1.8.H3'' (nmrStar names) not linked" rr_8psh 1
123 3 126 1 "Not handling restraint 126, item 1, resonance(s) '1.7.H1'' (nmrStar names),'1.8.H8' (nmrStar names) not linked" rr_8psh 1
124 3 127 1 "Not handling restraint 127, item 1, resonance(s) '1.8.H1'' (nmrStar names),'1.8.H8' (nmrStar names) not linked" rr_8psh 1
125 3 128 1 "Not handling restraint 128, item 1, resonance(s) '1.8.H2'1' (nmrStar names),'1.8.H8' (nmrStar names) not linked" rr_8psh 1
126 3 129 1 "Not handling restraint 129, item 1, resonance(s) '1.8.H3'' (nmrStar names),'1.8.H8' (nmrStar names) not linked" rr_8psh 1
127 3 130 1 "Not handling restraint 130, item 1, resonance(s) '1.8.H1'' (nmrStar names),'1.8.H2'2' (nmrStar names) not linked" rr_8psh 1
128 3 131 1 "Not handling restraint 131, item 1, resonance(s) '1.8.H3'' (nmrStar names),'1.8.H2'2' (nmrStar names) not linked" rr_8psh 1
129 3 132 1 "Not handling restraint 132, item 1, resonance(s) '1.8.H8' (nmrStar names),'1.8.H2'2' (nmrStar names) not linked" rr_8psh 1
130 3 142 1 "Not handling restraint 142, item 1, resonance(s) '1.6.H2' (nmrStar names) not linked" rr_8psh 1
131 3 147 1 "Not handling restraint 147, item 1, resonance(s) '1.6.H2' (nmrStar names) not linked" rr_8psh 1
132 3 149 1 "Not handling restraint 149, item 1, resonance(s) '1.6.H2' (nmrStar names) not linked" rr_8psh 1
133 3 155 1 "Not handling restraint 155, item 1, resonance(s) '1.5.H1'' (nmrStar names) not linked" rr_8psh 1
134 3 172 1 "Not handling restraint 172, item 1, resonance(s) '1.15.H2'' (nmrStar names) not linked" rr_8psh 1
135 3 174 1 "Not handling restraint 174, item 1, resonance(s) '1.15.H2'' (nmrStar names) not linked" rr_8psh 1
136 3 181 1 "Not handling restraint 181, item 1, resonance(s) '1.15.H2'' (nmrStar names) not linked" rr_8psh 1
stop_
save_
save_Discover_distance_constraints_2_1
_Distance_constraint_list.Sf_category distance_constraints
_Distance_constraint_list.Sf_framecode Discover_distance_constraints_2_1
_Distance_constraint_list.Entry_ID rr_8psh
_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_8psh 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 distance 1 1 1 9 rr_8psh 2
stop_
loop_
_Dist_constraint_conv_err.ID
_Dist_constraint_conv_err.Dist_constraint_parse_file_ID
_Dist_constraint_conv_err.Parse_file_constraint_ID
_Dist_constraint_conv_err.Conv_error_type
_Dist_constraint_conv_err.Conv_error_note
_Dist_constraint_conv_err.Entry_ID
_Dist_constraint_conv_err.Distance_constraint_list_ID
1 2 1 1 "Not handling restraint 1, item 1, resonance(s) '1.1.O6' (nmrStar names) not linked" rr_8psh 2
2 2 2 1 "Not handling restraint 2, item 1, resonance(s) '1.1.N1' (nmrStar names) not linked" rr_8psh 2
3 2 3 1 "Not handling restraint 3, item 1, resonance(s) '1.1.N2' (nmrStar names) not linked" rr_8psh 2
4 2 4 1 "Not handling restraint 4, item 1, resonance(s) '1.2.N4' (nmrStar names) not linked" rr_8psh 2
5 2 5 1 "Not handling restraint 5, item 1, resonance(s) '1.2.N3' (nmrStar names) not linked" rr_8psh 2
6 2 6 1 "Not handling restraint 6, item 1, resonance(s) '1.2.O2' (nmrStar names) not linked" rr_8psh 2
7 2 7 1 "Not handling restraint 7, item 1, resonance(s) '1.3.O6' (nmrStar names) not linked" rr_8psh 2
8 2 8 1 "Not handling restraint 8, item 1, resonance(s) '1.3.N1' (nmrStar names) not linked" rr_8psh 2
9 2 9 1 "Not handling restraint 9, item 1, resonance(s) '1.3.N2' (nmrStar names) not linked" rr_8psh 2
10 2 10 1 "Not handling restraint 10, item 1, resonance(s) '1.4.N3' (nmrStar names) not linked" rr_8psh 2
11 2 11 1 "Not handling restraint 11, item 1, resonance(s) '1.4.O4' (nmrStar names) not linked" rr_8psh 2
