NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | item_count |
|
|
387912 |
1mv2   |
5587 | cing | 3-converted-DOCR | STAR | entry | full | 278 |
data_DOCR_restraints_with_modified_coordinates_PDB_code_1mv2
# This DOCR archive file contains, for PDB entry <1mv2>:
#
# - 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_1mv2
_Entry.Title "wwPDB remediated NMR restraints for PDB entry 1mv2"
_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 1mv2"
save_
save_assembly
_Assembly.Sf_category assembly
_Assembly.Sf_framecode assembly
_Assembly.Entry_ID rr_1mv2
_Assembly.ID 1
_Assembly.Name 1mv2
_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 5875.56568
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 "5 R GP GP CP AP P5P P GP CP CP U 3" 1 $5__R__GP_GP_CP_AP__P5P_P_GP_CP_CP_U__3_ A . no . . . . . . rr_1mv2 1
2 "5 R GP GP CP AP P5P P GP CP CP U 3" 1 $5__R__GP_GP_CP_AP__P5P_P_GP_CP_CP_U__3_ B . no . . . . . . rr_1mv2 1
stop_
save_
save_5__R__GP_GP_CP_AP__P5P_P_GP_CP_CP_U__3_
_Entity.Sf_category entity
_Entity.Sf_framecode 5__R__GP_GP_CP_AP__P5P_P_GP_CP_CP_U__3_
_Entity.Entry_ID rr_1mv2
_Entity.ID 1
_Entity.Name 5__R__GP_GP_CP_AP__P5P_P_GP_CP_CP_U__3_
_Entity.Type polymer
_Entity.Polymer_type polyribonucleotide
_Entity.Polymer_strand_ID A,B
_Entity.Polymer_seq_one_letter_code GGCAXGCCU
_Entity.Ambiguous_conformational_states no
_Entity.Ambiguous_chem_comp_sites no
_Entity.Nstd_monomer yes
_Entity.Nstd_chirality yes
_Entity.Nstd_linkage yes
_Entity.Number_of_monomers 9
_Entity.Paramagnetic no
_Entity.Thiol_state "not present"
_Entity.Parent_entity_ID 1
_Entity.Formula_weight 2937.78284
loop_
_Entity_comp_index.ID
_Entity_comp_index.Auth_seq_ID
_Entity_comp_index.Comp_ID
_Entity_comp_index.Comp_label
_Entity_comp_index.Entry_ID
_Entity_comp_index.Entity_ID
1 . G . rr_1mv2 1
2 . G . rr_1mv2 1
3 . C . rr_1mv2 1
4 . A . rr_1mv2 1
5 . P5P . rr_1mv2 1
6 . G . rr_1mv2 1
7 . C . rr_1mv2 1
8 . C . rr_1mv2 1
9 . U . rr_1mv2 1
stop_
loop_
_Entity_poly_seq.Hetero
_Entity_poly_seq.Mon_ID
_Entity_poly_seq.Num
_Entity_poly_seq.Comp_index_ID
_Entity_poly_seq.Entry_ID
_Entity_poly_seq.Entity_ID
. G 1 1 rr_1mv2 1
. G 2 2 rr_1mv2 1
. C 3 3 rr_1mv2 1
. A 4 4 rr_1mv2 1
. P5P 5 5 rr_1mv2 1
. G 6 6 rr_1mv2 1
. C 7 7 rr_1mv2 1
. C 8 8 rr_1mv2 1
. U 9 9 rr_1mv2 1
stop_
save_
save_chem_comp_P5P
_Chem_comp.Sf_category chem_comp
_Chem_comp.Sf_framecode chem_comp_P5P
_Chem_comp.Entry_ID rr_1mv2
_Chem_comp.ID P5P
_Chem_comp.Name "PURINE RIBOSIDE-5'-MONOPHOSPHATE"
_Chem_comp.Type non-polymer
_Chem_comp.PDB_code P5P
_Chem_comp.Formal_charge 0
_Chem_comp.Paramagnetic no
_Chem_comp.Aromatic yes
_Chem_comp.Formula "C10 H13 N4 O7 P"
_Chem_comp.Formula_weight 332.20906
save_
save_conformer_statistics
_Conformer_stat_list.Sf_category conformer_statistics
_Conformer_stat_list.Sf_framecode conformer_statistics
_Conformer_stat_list.Entry_ID rr_1mv2
_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_1mv2
_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_1mv2 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_1mv2 1
stop_
loop_
_Atom_site.Assembly_ID
_Atom_site.Model_ID
_Atom_site.Model_site_ID
_Atom_site.ID
_Atom_site.Assembly_atom_ID
_Atom_site.Label_entity_assembly_ID
_Atom_site.Label_entity_ID
_Atom_site.Label_comp_index_ID
_Atom_site.Label_comp_ID
_Atom_site.Label_atom_ID
_Atom_site.Type_symbol
_Atom_site.Cartn_x
_Atom_site.Cartn_y
_Atom_site.Cartn_z
_Atom_site.Cartn_x_esd
_Atom_site.Cartn_y_esd
_Atom_site.Cartn_z_esd
_Atom_site.Occupancy
_Atom_site.Occupancy_esd
_Atom_site.Uncertainty
_Atom_site.Ordered_flag
_Atom_site.Footnote_ID
_Atom_site.PDBX_label_asym_ID
_Atom_site.PDBX_label_seq_ID