12 2 12 1 "Not handling restraint 12, item 1, resonance(s) '1.5.N4' (nmrStar names) not linked" rr_8psh 2
13 2 13 1 "Not handling restraint 13, item 1, resonance(s) '1.5.N3' (nmrStar names) not linked" rr_8psh 2
14 2 14 1 "Not handling restraint 14, item 1, resonance(s) '1.5.O2' (nmrStar names) not linked" rr_8psh 2
15 2 15 1 "Not handling restraint 15, item 1, resonance(s) '1.6.N1' (nmrStar names) not linked" rr_8psh 2
16 2 16 1 "Not handling restraint 16, item 1, resonance(s) '1.6.N6' (nmrStar names) not linked" rr_8psh 2
17 2 17 1 "Not handling restraint 17, item 1, resonance(s) '1.7.O6' (nmrStar names) not linked" rr_8psh 2
18 2 18 1 "Not handling restraint 18, item 1, resonance(s) '1.7.N1' (nmrStar names) not linked" rr_8psh 2
19 2 19 1 "Not handling restraint 19, item 1, resonance(s) '1.7.N2' (nmrStar names) not linked" rr_8psh 2
20 2 20 1 "Not handling restraint 20, item 1, resonance(s) '1.8.O6' (nmrStar names) not linked" rr_8psh 2
21 2 21 1 "Not handling restraint 21, item 1, resonance(s) '1.8.N1' (nmrStar names) not linked" rr_8psh 2
22 2 22 1 "Not handling restraint 22, item 1, resonance(s) '1.8.N2' (nmrStar names) not linked" rr_8psh 2
stop_
save_
save_Discover_dihedral_4
_Torsion_angle_constraint_list.Sf_category torsion_angle_constraints
_Torsion_angle_constraint_list.Sf_framecode Discover_dihedral_4
_Torsion_angle_constraint_list.Entry_ID rr_8psh
_Torsion_angle_constraint_list.ID 1
_Torsion_angle_constraint_list.Details "Generated by Wattos"
_Torsion_angle_constraint_list.Constraint_file_ID 1
_Torsion_angle_constraint_list.Block_ID 4
loop_
_Torsion_angle_constraint_software.Software_ID
_Torsion_angle_constraint_software.Software_label
_Torsion_angle_constraint_software.Method_ID
_Torsion_angle_constraint_software.Method_label
_Torsion_angle_constraint_software.Entry_ID
_Torsion_angle_constraint_software.Torsion_angle_constraint_list_ID
. . . . rr_8psh 1
stop_
loop_
_Torsion_angle_constraint.ID
_Torsion_angle_constraint.Torsion_angle_name
_Torsion_angle_constraint.Assembly_atom_ID_1
_Torsion_angle_constraint.Entity_assembly_ID_1
_Torsion_angle_constraint.Entity_ID_1
_Torsion_angle_constraint.Comp_index_ID_1
_Torsion_angle_constraint.Seq_ID_1
_Torsion_angle_constraint.Comp_ID_1
_Torsion_angle_constraint.Atom_ID_1
_Torsion_angle_constraint.Atom_type_1
_Torsion_angle_constraint.Resonance_ID_1
_Torsion_angle_constraint.Assembly_atom_ID_2
_Torsion_angle_constraint.Entity_assembly_ID_2
_Torsion_angle_constraint.Entity_ID_2
_Torsion_angle_constraint.Comp_index_ID_2
_Torsion_angle_constraint.Seq_ID_2
_Torsion_angle_constraint.Comp_ID_2
_Torsion_angle_constraint.Atom_ID_2
_Torsion_angle_constraint.Atom_type_2
_Torsion_angle_constraint.Resonance_ID_2
_Torsion_angle_constraint.Assembly_atom_ID_3
_Torsion_angle_constraint.Entity_assembly_ID_3
_Torsion_angle_constraint.Entity_ID_3
_Torsion_angle_constraint.Comp_index_ID_3
_Torsion_angle_constraint.Seq_ID_3
_Torsion_angle_constraint.Comp_ID_3
_Torsion_angle_constraint.Atom_ID_3
_Torsion_angle_constraint.Atom_type_3
_Torsion_angle_constraint.Resonance_ID_3
_Torsion_angle_constraint.Assembly_atom_ID_4
_Torsion_angle_constraint.Entity_assembly_ID_4
_Torsion_angle_constraint.Entity_ID_4
_Torsion_angle_constraint.Comp_index_ID_4
_Torsion_angle_constraint.Seq_ID_4
_Torsion_angle_constraint.Comp_ID_4
_Torsion_angle_constraint.Atom_ID_4
_Torsion_angle_constraint.Atom_type_4
_Torsion_angle_constraint.Resonance_ID_4
_Torsion_angle_constraint.Angle_lower_bound_val
_Torsion_angle_constraint.Angle_upper_bound_val
_Torsion_angle_constraint.Source_experiment_ID
_Torsion_angle_constraint.PDB_record_ID_1