_Atom_site.PDBX_label_comp_ID
_Atom_site.PDBX_label_atom_ID
_Atom_site.PDBX_formal_charge
_Atom_site.PDBX_label_entity_ID
_Atom_site.PDB_record_ID
_Atom_site.PDB_model_num
_Atom_site.PDB_strand_ID
_Atom_site.PDB_ins_code
_Atom_site.PDB_residue_no
_Atom_site.PDB_residue_name
_Atom_site.PDB_atom_name
_Atom_site.Auth_entity_assembly_ID
_Atom_site.Auth_asym_ID
_Atom_site.Auth_chain_ID
_Atom_site.Auth_seq_ID
_Atom_site.Auth_comp_ID
_Atom_site.Auth_atom_ID
_Atom_site.Auth_alt_ID
_Atom_site.Auth_atom_name
_Atom_site.Details
_Atom_site.Entry_ID
_Atom_site.Conformer_family_coord_set_ID
. 1 . 1 . 1 1 1 G C1' C 10.086 -1.938 -9.050 . . . 1.0 . . . . . . . . . . . . A . 1 G C1' . . . . . . . . . rr_1mv2 1
. 1 . 2 . 1 1 1 G C2 C 7.514 1.578 -9.553 . . . 1.0 . . . . . . . . . . . . A . 1 G C2 . . . . . . . . . rr_1mv2 1
. 1 . 3 . 1 1 1 G C2' C 10.511 -1.360 -7.697 . . . 1.0 . . . . . . . . . . . . A . 1 G C2' . . . . . . . . . rr_1mv2 1
. 1 . 4 . 1 1 1 G C3' C 10.469 -2.604 -6.812 . . . 1.0 . . . . . . . . . . . . A . 1 G C3' . . . . . . . . . rr_1mv2 1
. 1 . 5 . 1 1 1 G C4 C 7.921 -0.636 -9.388 . . . 1.0 . . . . . . . . . . . . A . 1 G C4 . . . . . . . . . rr_1mv2 1
. 1 . 6 . 1 1 1 G C4' C 11.053 -3.624 -7.789 . . . 1.0 . . . . . . . . . . . . A . 1 G C4' . . . . . . . . . rr_1mv2 1
. 1 . 7 . 1 1 1 G C5 C 6.589 -0.980 -9.470 . . . 1.0 . . . . . . . . . . . . A . 1 G C5 . . . . . . . . . rr_1mv2 1
. 1 . 8 . 1 1 1 G C5' C 10.822 -5.086 -7.390 . . . 1.0 . . . . . . . . . . . . A . 1 G C5' . . . . . . . . . rr_1mv2 1
. 1 . 9 . 1 1 1 G C6 C 5.606 0.055 -9.610 . . . 1.0 . . . . . . . . . . . . A . 1 G C6 . . . . . . . . . rr_1mv2 1
. 1 . 10 . 1 1 1 G C8 C 7.664 -2.800 -9.264 . . . 1.0 . . . . . . . . . . . . A . 1 G C8 . . . . . . . . . rr_1mv2 1
. 1 . 11 . 1 1 1 G H1 H 5.517 2.102 -9.681 . . . 1.0 . . . . . . . . . . . . A . 1 G H1 . . . . . . . . . rr_1mv2 1
. 1 . 12 . 1 1 1 G H1' H 10.590 -1.396 -9.852 . . . 1.0 . . . . . . . . . . . . A . 1 G H1' . . . . . . . . . rr_1mv2 1
. 1 . 13 . 1 1 1 G H2' H 9.830 -0.588 -7.342 . . . 1.0 . . . . . . . . . . . . A . 1 G H2' . . . . . . . . . rr_1mv2 1
. 1 . 14 . 1 1 1 G H21 H 7.193 3.588 -9.631 . . . 1.0 . . . . . . . . . . . . A . 1 G H21 . . . . . . . . . rr_1mv2 1
. 1 . 15 . 1 1 1 G H22 H 8.876 3.056 -9.573 . . . 1.0 . . . . . . . . . . . . A . 1 G H22 . . . . . . . . . rr_1mv2 1
. 1 . 16 . 1 1 1 G H3' H 9.433 -2.866 -6.590 . . . 1.0 . . . . . . . . . . . . A . 1 G H3' . . . . . . . . . rr_1mv2 1
. 1 . 17 . 1 1 1 G H4' H 12.129 -3.455 -7.855 . . . 1.0 . . . . . . . . . . . . A . 1 G H4' . . . . . . . . . rr_1mv2 1
. 1 . 18 . 1 1 1 G H5' H 11.286 -5.738 -8.132 . . . 1.0 . . . . . . . . . . . . A . 1 G H5' . . . . . . . . . rr_1mv2 1
. 1 . 19 . 1 1 1 G H5'' H 11.293 -5.267 -6.423 . . . 1.0 . . . . . . . . . . . . A . 1 G H5'' . . . . . . . . . rr_1mv2 1
. 1 . 20 . 1 1 1 G H8 H 7.898 -3.849 -9.179 . . . 1.0 . . . . . . . . . . . . A . 1 G H8 . . . . . . . . . rr_1mv2 1
. 1 . 21 . 1 1 1 G HO2' H 12.201 -0.793 -6.935 . . . 1.0 . . . . . . . . . . . . A . 1 G HO2' . . . . . . . . . rr_1mv2 1
. 1 . 22 . 1 1 1 G HO5' H 9.066 -5.358 -8.176 . . . 1.0 . . . . . . . . . . . . A . 1 G HO5' . . . . . . . . . rr_1mv2 1
. 1 . 23 . 1 1 1 G N1 N 6.163 1.328 -9.609 . . . 1.0 . . . . . . . . . . . . A . 1 G N1 . . . . . . . . . rr_1mv2 1
. 1 . 24 . 1 1 1 G N2 N 7.891 2.849 -9.600 . . . 1.0 . . . . . . . . . . . . A . 1 G N2 . . . . . . . . . rr_1mv2 1
. 1 . 25 . 1 1 1 G N3 N 8.447 0.624 -9.434 . . . 1.0 . . . . . . . . . . . . A . 1 G N3 . . . . . . . . . rr_1mv2 1
. 1 . 26 . 1 1 1 G N7 N 6.444 -2.364 -9.403 . . . 1.0 . . . . . . . . . . . . A . 1 G N7 . . . . . . . . . rr_1mv2 1
. 1 . 27 . 1 1 1 G N9 N 8.618 -1.813 -9.232 . . . 1.0 . . . . . . . . . . . . A . 1 G N9 . . . . . . . . . rr_1mv2 1
. 1 . 28 . 1 1 1 G O2' O 11.824 -0.840 -7.817 . . . 1.0 . . . . . . . . . . . . A . 1 G O2' . . . . . . . . . rr_1mv2 1
. 1 . 29 . 1 1 1 G O3' O 11.233 -2.469 -5.622 . . . 1.0 . . . . . . . . . . . . A . 1 G O3' . . . . . . . . . rr_1mv2 1
. 1 . 30 . 1 1 1 G O4' O 10.475 -3.312 -9.050 . . . 1.0 . . . . . . . . . . . . A . 1 G O4' . . . . . . . . . rr_1mv2 1
. 1 . 31 . 1 1 1 G O5' O 9.446 -5.394 -7.295 . . . 1.0 . . . . . . . . . . . . A . 1 G O5' . . . . . . . . . rr_1mv2 1
. 1 . 32 . 1 1 1 G O6 O 4.387 -0.052 -9.729 . . . 1.0 . . . . . . . . . . . . A . 1 G O6 . . . . . . . . . rr_1mv2 1
. 1 . 33 . 1 1 2 G C1' C 8.940 2.761 -6.263 . . . 1.0 . . . . . . . . . . . . A . 2 G C1' . . . . . . . . . rr_1mv2 1
. 1 . 34 . 1 1 2 G C2 C 4.851 4.237 -6.511 . . . 1.0 . . . . . . . . . . . . A . 2 G C2 . . . . . . . . . rr_1mv2 1
. 1 . 35 . 1 1 2 G C2' C 9.130 3.596 -4.999 . . . 1.0 . . . . . . . . . . . . A . 2 G C2' . . . . . . . . . rr_1mv2 1
. 1 . 36 . 1 1 2 G C3' C 9.877 2.613 -4.104 . . . 1.0 . . . . . . . . . . . . A . 2 G C3' . . . . . . . . . rr_1mv2 1
. 1 . 37 . 1 1 2 G C4 C 6.410 2.618 -6.330 . . . 1.0 . . . . . . . . . . . . A . 2 G C4 . . . . . . . . . rr_1mv2 1
. 1 . 38 . 1 1 2 G C4' C 10.800 1.962 -5.134 . . . 1.0 . . . . . . . . . . . . A . 2 G C4' . . . . . . . . . rr_1mv2 1
. 1 . 39 . 1 1 2 G C5 C 5.489 1.594 -6.357 . . . 1.0 . . . . . . . . . . . . A . 2 G C5 . . . . . . . . . rr_1mv2 1
. 1 . 40 . 1 1 2 G C5' C 11.342 0.602 -4.689 . . . 1.0 . . . . . . . . . . . . A . 2 G C5' . . . . . . . . . rr_1mv2 1
. 1 . 41 . 1 1 2 G C6 C 4.098 1.913 -6.515 . . . 1.0 . . . . . . . . . . . . A . 2 G C6 . . . . . . . . . rr_1mv2 1
. 1 . 42 . 1 1 2 G C8 C 7.400 0.685 -6.127 . . . 1.0 . . . . . . . . . . . . A . 2 G C8 . . . . . . . . . rr_1mv2 1
. 1 . 43 . 1 1 2 G H1 H 2.901 3.572 -6.663 . . . 1.0 . . . . . . . . . . . . A . 2 G H1 . . . . . . . . . rr_1mv2 1
. 1 . 44 . 1 1 2 G H1' H 8.931 3.424 -7.129 . . . 1.0 . . . . . . . . . . . . A . 2 G H1' . . . . . . . . . rr_1mv2 1
. 1 . 45 . 1 1 2 G H2' H 8.184 3.909 -4.556 . . . 1.0 . . . . . . . . . . . . A . 2 G H2' . . . . . . . . . rr_1mv2 1
. 1 . 46 . 1 1 2 G H21 H 3.487 5.752 -6.597 . . . 1.0 . . . . . . . . . . . . A . 2 G H21 . . . . . . . . . rr_1mv2 1
. 1 . 47 . 1 1 2 G H22 H 5.189 6.212 -6.493 . . . 1.0 . . . . . . . . . . . . A . 2 G H22 . . . . . . . . . rr_1mv2 1
. 1 . 48 . 1 1 2 G H3' H 9.185 1.866 -3.712 . . . 1.0 . . . . . . . . . . . . A . 2 G H3' . . . . . . . . . rr_1mv2 1
. 1 . 49 . 1 1 2 G H4' H 11.642 2.634 -5.307 . . . 1.0 . . . . . . . . . . . . A . 2 G H4' . . . . . . . . . rr_1mv2 1
. 1 . 50 . 1 1 2 G H5' H 12.084 0.266 -5.412 . . . 1.0 . . . . . . . . . . . . A . 2 G H5' . . . . . . . . . rr_1mv2 1
. 1 . 51 . 1 1 2 G H5'' H 11.826 0.710 -3.717 . . . 1.0 . . . . . . . . . . . . A . 2 G H5'' . . . . . . . . . rr_1mv2 1
. 1 . 52 . 1 1 2 G H8 H 8.179 -0.052 -6.009 . . . 1.0 . . . . . . . . . . . . A . 2 G H8 . . . . . . . . . rr_1mv2 1
. 1 . 53 . 1 1 2 G HO2' H 10.391 4.990 -4.527 . . . 1.0 . . . . . . . . . . . . A . 2 G HO2' . . . . . . . . . rr_1mv2 1
. 1 . 54 . 1 1 2 G N1 N 3.864 3.282 -6.566 . . . 1.0 . . . . . . . . . . . . A . 2 G N1 . . . . . . . . . rr_1mv2 1
. 1 . 55 . 1 1 2 G N2 N 4.472 5.508 -6.544 . . . 1.0 . . . . . . . . . . . . A . 2 G N2 . . . . . . . . . rr_1mv2 1
. 1 . 56 . 1 1 2 G N3 N 6.155 3.956 -6.408 . . . 1.0 . . . . . . . . . . . . A . 2 G N3 . . . . . . . . . rr_1mv2 1
. 1 . 57 . 1 1 2 G N7 N 6.138 0.368 -6.214 . . . 1.0 . . . . . . . . . . . . A . 2 G N7 . . . . . . . . . rr_1mv2 1