_Torsion_angle_constraint.PDB_model_num_1
_Torsion_angle_constraint.PDB_strand_ID_1
_Torsion_angle_constraint.PDB_ins_code_1
_Torsion_angle_constraint.PDB_residue_no_1
_Torsion_angle_constraint.PDB_residue_name_1
_Torsion_angle_constraint.PDB_atom_name_1
_Torsion_angle_constraint.PDB_record_ID_2
_Torsion_angle_constraint.PDB_model_num_2
_Torsion_angle_constraint.PDB_strand_ID_2
_Torsion_angle_constraint.PDB_ins_code_2
_Torsion_angle_constraint.PDB_residue_no_2
_Torsion_angle_constraint.PDB_residue_name_2
_Torsion_angle_constraint.PDB_atom_name_2
_Torsion_angle_constraint.PDB_record_ID_3
_Torsion_angle_constraint.PDB_model_num_3
_Torsion_angle_constraint.PDB_strand_ID_3
_Torsion_angle_constraint.PDB_ins_code_3
_Torsion_angle_constraint.PDB_residue_no_3
_Torsion_angle_constraint.PDB_residue_name_3
_Torsion_angle_constraint.PDB_atom_name_3
_Torsion_angle_constraint.PDB_record_ID_4
_Torsion_angle_constraint.PDB_model_num_4
_Torsion_angle_constraint.PDB_strand_ID_4
_Torsion_angle_constraint.PDB_ins_code_4
_Torsion_angle_constraint.PDB_residue_no_4
_Torsion_angle_constraint.PDB_residue_name_4
_Torsion_angle_constraint.PDB_atom_name_4
_Torsion_angle_constraint.Auth_entity_assembly_ID_1
_Torsion_angle_constraint.Auth_asym_ID_1
_Torsion_angle_constraint.Auth_chain_ID_1
_Torsion_angle_constraint.Auth_seq_ID_1
_Torsion_angle_constraint.Auth_comp_ID_1
_Torsion_angle_constraint.Auth_atom_ID_1
_Torsion_angle_constraint.Auth_alt_ID_1
_Torsion_angle_constraint.Auth_atom_name_1
_Torsion_angle_constraint.Auth_entity_assembly_ID_2
_Torsion_angle_constraint.Auth_asym_ID_2
_Torsion_angle_constraint.Auth_chain_ID_2
_Torsion_angle_constraint.Auth_seq_ID_2
_Torsion_angle_constraint.Auth_comp_ID_2
_Torsion_angle_constraint.Auth_atom_ID_2
_Torsion_angle_constraint.Auth_alt_ID_2
_Torsion_angle_constraint.Auth_atom_name_2
_Torsion_angle_constraint.Auth_entity_assembly_ID_3
_Torsion_angle_constraint.Auth_asym_ID_3
_Torsion_angle_constraint.Auth_chain_ID_3
_Torsion_angle_constraint.Auth_seq_ID_3
_Torsion_angle_constraint.Auth_comp_ID_3
_Torsion_angle_constraint.Auth_atom_ID_3
_Torsion_angle_constraint.Auth_alt_ID_3
_Torsion_angle_constraint.Auth_atom_name_3
_Torsion_angle_constraint.Auth_entity_assembly_ID_4
_Torsion_angle_constraint.Auth_asym_ID_4
_Torsion_angle_constraint.Auth_chain_ID_4
_Torsion_angle_constraint.Auth_seq_ID_4
_Torsion_angle_constraint.Auth_comp_ID_4
_Torsion_angle_constraint.Auth_atom_ID_4
_Torsion_angle_constraint.Auth_alt_ID_4
_Torsion_angle_constraint.Auth_atom_name_4
_Torsion_angle_constraint.Entry_ID
_Torsion_angle_constraint.Torsion_angle_constraint_list_ID
1 . . 2 2 1 1 C O5' O . . 2 2 1 1 C C5' C . . 2 2 1 1 C C4' C . . 2 2 1 1 C C3' C . 20.0 100.0 . . . B . 9 C O5' . . B . 9 C C5' . . B . 9 C C4' . . B . 9 C C3' . 1 . 9 C O5' . . . 1 . 9 C C5' . . . 1 . 9 C C4' . . . 1 . 9 C C3' . . rr_8psh 1
2 . . 2 2 1 1 C C4' C . . 2 2 1 1 C C3' C . . 2 2 1 1 C O3' O . . 2 2 2 2 C P P . 110.0 220.0 . . . B . 9 C C4' . . B . 9 C C3' . . B . 9 C O3' . . B . 10 C P . 1 . 9 C C4' . . . 1 . 9 C C3' . . . 1 . 9 C O3' . . . 1 . 10 C P . . rr_8psh 1
3 . . 2 2 1 1 C C3' C . . 2 2 1 1 C O3' O . . 2 2 2 2 C P P . . 2 2 2 2 C O5' O . -120.0 120.0 . . . B . 9 C C3' . . B . 9 C O3' . . B . 10 C P . . B . 10 C O5' . 1 . 9 C C3' . . . 1 . 9 C O3' . . . 1 . 10 C P . . . 1 . 10 C O5' . . rr_8psh 1
4 . . 2 2 1 1 C O3' O . . 2 2 2 2 C P P . . 2 2 2 2 C O5' O . . 2 2 2 2 C C5' C . -120.0 120.0 . . . B . 9 C O3' . . B . 10 C P . . B . 10 C O5' . . B . 10 C C5' . 1 . 9 C O3' . . . 1 . 10 C P . . . 1 . 10 C O5' . . . 1 . 10 C C5' . . rr_8psh 1
5 . . 2 2 2 2 C C3' C . . 2 2 2 2 C O3' O . . 2 2 3 3 U P P . . 2 2 3 3 U O5' O . -120.0 120.0 . . . B . 10 C C3' . . B . 10 C O3' . . B . 11 U P . . B . 11 U O5' . 1 . 10 C C3' . . . 1 . 10 C O3' . . . 1 . 11 U P . . . 1 . 11 U O5' . . rr_8psh 1
6 . . 2 2 2 2 C O3' O . . 2 2 3 3 U P P . . 2 2 3 3 U O5' O . . 2 2 3 3 U C5' C . -120.0 120.0 . . . B . 10 C O3' . . B . 11 U P . . B . 11 U O5' . . B . 11 U C5' . 1 . 10 C O3' . . . 1 . 11 U P . . . 1 . 11 U O5' . . . 1 . 11 U C5' . . rr_8psh 1
7 . . 2 2 2 2 C C4' C . . 2 2 2 2 C C3' C . . 2 2 2 2 C O3' O . . 2 2 3 3 U P P . 100.0 240.0 . . . B . 10 C C4' . . B . 10 C C3' . . B . 10 C O3' . . B . 11 U P . 1 . 10 C C4' . . . 1 . 10 C C3' . . . 1 . 10 C O3' . . . 1 . 11 U P . . rr_8psh 1
8 . . 2 2 3 3 U C3' C . . 2 2 3 3 U O3' O . . 2 2 4 4 G P P . . 2 2 4 4 G O5' O . -120.0 120.0 . . . B . 11 U C3' . . B . 11 U O3' . . B . 12 G P . . B . 12 G O5' . 1 . 11 U C3' . . . 1 . 11 U O3' . . . 1 . 12 G P . . . 1 . 12 G O5' . . rr_8psh 1
9 . . 2 2 3 3 U O3' O . . 2 2 4 4 G P P . . 2 2 4 4 G O5' O . . 2 2 4 4 G C5' C . -120.0 120.0 . . . B . 11 U O3' . . B . 12 G P . . B . 12 G O5' . . B . 12 G C5' . 1 . 11 U O3' . . . 1 . 12 G P . . . 1 . 12 G O5' . . . 1 . 12 G C5' . . rr_8psh 1
10 . . 2 2 3 3 U C4' C . . 2 2 3 3 U C3' C . . 2 2 3 3 U O3' O . . 2 2 4 4 G P P . 100.0 240.0 . . . B . 11 U C4' . . B . 11 U C3' . . B . 11 U O3' . . B . 12 G P . 1 . 11 U C4' . . . 1 . 11 U C3' . . . 1 . 11 U O3' . . . 1 . 12 G P . . rr_8psh 1
11 . . 2 2 4 4 G C3' C . . 2 2 4 4 G O3' O . . 2 2 5 5 A P P . . 2 2 5 5 A O5' O . -120.0 120.0 . . . B . 12 G C3' . . B . 12 G O3' . . B . 13 A P . . B . 13 A O5' . 1 . 12 G C3' . . . 1 . 12 G O3' . . . 1 . 13 A P . . . 1 . 13 A O5' . . rr_8psh 1
12 . . 2 2 4 4 G O3' O . . 2 2 5 5 A P P . . 2 2 5 5 A O5' O . . 2 2 5 5 A C5' C . -120.0 120.0 . . . B . 12 G O3' . . B . 13 A P . . B . 13 A O5' . . B . 13 A C5' . 1 . 12 G O3' . . . 1 . 13 A P . . . 1 . 13 A O5' . . . 1 . 13 A C5' . . rr_8psh 1
13 . . 2 2 4 4 G P P . . 2 2 4 4 G O5' O . . 2 2 4 4 G C5' C . . 2 2 4 4 G C4' C . 90.0 270.0 . . . B . 12 G P . . B . 12 G O5' . . B . 12 G C5' . . B . 12 G C4' . 1 . 12 G P . . . 1 . 12 G O5' . . . 1 . 12 G C5' . . . 1 . 12 G C4' . . rr_8psh 1
14 . . 2 2 4 4 G C4' C . . 2 2 4 4 G C3' C . . 2 2 4 4 G O3' O . . 2 2 5 5 A P P . 120.0 210.0 . . . B . 12 G C4' . . B . 12 G C3' . . B . 12 G O3' . . B . 13 A P . 1 . 12 G C4' . . . 1 . 12 G C3' . . . 1 . 12 G O3' . . . 1 . 13 A P . . rr_8psh 1
15 . . 2 2 5 5 A C3' C . . 2 2 5 5 A O3' O . . 2 2 6 6 C P P . . 2 2 6 6 C O5' O . -120.0 120.0 . . . B . 13 A C3' . . B . 13 A O3' . . B . 14 C P . . B . 14 C O5' . 1 . 13 A C3' . . . 1 . 13 A O3' . . . 1 . 14 C P . . . 1 . 14 C O5' . . rr_8psh 1
16 . . 2 2 5 5 A O3' O . . 2 2 6 6 C P P . . 2 2 6 6 C O5' O . . 2 2 6 6 C C5' C . -120.0 120.0 . . . B . 13 A O3' . . B . 14 C P . . B . 14 C O5' . . B . 14 C C5' . 1 . 13 A O3' . . . 1 . 14 C P . . . 1 . 14 C O5' . . . 1 . 14 C C5' . . rr_8psh 1
17 . . 2 2 5 5 A C4' C . . 2 2 5 5 A C3' C . . 2 2 5 5 A O3' O . . 2 2 6 6 C P P . 100.0 240.0 . . . B . 13 A C4' . . B . 13 A C3' . . B . 13 A O3' . . B . 14 C P . 1 . 13 A C4' . . . 1 . 13 A C3' . . . 1 . 13 A O3' . . . 1 . 14 C P . . rr_8psh 1
18 . . 2 2 6 6 C C3' C . . 2 2 6 6 C O3' O . . 1 1 1 1 DG P P . . 1 1 1 1 DG O5' O . -120.0 120.0 . . . B . 14 C C3' . . B . 14 C O3' . . A . 1 DG P . . A . 1 DG O5' . 1 . 14 C C3' . . . 1 . 14 C O3' . . . 1 . 15 G P . . . 1 . 15 G O5' . . rr_8psh 1
19 . . 2 2 6 6 C O3' O . . 1 1 1 1 DG P P . . 1 1 1 1 DG O5' O . . 1 1 1 1 DG C5' C . -120.0 120.0 . . . B . 14 C O3' . . A . 1 DG P . . A . 1 DG O5' . . A . 1 DG C5' . 1 . 14 C O3' . . . 1 . 15 G P . . . 1 . 15 G O5' . . . 1 . 15 G C5' . . rr_8psh 1