. 1 . 58 . 1 1 2 G N9 N 7.649 2.032 -6.221 . . . 1.0 . . . . . . . . . . . . A . 2 G N9 . . . . . . . . . rr_1mv2 1
. 1 . 59 . 1 1 2 G O2' O 9.926 4.723 -5.324 . . . 1.0 . . . . . . . . . . . . A . 2 G O2' . . . . . . . . . rr_1mv2 1
. 1 . 60 . 1 1 2 G O3' O 10.580 3.272 -3.063 . . . 1.0 . . . . . . . . . . . . A . 2 G O3' . . . . . . . . . rr_1mv2 1
. 1 . 61 . 1 1 2 G O4' O 10.049 1.870 -6.338 . . . 1.0 . . . . . . . . . . . . A . 2 G O4' . . . . . . . . . rr_1mv2 1
. 1 . 62 . 1 1 2 G O5' O 10.297 -0.348 -4.599 . . . 1.0 . . . . . . . . . . . . A . 2 G O5' . . . . . . . . . rr_1mv2 1
. 1 . 63 . 1 1 2 G O6 O 3.136 1.153 -6.597 . . . 1.0 . . . . . . . . . . . . A . 2 G O6 . . . . . . . . . rr_1mv2 1
. 1 . 64 . 1 1 2 G OP1 O 11.622 -1.955 -3.199 . . . 1.0 . . . . . . . . . . . . A . 2 G OP1 . . . . . . . . . rr_1mv2 1
. 1 . 65 . 1 1 2 G OP2 O 9.283 -2.566 -4.039 . . . 1.0 . . . . . . . . . . . . A . 2 G OP2 . . . . . . . . . rr_1mv2 1
. 1 . 66 . 1 1 2 G P P 10.585 -1.897 -4.253 . . . 1.0 . . . . . . . . . . . . A . 2 G P . . . . . . . . . rr_1mv2 1
. 1 . 67 . 1 1 3 C C1' C 5.364 6.262 -3.124 . . . 1.0 . . . . . . . . . . . . A . 3 C C1' . . . . . . . . . rr_1mv2 1
. 1 . 68 . 1 1 3 C C2 C 3.286 4.899 -3.309 . . . 1.0 . . . . . . . . . . . . A . 3 C C2 . . . . . . . . . rr_1mv2 1
. 1 . 69 . 1 1 3 C C2' C 5.314 6.914 -1.739 . . . 1.0 . . . . . . . . . . . . A . 3 C C2' . . . . . . . . . rr_1mv2 1
. 1 . 70 . 1 1 3 C C3' C 6.674 6.534 -1.161 . . . 1.0 . . . . . . . . . . . . A . 3 C C3' . . . . . . . . . rr_1mv2 1
. 1 . 71 . 1 1 3 C C4 C 3.347 2.560 -3.284 . . . 1.0 . . . . . . . . . . . . A . 3 C C4 . . . . . . . . . rr_1mv2 1
. 1 . 72 . 1 1 3 C C4' C 7.538 6.652 -2.412 . . . 1.0 . . . . . . . . . . . . A . 3 C C4' . . . . . . . . . rr_1mv2 1
. 1 . 73 . 1 1 3 C C5 C 4.762 2.555 -3.059 . . . 1.0 . . . . . . . . . . . . A . 3 C C5 . . . . . . . . . rr_1mv2 1
. 1 . 74 . 1 1 3 C C5' C 8.878 5.923 -2.259 . . . 1.0 . . . . . . . . . . . . A . 3 C C5' . . . . . . . . . rr_1mv2 1
. 1 . 75 . 1 1 3 C C6 C 5.382 3.758 -2.985 . . . 1.0 . . . . . . . . . . . . A . 3 C C6 . . . . . . . . . rr_1mv2 1
. 1 . 76 . 1 1 3 C H1' H 4.857 6.917 -3.834 . . . 1.0 . . . . . . . . . . . . A . 3 C H1' . . . . . . . . . rr_1mv2 1
. 1 . 77 . 1 1 3 C H2' H 4.499 6.519 -1.138 . . . 1.0 . . . . . . . . . . . . A . 3 C H2' . . . . . . . . . rr_1mv2 1
. 1 . 78 . 1 1 3 C H3' H 6.648 5.492 -0.837 . . . 1.0 . . . . . . . . . . . . A . 3 C H3' . . . . . . . . . rr_1mv2 1
. 1 . 79 . 1 1 3 C H4' H 7.734 7.710 -2.593 . . . 1.0 . . . . . . . . . . . . A . 3 C H4' . . . . . . . . . rr_1mv2 1
. 1 . 80 . 1 1 3 C H41 H 1.704 1.457 -3.655 . . . 1.0 . . . . . . . . . . . . A . 3 C H41 . . . . . . . . . rr_1mv2 1
. 1 . 81 . 1 1 3 C H42 H 3.187 0.542 -3.416 . . . 1.0 . . . . . . . . . . . . A . 3 C H42 . . . . . . . . . rr_1mv2 1
. 1 . 82 . 1 1 3 C H5 H 5.339 1.648 -2.964 . . . 1.0 . . . . . . . . . . . . A . 3 C H5 . . . . . . . . . rr_1mv2 1
. 1 . 83 . 1 1 3 C H5' H 9.455 6.039 -3.174 . . . 1.0 . . . . . . . . . . . . A . 3 C H5' . . . . . . . . . rr_1mv2 1
. 1 . 84 . 1 1 3 C H5'' H 9.429 6.386 -1.439 . . . 1.0 . . . . . . . . . . . . A . 3 C H5'' . . . . . . . . . rr_1mv2 1
. 1 . 85 . 1 1 3 C H6 H 6.450 3.785 -2.829 . . . 1.0 . . . . . . . . . . . . A . 3 C H6 . . . . . . . . . rr_1mv2 1
. 1 . 86 . 1 1 3 C HO2' H 5.089 8.704 -1.023 . . . 1.0 . . . . . . . . . . . . A . 3 C HO2' . . . . . . . . . rr_1mv2 1
. 1 . 87 . 1 1 3 C N1 N 4.678 4.934 -3.124 . . . 1.0 . . . . . . . . . . . . A . 3 C N1 . . . . . . . . . rr_1mv2 1
. 1 . 88 . 1 1 3 C N3 N 2.656 3.695 -3.399 . . . 1.0 . . . . . . . . . . . . A . 3 C N3 . . . . . . . . . rr_1mv2 1