20 . . 2 2 6 6 C C4' C . . 2 2 6 6 C C3' C . . 2 2 6 6 C O3' O . . 1 1 1 1 DG P P . 100.0 240.0 . . . B . 14 C C4' . . B . 14 C C3' . . B . 14 C O3' . . A . 1 DG P . 1 . 14 C C4' . . . 1 . 14 C C3' . . . 1 . 14 C O3' . . . 1 . 15 G P . . rr_8psh 1
21 . . 2 2 6 6 C P P . . 2 2 6 6 C O5' O . . 2 2 6 6 C C5' C . . 2 2 6 6 C C4' C . 130.0 230.0 . . . B . 14 C P . . B . 14 C O5' . . B . 14 C C5' . . B . 14 C C4' . 1 . 14 C P . . . 1 . 14 C O5' . . . 1 . 14 C C5' . . . 1 . 14 C C4' . . rr_8psh 1
22 . . 2 2 6 6 C O5' O . . 2 2 6 6 C C5' C . . 2 2 6 6 C C4' C . . 2 2 6 6 C C3' C . 20.0 100.0 . . . B . 14 C O5' . . B . 14 C C5' . . B . 14 C C4' . . B . 14 C C3' . 1 . 14 C O5' . . . 1 . 14 C C5' . . . 1 . 14 C C4' . . . 1 . 14 C C3' . . rr_8psh 1
23 . . 1 1 1 1 DG C3' C . . 1 1 1 1 DG O3' O . . 1 1 2 2 SC P P . . 1 1 2 2 SC O5' O . -120.0 120.0 . . . A . 1 DG C3' . . A . 1 DG O3' . . A . 2 SC P . . A . 2 SC O5' . 1 . 15 G C3' . . . 1 . 15 G O3' . . . 1 . 16 C P . . . 1 . 16 C O5' . . rr_8psh 1
24 . . 1 1 1 1 DG O3' O . . 1 1 2 2 SC P P . . 1 1 2 2 SC O5' O . . 1 1 2 2 SC C5' C . -120.0 120.0 . . . A . 1 DG O3' . . A . 2 SC P . . A . 2 SC O5' . . A . 2 SC C5' . 1 . 15 G O3' . . . 1 . 16 C P . . . 1 . 16 C O5' . . . 1 . 16 C C5' . . rr_8psh 1
25 . . 1 1 1 1 DG C4' C . . 1 1 1 1 DG C3' C . . 1 1 1 1 DG O3' O . . 1 1 2 2 SC P P . 100.0 240.0 . . . A . 1 DG C4' . . A . 1 DG C3' . . A . 1 DG O3' . . A . 2 SC P . 1 . 15 G C4' . . . 1 . 15 G C3' . . . 1 . 15 G O3' . . . 1 . 16 C P . . rr_8psh 1
26 . . 1 1 1 1 DG P P . . 1 1 1 1 DG O5' O . . 1 1 1 1 DG C5' C . . 1 1 1 1 DG C4' C . 150.0 210.0 . . . A . 1 DG P . . A . 1 DG O5' . . A . 1 DG C5' . . A . 1 DG C4' . 1 . 15 G P . . . 1 . 15 G O5' . . . 1 . 15 G C5' . . . 1 . 15 G C4' . . rr_8psh 1
27 . . 1 1 1 1 DG O5' O . . 1 1 1 1 DG C5' C . . 1 1 1 1 DG C4' C . . 1 1 1 1 DG C3' C . 20.0 100.0 . . . A . 1 DG O5' . . A . 1 DG C5' . . A . 1 DG C4' . . A . 1 DG C3' . 1 . 15 G O5' . . . 1 . 15 G C5' . . . 1 . 15 G C4' . . . 1 . 15 G C3' . . rr_8psh 1
28 . . 2 2 2 2 C O4' O . . 2 2 2 2 C C1' C . . 2 2 2 2 C C2' C . . 2 2 2 2 C C3' C . -33.3 -18.3 . . . B . 10 C O4' . . B . 10 C C1' . . B . 10 C C2' . . B . 10 C C3' . 1 . 10 C O4' . . . 1 . 10 C C1' . . . 1 . 10 C C2' . . . 1 . 10 C C3' . . rr_8psh 1
29 . . 2 2 2 2 C C1' C . . 2 2 2 2 C C2' C . . 2 2 2 2 C C3' C . . 2 2 2 2 C C4' C . 29.8 44.8 . . . B . 10 C C1' . . B . 10 C C2' . . B . 10 C C3' . . B . 10 C C4' . 1 . 10 C C1' . . . 1 . 10 C C2' . . . 1 . 10 C C3' . . . 1 . 10 C C4' . . rr_8psh 1
30 . . 2 2 2 2 C C2' C . . 2 2 2 2 C C3' C . . 2 2 2 2 C C4' C . . 2 2 2 2 C O4' O . -43.7 -28.7 . . . B . 10 C C2' . . B . 10 C C3' . . B . 10 C C4' . . B . 10 C O4' . 1 . 10 C C2' . . . 1 . 10 C C3' . . . 1 . 10 C C4' . . . 1 . 10 C O4' . . rr_8psh 1
31 . . 2 2 2 2 C C3' C . . 2 2 2 2 C C4' C . . 2 2 2 2 C O4' O . . 2 2 2 2 C C1' C . 13.2 28.3 . . . B . 10 C C3' . . B . 10 C C4' . . B . 10 C O4' . . B . 10 C C1' . 1 . 10 C C3' . . . 1 . 10 C C4' . . . 1 . 10 C O4' . . . 1 . 10 C C1' . . rr_8psh 1
32 . . 2 2 2 2 C C4' C . . 2 2 2 2 C O4' O . . 2 2 2 2 C C1' C . . 2 2 2 2 C C2' C . -4.2 10.8 . . . B . 10 C C4' . . B . 10 C O4' . . B . 10 C C1' . . B . 10 C C2' . 1 . 10 C C4' . . . 1 . 10 C O4' . . . 1 . 10 C C1' . . . 1 . 10 C C2' . . rr_8psh 1
33 . . 2 2 3 3 U O4' O . . 2 2 3 3 U C1' C . . 2 2 3 3 U C2' C . . 2 2 3 3 U C3' C . -33.3 -18.3 . . . B . 11 U O4' . . B . 11 U C1' . . B . 11 U C2' . . B . 11 U C3' . 1 . 11 U O4' . . . 1 . 11 U C1' . . . 1 . 11 U C2' . . . 1 . 11 U C3' . . rr_8psh 1
34 . . 2 2 3 3 U C1' C . . 2 2 3 3 U C2' C . . 2 2 3 3 U C3' C . . 2 2 3 3 U C4' C . 29.8 44.8 . . . B . 11 U C1' . . B . 11 U C2' . . B . 11 U C3' . . B . 11 U C4' . 1 . 11 U C1' . . . 1 . 11 U C2' . . . 1 . 11 U C3' . . . 1 . 11 U C4' . . rr_8psh 1
35 . . 2 2 3 3 U C2' C . . 2 2 3 3 U C3' C . . 2 2 3 3 U C4' C . . 2 2 3 3 U O4' O . -43.7 -28.7 . . . B . 11 U C2' . . B . 11 U C3' . . B . 11 U C4' . . B . 11 U O4' . 1 . 11 U C2' . . . 1 . 11 U C3' . . . 1 . 11 U C4' . . . 1 . 11 U O4' . . rr_8psh 1
36 . . 2 2 3 3 U C3' C . . 2 2 3 3 U C4' C . . 2 2 3 3 U O4' O . . 2 2 3 3 U C1' C . 13.2 28.3 . . . B . 11 U C3' . . B . 11 U C4' . . B . 11 U O4' . . B . 11 U C1' . 1 . 11 U C3' . . . 1 . 11 U C4' . . . 1 . 11 U O4' . . . 1 . 11 U C1' . . rr_8psh 1
37 . . 2 2 3 3 U C4' C . . 2 2 3 3 U O4' O . . 2 2 3 3 U C1' C . . 2 2 3 3 U C2' C . -4.2 10.8 . . . B . 11 U C4' . . B . 11 U O4' . . B . 11 U C1' . . B . 11 U C2' . 1 . 11 U C4' . . . 1 . 11 U O4' . . . 1 . 11 U C1' . . . 1 . 11 U C2' . . rr_8psh 1
38 . . 2 2 4 4 G O4' O . . 2 2 4 4 G C1' C . . 2 2 4 4 G C2' C . . 2 2 4 4 G C3' C . -33.3 -18.3 . . . B . 12 G O4' . . B . 12 G C1' . . B . 12 G C2' . . B . 12 G C3' . 1 . 12 G O4' . . . 1 . 12 G C1' . . . 1 . 12 G C2' . . . 1 . 12 G C3' . . rr_8psh 1
39 . . 2 2 4 4 G C1' C . . 2 2 4 4 G C2' C . . 2 2 4 4 G C3' C . . 2 2 4 4 G C4' C . 29.8 44.8 . . . B . 12 G C1' . . B . 12 G C2' . . B . 12 G C3' . . B . 12 G C4' . 1 . 12 G C1' . . . 1 . 12 G C2' . . . 1 . 12 G C3' . . . 1 . 12 G C4' . . rr_8psh 1
40 . . 2 2 4 4 G C2' C . . 2 2 4 4 G C3' C . . 2 2 4 4 G C4' C . . 2 2 4 4 G O4' O . -43.7 -28.7 . . . B . 12 G C2' . . B . 12 G C3' . . B . 12 G C4' . . B . 12 G O4' . 1 . 12 G C2' . . . 1 . 12 G C3' . . . 1 . 12 G C4' . . . 1 . 12 G O4' . . rr_8psh 1
41 . . 2 2 4 4 G C3' C . . 2 2 4 4 G C4' C . . 2 2 4 4 G O4' O . . 2 2 4 4 G C1' C . 13.2 28.3 . . . B . 12 G C3' . . B . 12 G C4' . . B . 12 G O4' . . B . 12 G C1' . 1 . 12 G C3' . . . 1 . 12 G C4' . . . 1 . 12 G O4' . . . 1 . 12 G C1' . . rr_8psh 1
42 . . 2 2 4 4 G C4' C . . 2 2 4 4 G O4' O . . 2 2 4 4 G C1' C . . 2 2 4 4 G C2' C . -4.2 10.8 . . . B . 12 G C4' . . B . 12 G O4' . . B . 12 G C1' . . B . 12 G C2' . 1 . 12 G C4' . . . 1 . 12 G O4' . . . 1 . 12 G C1' . . . 1 . 12 G C2' . . rr_8psh 1
43 . . 2 2 5 5 A O4' O . . 2 2 5 5 A C1' C . . 2 2 5 5 A C2' C . . 2 2 5 5 A C3' C . -33.3 -18.3 . . . B . 13 A O4' . . B . 13 A C1' . . B . 13 A C2' . . B . 13 A C3' . 1 . 13 A O4' . . . 1 . 13 A C1' . . . 1 . 13 A C2' . . . 1 . 13 A C3' . . rr_8psh 1
44 . . 2 2 5 5 A C1' C . . 2 2 5 5 A C2' C . . 2 2 5 5 A C3' C . . 2 2 5 5 A C4' C . 29.8 44.8 . . . B . 13 A C1' . . B . 13 A C2' . . B . 13 A C3' . . B . 13 A C4' . 1 . 13 A C1' . . . 1 . 13 A C2' . . . 1 . 13 A C3' . . . 1 . 13 A C4' . . rr_8psh 1
45 . . 2 2 5 5 A C2' C . . 2 2 5 5 A C3' C . . 2 2 5 5 A C4' C . . 2 2 5 5 A O4' O . -43.7 -28.7 . . . B . 13 A C2' . . B . 13 A C3' . . B . 13 A C4' . . B . 13 A O4' . 1 . 13 A C2' . . . 1 . 13 A C3' . . . 1 . 13 A C4' . . . 1 . 13 A O4' . . rr_8psh 1
46 . . 2 2 5 5 A C3' C . . 2 2 5 5 A C4' C . . 2 2 5 5 A O4' O . . 2 2 5 5 A C1' C . 13.2 28.3 . . . B . 13 A C3' . . B . 13 A C4' . . B . 13 A O4' . . B . 13 A C1' . 1 . 13 A C3' . . . 1 . 13 A C4' . . . 1 . 13 A O4' . . . 1 . 13 A C1' . . rr_8psh 1
47 . . 2 2 5 5 A C4' C . . 2 2 5 5 A O4' O . . 2 2 5 5 A C1' C . . 2 2 5 5 A C2' C . -4.2 10.8 . . . B . 13 A C4' . . B . 13 A O4' . . B . 13 A C1' . . B . 13 A C2' . 1 . 13 A C4' . . . 1 . 13 A O4' . . . 1 . 13 A C1' . . . 1 . 13 A C2' . . rr_8psh 1