. 1 . 89 . 1 1 3 C N4 N 2.692 1.417 -3.424 . . . 1.0 . . . . . . . . . . . . A . 3 C N4 . . . . . . . . . rr_1mv2 1
. 1 . 90 . 1 1 3 C O2 O 2.620 5.931 -3.395 . . . 1.0 . . . . . . . . . . . . A . 3 C O2 . . . . . . . . . rr_1mv2 1
. 1 . 91 . 1 1 3 C O2' O 5.166 8.313 -1.898 . . . 1.0 . . . . . . . . . . . . A . 3 C O2' . . . . . . . . . rr_1mv2 1
. 1 . 92 . 1 1 3 C O3' O 7.137 7.385 -0.122 . . . 1.0 . . . . . . . . . . . . A . 3 C O3' . . . . . . . . . rr_1mv2 1
. 1 . 93 . 1 1 3 C O4' O 6.743 6.158 -3.483 . . . 1.0 . . . . . . . . . . . . A . 3 C O4' . . . . . . . . . rr_1mv2 1
. 1 . 94 . 1 1 3 C O5' O 8.677 4.549 -1.974 . . . 1.0 . . . . . . . . . . . . A . 3 C O5' . . . . . . . . . rr_1mv2 1
. 1 . 95 . 1 1 3 C OP1 O 10.874 4.275 -0.786 . . . 1.0 . . . . . . . . . . . . A . 3 C OP1 . . . . . . . . . rr_1mv2 1
. 1 . 96 . 1 1 3 C OP2 O 9.315 2.277 -1.142 . . . 1.0 . . . . . . . . . . . . A . 3 C OP2 . . . . . . . . . rr_1mv2 1
. 1 . 97 . 1 1 3 C P P 9.896 3.549 -1.626 . . . 1.0 . . . . . . . . . . . . A . 3 C P . . . . . . . . . rr_1mv2 1
. 1 . 98 . 1 1 4 A C1' C 1.735 7.280 0.400 . . . 1.0 . . . . . . . . . . . . A . 4 A C1' . . . . . . . . . rr_1mv2 1
. 1 . 99 . 1 1 4 A C2 C -1.041 4.234 -0.896 . . . 1.0 . . . . . . . . . . . . A . 4 A C2 . . . . . . . . . rr_1mv2 1
. 1 . 100 . 1 1 4 A C2' C 1.245 7.442 1.835 . . . 1.0 . . . . . . . . . . . . A . 4 A C2' . . . . . . . . . rr_1mv2 1
. 1 . 101 . 1 1 4 A C3' C 2.533 7.774 2.578 . . . 1.0 . . . . . . . . . . . . A . 4 A C3' . . . . . . . . . rr_1mv2 1
. 1 . 102 . 1 1 4 A C4 C 0.964 4.979 -0.286 . . . 1.0 . . . . . . . . . . . . A . 4 A C4 . . . . . . . . . rr_1mv2 1
. 1 . 103 . 1 1 4 A C4' C 3.263 8.608 1.526 . . . 1.0 . . . . . . . . . . . . A . 4 A C4' . . . . . . . . . rr_1mv2 1
. 1 . 104 . 1 1 4 A C5 C 1.504 3.719 -0.259 . . . 1.0 . . . . . . . . . . . . A . 4 A C5 . . . . . . . . . rr_1mv2 1
. 1 . 105 . 1 1 4 A C5' C 4.783 8.634 1.703 . . . 1.0 . . . . . . . . . . . . A . 4 A C5' . . . . . . . . . rr_1mv2 1
. 1 . 106 . 1 1 4 A C6 C 0.620 2.671 -0.613 . . . 1.0 . . . . . . . . . . . . A . 4 A C6 . . . . . . . . . rr_1mv2 1
. 1 . 107 . 1 1 4 A C8 C 3.033 5.035 0.394 . . . 1.0 . . . . . . . . . . . . A . 4 A C8 . . . . . . . . . rr_1mv2 1
. 1 . 108 . 1 1 4 A H1' H 0.970 7.653 -0.283 . . . 1.0 . . . . . . . . . . . . A . 4 A H1' . . . . . . . . . rr_1mv2 1
. 1 . 109 . 1 1 4 A H2 H -2.073 4.437 -1.137 . . . 1.0 . . . . . . . . . . . . A . 4 A H2 . . . . . . . . . rr_1mv2 1
. 1 . 110 . 1 1 4 A H2' H 0.816 6.517 2.212 . . . 1.0 . . . . . . . . . . . . A . 4 A H2' . . . . . . . . . rr_1mv2 1
. 1 . 111 . 1 1 4 A H3' H 3.092 6.854 2.756 . . . 1.0 . . . . . . . . . . . . A . 4 A H3' . . . . . . . . . rr_1mv2 1
. 1 . 112 . 1 1 4 A H4' H 2.878 9.627 1.573 . . . 1.0 . . . . . . . . . . . . A . 4 A H4' . . . . . . . . . rr_1mv2 1
. 1 . 113 . 1 1 4 A H5' H 5.215 9.276 0.935 . . . 1.0 . . . . . . . . . . . . A . 4 A H5' . . . . . . . . . rr_1mv2 1
. 1 . 114 . 1 1 4 A H5'' H 5.029 9.038 2.686 . . . 1.0 . . . . . . . . . . . . A . 4 A H5'' . . . . . . . . . rr_1mv2 1
. 1 . 115 . 1 1 4 A H61 H 0.277 0.710 -0.939 . . . 1.0 . . . . . . . . . . . . A . 4 A H61 . . . . . . . . . rr_1mv2 1
. 1 . 116 . 1 1 4 A H62 H 1.913 1.125 -0.427 . . . 1.0 . . . . . . . . . . . . A . 4 A H62 . . . . . . . . . rr_1mv2 1
. 1 . 117 . 1 1 4 A H8 H 3.971 5.414 0.770 . . . 1.0 . . . . . . . . . . . . A . 4 A H8 . . . . . . . . . rr_1mv2 1
. 1 . 118 . 1 1 4 A HO2' H -0.025 8.563 2.785 . . . 1.0 . . . . . . . . . . . . A . 4 A HO2' . . . . . . . . . rr_1mv2 1
. 1 . 119 . 1 1 4 A N1 N -0.654 2.959 -0.921 . . . 1.0 . . . . . . . . . . . . A . 4 A N1 . . . . . . . . . rr_1mv2 1