48 . . 2 2 6 6 C O4' O . . 2 2 6 6 C C1' C . . 2 2 6 6 C C2' C . . 2 2 6 6 C C3' C . -33.3 -18.3 . . . B . 14 C O4' . . B . 14 C C1' . . B . 14 C C2' . . B . 14 C C3' . 1 . 14 C O4' . . . 1 . 14 C C1' . . . 1 . 14 C C2' . . . 1 . 14 C C3' . . rr_8psh 1
49 . . 2 2 6 6 C C1' C . . 2 2 6 6 C C2' C . . 2 2 6 6 C C3' C . . 2 2 6 6 C C4' C . 29.8 44.8 . . . B . 14 C C1' . . B . 14 C C2' . . B . 14 C C3' . . B . 14 C C4' . 1 . 14 C C1' . . . 1 . 14 C C2' . . . 1 . 14 C C3' . . . 1 . 14 C C4' . . rr_8psh 1
50 . . 2 2 6 6 C C2' C . . 2 2 6 6 C C3' C . . 2 2 6 6 C C4' C . . 2 2 6 6 C O4' O . -43.7 -28.7 . . . B . 14 C C2' . . B . 14 C C3' . . B . 14 C C4' . . B . 14 C O4' . 1 . 14 C C2' . . . 1 . 14 C C3' . . . 1 . 14 C C4' . . . 1 . 14 C O4' . . rr_8psh 1
51 . . 2 2 6 6 C C3' C . . 2 2 6 6 C C4' C . . 2 2 6 6 C O4' O . . 2 2 6 6 C C1' C . 13.2 28.3 . . . B . 14 C C3' . . B . 14 C C4' . . B . 14 C O4' . . B . 14 C C1' . 1 . 14 C C3' . . . 1 . 14 C C4' . . . 1 . 14 C O4' . . . 1 . 14 C C1' . . rr_8psh 1
52 . . 2 2 6 6 C C4' C . . 2 2 6 6 C O4' O . . 2 2 6 6 C C1' C . . 2 2 6 6 C C2' C . -4.2 10.8 . . . B . 14 C C4' . . B . 14 C O4' . . B . 14 C C1' . . B . 14 C C2' . 1 . 14 C C4' . . . 1 . 14 C O4' . . . 1 . 14 C C1' . . . 1 . 14 C C2' . . rr_8psh 1
53 . . 1 1 1 1 DG O4' O . . 1 1 1 1 DG C1' C . . 1 1 1 1 DG C2' C . . 1 1 1 1 DG C3' C . -33.3 -18.3 . . . A . 1 DG O4' . . A . 1 DG C1' . . A . 1 DG C2' . . A . 1 DG C3' . 1 . 15 G O4' . . . 1 . 15 G C1' . . . 1 . 15 G C2' . . . 1 . 15 G C3' . . rr_8psh 1
54 . . 1 1 1 1 DG C1' C . . 1 1 1 1 DG C2' C . . 1 1 1 1 DG C3' C . . 1 1 1 1 DG C4' C . 29.8 44.8 . . . A . 1 DG C1' . . A . 1 DG C2' . . A . 1 DG C3' . . A . 1 DG C4' . 1 . 15 G C1' . . . 1 . 15 G C2' . . . 1 . 15 G C3' . . . 1 . 15 G C4' . . rr_8psh 1
55 . . 1 1 1 1 DG C2' C . . 1 1 1 1 DG C3' C . . 1 1 1 1 DG C4' C . . 1 1 1 1 DG O4' O . -43.7 -28.7 . . . A . 1 DG C2' . . A . 1 DG C3' . . A . 1 DG C4' . . A . 1 DG O4' . 1 . 15 G C2' . . . 1 . 15 G C3' . . . 1 . 15 G C4' . . . 1 . 15 G O4' . . rr_8psh 1
56 . . 1 1 1 1 DG C3' C . . 1 1 1 1 DG C4' C . . 1 1 1 1 DG O4' O . . 1 1 1 1 DG C1' C . 13.2 28.3 . . . A . 1 DG C3' . . A . 1 DG C4' . . A . 1 DG O4' . . A . 1 DG C1' . 1 . 15 G C3' . . . 1 . 15 G C4' . . . 1 . 15 G O4' . . . 1 . 15 G C1' . . rr_8psh 1
57 . . 1 1 1 1 DG C4' C . . 1 1 1 1 DG O4' O . . 1 1 1 1 DG C1' C . . 1 1 1 1 DG C2' C . -4.2 10.8 . . . A . 1 DG C4' . . A . 1 DG O4' . . A . 1 DG C1' . . A . 1 DG C2' . 1 . 15 G C4' . . . 1 . 15 G O4' . . . 1 . 15 G C1' . . . 1 . 15 G C2' . . rr_8psh 1
58 . . 2 2 1 1 C O4' O . . 2 2 1 1 C C1' C . . 2 2 1 1 C C2' C . . 2 2 1 1 C C3' C . -33.3 -18.3 . . . B . 9 C O4' . . B . 9 C C1' . . B . 9 C C2' . . B . 9 C C3' . 1 . 9 C O4' . . . 1 . 9 C C1' . . . 1 . 9 C C2' . . . 1 . 9 C C3' . . rr_8psh 1
59 . . 2 2 1 1 C C1' C . . 2 2 1 1 C C2' C . . 2 2 1 1 C C3' C . . 2 2 1 1 C C4' C . 29.8 44.8 . . . B . 9 C C1' . . B . 9 C C2' . . B . 9 C C3' . . B . 9 C C4' . 1 . 9 C C1' . . . 1 . 9 C C2' . . . 1 . 9 C C3' . . . 1 . 9 C C4' . . rr_8psh 1
60 . . 2 2 1 1 C C2' C . . 2 2 1 1 C C3' C . . 2 2 1 1 C C4' C . . 2 2 1 1 C O4' O . -43.7 -28.7 . . . B . 9 C C2' . . B . 9 C C3' . . B . 9 C C4' . . B . 9 C O4' . 1 . 9 C C2' . . . 1 . 9 C C3' . . . 1 . 9 C C4' . . . 1 . 9 C O4' . . rr_8psh 1
61 . . 2 2 1 1 C C3' C . . 2 2 1 1 C C4' C . . 2 2 1 1 C O4' O . . 2 2 1 1 C C1' C . 13.2 28.3 . . . B . 9 C C3' . . B . 9 C C4' . . B . 9 C O4' . . B . 9 C C1' . 1 . 9 C C3' . . . 1 . 9 C C4' . . . 1 . 9 C O4' . . . 1 . 9 C C1' . . rr_8psh 1