. 1 . 120 . 1 1 4 A N3 N -0.317 5.311 -0.605 . . . 1.0 . . . . . . . . . . . . A . 4 A N3 . . . . . . . . . rr_1mv2 1
. 1 . 121 . 1 1 4 A N6 N 0.963 1.385 -0.646 . . . 1.0 . . . . . . . . . . . . A . 4 A N6 . . . . . . . . . rr_1mv2 1
. 1 . 122 . 1 1 4 A N7 N 2.836 3.767 0.155 . . . 1.0 . . . . . . . . . . . . A . 4 A N7 . . . . . . . . . rr_1mv2 1
. 1 . 123 . 1 1 4 A N9 N 1.951 5.840 0.123 . . . 1.0 . . . . . . . . . . . . A . 4 A N9 . . . . . . . . . rr_1mv2 1
. 1 . 124 . 1 1 4 A O2' O 0.296 8.491 1.878 . . . 1.0 . . . . . . . . . . . . A . 4 A O2' . . . . . . . . . rr_1mv2 1
. 1 . 125 . 1 1 4 A O3' O 2.314 8.464 3.798 . . . 1.0 . . . . . . . . . . . . A . 4 A O3' . . . . . . . . . rr_1mv2 1
. 1 . 126 . 1 1 4 A O4' O 2.919 8.053 0.262 . . . 1.0 . . . . . . . . . . . . A . 4 A O4' . . . . . . . . . rr_1mv2 1
. 1 . 127 . 1 1 4 A O5' O 5.305 7.323 1.581 . . . 1.0 . . . . . . . . . . . . A . 4 A O5' . . . . . . . . . rr_1mv2 1
. 1 . 128 . 1 1 4 A OP1 O 7.616 8.042 2.250 . . . 1.0 . . . . . . . . . . . . A . 4 A OP1 . . . . . . . . . rr_1mv2 1
. 1 . 129 . 1 1 4 A OP2 O 7.123 5.602 1.649 . . . 1.0 . . . . . . . . . . . . A . 4 A OP2 . . . . . . . . . rr_1mv2 1
. 1 . 130 . 1 1 4 A P P 6.883 7.046 1.436 . . . 1.0 . . . . . . . . . . . . A . 4 A P . . . . . . . . . rr_1mv2 1
. 1 . 131 . 1 1 5 P5P C1' C -3.341 7.453 3.257 . . . 1.0 . . . . . . . . . . . . A . 5 P5P C1' . . . . . . . . . rr_1mv2 1
. 1 . 132 . 1 1 5 P5P C2 C -5.552 4.134 1.522 . . . 1.0 . . . . . . . . . . . . A . 5 P5P C2 . . . . . . . . . rr_1mv2 1
. 1 . 133 . 1 1 5 P5P C2' C -3.984 7.285 4.630 . . . 1.0 . . . . . . . . . . . . A . 5 P5P C2' . . . . . . . . . rr_1mv2 1
. 1 . 134 . 1 1 5 P5P C3' C -2.783 7.500 5.548 . . . 1.0 . . . . . . . . . . . . A . 5 P5P C3' . . . . . . . . . rr_1mv2 1
. 1 . 135 . 1 1 5 P5P C4 C -3.710 5.171 2.226 . . . 1.0 . . . . . . . . . . . . A . 5 P5P C4 . . . . . . . . . rr_1mv2 1
. 1 . 136 . 1 1 5 P5P C4' C -2.097 8.650 4.806 . . . 1.0 . . . . . . . . . . . . A . 5 P5P C4' . . . . . . . . . rr_1mv2 1
. 1 . 137 . 1 1 5 P5P C5 C -2.914 4.082 1.976 . . . 1.0 . . . . . . . . . . . . A . 5 P5P C5 . . . . . . . . . rr_1mv2 1
. 1 . 138 . 1 1 5 P5P C5' C -0.626 8.863 5.175 . . . 1.0 . . . . . . . . . . . . A . 5 P5P C5' . . . . . . . . . rr_1mv2 1
. 1 . 139 . 1 1 5 P5P C6 C -3.569 2.956 1.434 . . . 1.0 . . . . . . . . . . . . A . 5 P5P C6 . . . . . . . . . rr_1mv2 1
. 1 . 140 . 1 1 5 P5P C8 C -1.658 5.533 2.866 . . . 1.0 . . . . . . . . . . . . A . 5 P5P C8 . . . . . . . . . rr_1mv2 1
. 1 . 141 . 1 1 5 P5P H1' H -4.071 7.850 2.550 . . . 1.0 . . . . . . . . . . . . A . 5 P5P H1' . . . . . . . . . rr_1mv2 1
. 1 . 142 . 1 1 5 P5P H2 H -6.616 4.128 1.335 . . . 1.0 . . . . . . . . . . . . A . 5 P5P H2 . . . . . . . . . rr_1mv2 1
. 1 . 143 . 1 1 5 P5P H2' H -4.419 6.294 4.760 . . . 1.0 . . . . . . . . . . . . A . 5 P5P H2' . . . . . . . . . rr_1mv2 1
. 1 . 144 . 1 1 5 P5P H3' H -2.136 6.621 5.533 . . . 1.0 . . . . . . . . . . . . A . 5 P5P H3' . . . . . . . . . rr_1mv2 1
. 1 . 145 . 1 1 5 P5P H4' H -2.642 9.569 5.027 . . . 1.0 . . . . . . . . . . . . A . 5 P5P H4' . . . . . . . . . rr_1mv2 1
. 1 . 146 . 1 1 5 P5P H5'1 H -0.242 9.723 4.625 . . . 1.0 . . . . . . . . . . . . A . 5 P5P H5'1 . . . . . . . . . rr_1mv2 1
. 1 . 147 . 1 1 5 P5P H5'2 H -0.555 9.070 6.244 . . . 1.0 . . . . . . . . . . . . A . 5 P5P H5'2 . . . . . . . . . rr_1mv2 1
. 1 . 148 . 1 1 5 P5P H6 H -3.014 2.059 1.211 . . . 1.0 . . . . . . . . . . . . A . 5 P5P H6 . . . . . . . . . rr_1mv2 1
. 1 . 149 . 1 1 5 P5P H8 H -0.809 6.021 3.317 . . . 1.0 . . . . . . . . . . . . A . 5 P5P H8 . . . . . . . . . rr_1mv2 1
. 1 . 150 . 1 1 5 P5P HO2' H -5.036 8.469 5.746 . . . 1.0 . . . . . . . . . . . . A . 5 P5P HO2' . . . . . . . . . rr_1mv2 1
. 1 . 151 . 1 1 5 P5P N1 N -4.906 3.007 1.233 . . . 1.0 . . . . . . . . . . . . A . 5 P5P N1 . . . . . . . . . rr_1mv2 1
. 1 . 152 . 1 1 5 P5P N3 N -5.053 5.266 2.011 . . . 1.0 . . . . . . . . . . . . A . 5 P5P N3 . . . . . . . . . rr_1mv2 1
. 1 . 153 . 1 1 5 P5P N7 N -1.604 4.326 2.377 . . . 1.0 . . . . . . . . . . . . A . 5 P5P N7 . . . . . . . . . rr_1mv2 1
. 1 . 154 . 1 1 5 P5P N9 N -2.890 6.130 2.769 . . . 1.0 . . . . . . . . . . . . A . 5 P5P N9 . . . . . . . . . rr_1mv2 1
. 1 . 155 . 1 1 5 P5P O2' O -4.970 8.288 4.804 . . . 1.0 . . . . . . . . . . . . A . 5 P5P O2' . . . . . . . . . rr_1mv2 1
. 1 . 156 . 1 1 5 P5P O3' O -3.199 7.811 6.868 . . . 1.0 . . . . . . . . . . . . A . 5 P5P O3' . . . . . . . . . rr_1mv2 1
. 1 . 157 . 1 1 5 P5P O4' O -2.257 8.363 3.421 . . . 1.0 . . . . . . . . . . . . A . 5 P5P O4' . . . . . . . . . rr_1mv2 1
. 1 . 158 . 1 1 5 P5P O5' O 0.153 7.722 4.866 . . . 1.0 . . . . . . . . . . . . A . 5 P5P O5' . . . . . . . . . rr_1mv2 1
. 1 . 159 . 1 1 5 P5P OP1 O 2.054 8.537 6.290 . . . 1.0 . . . . . . . . . . . . A . 5 P5P OP1 . . . . . . . . . rr_1mv2 1
. 1 . 160 . 1 1 5 P5P OP2 O 2.200 6.296 5.059 . . . 1.0 . . . . . . . . . . . . A . 5 P5P OP2 . . . . . . . . . rr_1mv2 1
. 1 . 161 . 1 1 5 P5P P P 1.750 7.703 5.108 . . . 1.0 . . . . . . . . . . . . A . 5 P5P P . . . . . . . . . rr_1mv2 1
. 1 . 162 . 1 1 6 G C1' C -6.297 3.102 5.143 . . . 1.0 . . . . . . . . . . . . A . 6 G C1' . . . . . . . . . rr_1mv2 1
. 1 . 163 . 1 1 6 G C2 C -5.001 -0.859 3.736 . . . 1.0 . . . . . . . . . . . . A . 6 G C2 . . . . . . . . . rr_1mv2 1
. 1 . 164 . 1 1 6 G C2' C -6.975 2.524 6.385 . . . 1.0 . . . . . . . . . . . . A . 6 G C2' . . . . . . . . . rr_1mv2 1
. 1 . 165 . 1 1 6 G C3' C -6.579 3.535 7.457 . . . 1.0 . . . . . . . . . . . . A . 6 G C3' . . . . . . . . . rr_1mv2 1
. 1 . 166 . 1 1 6 G C4 C -4.672 1.255 4.468 . . . 1.0 . . . . . . . . . . . . A . 6 G C4 . . . . . . . . . rr_1mv2 1
. 1 . 167 . 1 1 6 G C4' C -6.651 4.831 6.654 . . . 1.0 . . . . . . . . . . . . A . 6 G C4' . . . . . . . . . rr_1mv2 1
. 1 . 168 . 1 1 6 G C5 C -3.302 1.179 4.334 . . . 1.0 . . . . . . . . . . . . A . 6 G C5 . . . . . . . . . rr_1mv2 1
. 1 . 169 . 1 1 6 G C5' C -5.848 5.969 7.294 . . . 1.0 . . . . . . . . . . . . A . 6 G C5' . . . . . . . . . rr_1mv2 1
. 1 . 170 . 1 1 6 G C6 C -2.713 -0.012 3.792 . . . 1.0 . . . . . . . . . . . . A . 6 G C6 . . . . . . . . . rr_1mv2 1
. 1 . 171 . 1 1 6 G C8 C -3.719 3.104 5.134 . . . 1.0 . . . . . . . . . . . . A . 6 G C8 . . . . . . . . . rr_1mv2 1
. 1 . 172 . 1 1 6 G H1 H -3.291 -1.893 3.212 . . . 1.0 . . . . . . . . . . . . A . 6 G H1 . . . . . . . . . rr_1mv2 1
. 1 . 173 . 1 1 6 G H1' H -6.902 2.879 4.263 . . . 1.0 . . . . . . . . . . . . A . 6 G H1' . . . . . . . . . rr_1mv2 1
. 1 . 174 . 1 1 6 G H2' H -6.618 1.523 6.618 . . . 1.0 . . . . . . . . . . . . A . 6 G H2' . . . . . . . . . rr_1mv2 1
. 1 . 175 . 1 1 6 G H21 H -5.334 -2.791 3.172 . . . 1.0 . . . . . . . . . . . . A . 6 G H21 . . . . . . . . . rr_1mv2 1
. 1 . 176 . 1 1 6 G H22 H -6.754 -1.828 3.571 . . . 1.0 . . . . . . . . . . . . A . 6 G H22 . . . . . . . . . rr_1mv2 1
. 1 . 177 . 1 1 6 G H3' H -5.549 3.354 7.771 . . . 1.0 . . . . . . . . . . . . A . 6 G H3' . . . . . . . . . rr_1mv2 1
. 1 . 178 . 1 1 6 G H4' H -7.697 5.135 6.595 . . . 1.0 . . . . . . . . . . . . A . 6 G H4' . . . . . . . . . rr_1mv2 1
. 1 . 179 . 1 1 6 G H5' H -5.997 6.876 6.712 . . . 1.0 . . . . . . . . . . . . A . 6 G H5' . . . . . . . . . rr_1mv2 1
. 1 . 180 . 1 1 6 G H5'' H -6.224 6.138 8.305 . . . 1.0 . . . . . . . . . . . . A . 6 G H5'' . . . . . . . . . rr_1mv2 1