62 . . 2 2 1 1 C C4' C . . 2 2 1 1 C O4' O . . 2 2 1 1 C C1' C . . 2 2 1 1 C C2' C . -4.2 10.8 . . . B . 9 C C4' . . B . 9 C O4' . . B . 9 C C1' . . B . 9 C C2' . 1 . 9 C C4' . . . 1 . 9 C O4' . . . 1 . 9 C C1' . . . 1 . 9 C C2' . . rr_8psh 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 dihedral 1 1 1 10 rr_8psh 1
stop_
loop_
_TA_constraint_conv_err.ID
_TA_constraint_conv_err.Parse_file_ID
_TA_constraint_conv_err.Parse_file_constraint_ID
_TA_constraint_conv_err.Conv_error_type
_TA_constraint_conv_err.Conv_error_note
_TA_constraint_conv_err.Entry_ID
_TA_constraint_conv_err.Torsion_angle_constraint_list_ID
1 4 1 1 "Not handling restraint 1, resonance(s) '1.1.C4'' (nmrStar names),'1.1.C3'' (nmrStar names),'1.1.O3'' (nmrStar names),'1.2.P' (nmrStar names) not linked" rr_8psh 1
2 4 2 1 "Not handling restraint 2, resonance(s) '1.3.C4'' (nmrStar names),'1.3.C3'' (nmrStar names),'1.3.O3'' (nmrStar names),'1.4.P' (nmrStar names) not linked" rr_8psh 1
3 4 3 1 "Not handling restraint 3, resonance(s) '1.4.P' (nmrStar names),'1.4.O5'' (nmrStar names),'1.4.C5'' (nmrStar names),'1.4.C4'' (nmrStar names) not linked" rr_8psh 1
4 4 4 1 "Not handling restraint 4, resonance(s) '1.4.O5'' (nmrStar names),'1.4.C5'' (nmrStar names),'1.4.C4'' (nmrStar names),'1.4.C3'' (nmrStar names) not linked" rr_8psh 1
5 4 5 1 "Not handling restraint 5, resonance(s) '1.4.C4'' (nmrStar names),'1.4.C3'' (nmrStar names),'1.4.O3'' (nmrStar names),'1.5.P' (nmrStar names) not linked" rr_8psh 1
6 4 6 1 "Not handling restraint 6, resonance(s) '1.5.C4'' (nmrStar names),'1.5.C3'' (nmrStar names),'1.5.O3'' (nmrStar names),'1.6.P' (nmrStar names) not linked" rr_8psh 1
7 4 7 1 "Not handling restraint 7, resonance(s) '1.6.P' (nmrStar names),'1.6.O5'' (nmrStar names),'1.6.C5'' (nmrStar names),'1.6.C4'' (nmrStar names) not linked" rr_8psh 1
8 4 8 1 "Not handling restraint 8, resonance(s) '1.6.O5'' (nmrStar names),'1.6.C5'' (nmrStar names),'1.6.C4'' (nmrStar names),'1.6.C3'' (nmrStar names) not linked" rr_8psh 1
9 4 9 1 "Not handling restraint 9, resonance(s) '1.6.C4'' (nmrStar names),'1.6.C3'' (nmrStar names),'1.6.O3'' (nmrStar names),'1.7.P' (nmrStar names) not linked" rr_8psh 1
10 4 10 1 "Not handling restraint 10, resonance(s) '1.7.C4'' (nmrStar names),'1.7.C3'' (nmrStar names),'1.7.O3'' (nmrStar names),'1.8.P' (nmrStar names) not linked" rr_8psh 1
11 4 11 1 "Not handling restraint 11, resonance(s) '1.8.P' (nmrStar names),'1.8.O5'' (nmrStar names),'1.8.C5'' (nmrStar names),'1.8.C4'' (nmrStar names) not linked" rr_8psh 1
12 4 12 1 "Not handling restraint 12, resonance(s) '1.8.O5'' (nmrStar names),'1.8.C5'' (nmrStar names),'1.8.C4'' (nmrStar names),'1.8.C3'' (nmrStar names) not linked" rr_8psh 1
stop_
save_
save_MR_file_comment_1
_Org_constr_file_comment.Sf_framecode MR_file_comment_1
_Org_constr_file_comment.Sf_category org_constr_file_comment
_Org_constr_file_comment.Entry_ID rr_8psh
_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 HYBRID DNA/RNA 13-OCT-97 8PSH *TITLE HIGH RESOLUTION NMR STRUCTURE OF THE STEREOREGULAR *TITLE 2 (ALL-RP)-PHOSPHOROTHIOATE-DNA/RNA HYBRID D *TITLE 3 (G*PS*C*PS*G*PS*T*PS*C*PS*A*PS*G*PS*G)R(CCUGACGC), *TITLE 4 MINIMIZED AVERAGE STRUCTURE *COMPND MOL_ID: 1; *COMPND 2 MOLECULE: (ALL-RP)-D(G*PS*C*PS*G*PS*T*PS*C*PS*A*PS*G*PS*G)R
*COMPND 3 (CCUGACGC); *COMPND 4 CHAIN: A, B; *COMPND 5 ENGINEERED: YES *SOURCE MOL_ID: 1; *SOURCE 2 SYNTHETIC: NON-BIOLOGICAL SEQUENCE *KEYWDS OLIGONUCLEOTIDE, DNA/RNA HYBRID, PHOSPHOROTHIOATE, *KEYWDS 2 THIONUCLEOTIDE, ANTISENSE *EXPDTA NMR, MINIMIZED AVERAGE STRUCTURE *AUTHOR M.BACHELIN,G.HESSLER,G.KURZ,J.G.HACIA,P.B.DERVAN,H.KESSLER *REVDAT 1 27-MAY-98 8PSH 0
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