. 1 . 181 . 1 1 6 G H8 H -3.595 4.105 5.520 . . . 1.0 . . . . . . . . . . . . A . 6 G H8 . . . . . . . . . rr_1mv2 1
. 1 . 182 . 1 1 6 G HO2' H -8.800 2.561 7.036 . . . 1.0 . . . . . . . . . . . . A . 6 G HO2' . . . . . . . . . rr_1mv2 1
. 1 . 183 . 1 1 6 G N1 N -3.647 -1.012 3.554 . . . 1.0 . . . . . . . . . . . . A . 6 G N1 . . . . . . . . . rr_1mv2 1
. 1 . 184 . 1 1 6 G N2 N -5.757 -1.917 3.472 . . . 1.0 . . . . . . . . . . . . A . 6 G N2 . . . . . . . . . rr_1mv2 1
. 1 . 185 . 1 1 6 G N3 N -5.575 0.272 4.174 . . . 1.0 . . . . . . . . . . . . A . 6 G N3 . . . . . . . . . rr_1mv2 1
. 1 . 186 . 1 1 6 G N7 N -2.710 2.356 4.785 . . . 1.0 . . . . . . . . . . . . A . 6 G N7 . . . . . . . . . rr_1mv2 1
. 1 . 187 . 1 1 6 G N9 N -4.946 2.520 4.942 . . . 1.0 . . . . . . . . . . . . A . 6 G N9 . . . . . . . . . rr_1mv2 1
. 1 . 188 . 1 1 6 G O2' O -8.376 2.510 6.174 . . . 1.0 . . . . . . . . . . . . A . 6 G O2' . . . . . . . . . rr_1mv2 1
. 1 . 189 . 1 1 6 G O3' O -7.472 3.550 8.561 . . . 1.0 . . . . . . . . . . . . A . 6 G O3' . . . . . . . . . rr_1mv2 1
. 1 . 190 . 1 1 6 G O4' O -6.214 4.512 5.338 . . . 1.0 . . . . . . . . . . . . A . 6 G O4' . . . . . . . . . rr_1mv2 1
. 1 . 191 . 1 1 6 G O5' O -4.469 5.650 7.350 . . . 1.0 . . . . . . . . . . . . A . 6 G O5' . . . . . . . . . rr_1mv2 1
. 1 . 192 . 1 1 6 G O6 O -1.534 -0.239 3.531 . . . 1.0 . . . . . . . . . . . . A . 6 G O6 . . . . . . . . . rr_1mv2 1
. 1 . 193 . 1 1 6 G OP1 O -3.961 7.277 9.196 . . . 1.0 . . . . . . . . . . . . A . 6 G OP1 . . . . . . . . . rr_1mv2 1
. 1 . 194 . 1 1 6 G OP2 O -2.096 5.920 8.091 . . . 1.0 . . . . . . . . . . . . A . 6 G OP2 . . . . . . . . . rr_1mv2 1
. 1 . 195 . 1 1 6 G P P -3.374 6.656 7.988 . . . 1.0 . . . . . . . . . . . . A . 6 G P . . . . . . . . . rr_1mv2 1
. 1 . 196 . 1 1 7 C C1' C -6.678 -1.920 7.256 . . . 1.0 . . . . . . . . . . . . A . 7 C C1' . . . . . . . . . rr_1mv2 1
. 1 . 197 . 1 1 7 C C2 C -4.339 -2.489 6.652 . . . 1.0 . . . . . . . . . . . . A . 7 C C2 . . . . . . . . . rr_1mv2 1
. 1 . 198 . 1 1 7 C C2' C -6.983 -2.787 8.479 . . . 1.0 . . . . . . . . . . . . A . 7 C C2' . . . . . . . . . rr_1mv2 1
. 1 . 199 . 1 1 7 C C3' C -7.452 -1.743 9.489 . . . 1.0 . . . . . . . . . . . . A . 7 C C3' . . . . . . . . . rr_1mv2 1
. 1 . 200 . 1 1 7 C C4 C -2.576 -0.977 6.936 . . . 1.0 . . . . . . . . . . . . A . 7 C C4 . . . . . . . . . rr_1mv2 1
. 1 . 201 . 1 1 7 C C4' C -8.252 -0.826 8.566 . . . 1.0 . . . . . . . . . . . . A . 7 C C4' . . . . . . . . . rr_1mv2 1
. 1 . 202 . 1 1 7 C C5 C -3.446 -0.013 7.541 . . . 1.0 . . . . . . . . . . . . A . 7 C C5 . . . . . . . . . rr_1mv2 1
. 1 . 203 . 1 1 7 C C5' C -8.487 0.570 9.149 . . . 1.0 . . . . . . . . . . . . A . 7 C C5' . . . . . . . . . rr_1mv2 1
. 1 . 204 . 1 1 7 C C6 C -4.755 -0.346 7.657 . . . 1.0 . . . . . . . . . . . . A . 7 C C6 . . . . . . . . . rr_1mv2 1
. 1 . 205 . 1 1 7 C H1' H -6.930 -2.486 6.357 . . . 1.0 . . . . . . . . . . . . A . 7 C H1' . . . . . . . . . rr_1mv2 1
. 1 . 206 . 1 1 7 C H2' H -6.105 -3.324 8.829 . . . 1.0 . . . . . . . . . . . . A . 7 C H2' . . . . . . . . . rr_1mv2 1
. 1 . 207 . 1 1 7 C H3' H -6.590 -1.202 9.881 . . . 1.0 . . . . . . . . . . . . A . 7 C H3' . . . . . . . . . rr_1mv2 1
. 1 . 208 . 1 1 7 C H4' H -9.220 -1.292 8.372 . . . 1.0 . . . . . . . . . . . . A . 7 C H4' . . . . . . . . . rr_1mv2 1
. 1 . 209 . 1 1 7 C H41 H -0.712 -1.409 6.307 . . . 1.0 . . . . . . . . . . . . A . 7 C H41 . . . . . . . . . rr_1mv2 1
. 1 . 210 . 1 1 7 C H42 H -0.926 0.208 6.969 . . . 1.0 . . . . . . . . . . . . A . 7 C H42 . . . . . . . . . rr_1mv2 1
. 1 . 211 . 1 1 7 C H5 H -3.103 0.950 7.887 . . . 1.0 . . . . . . . . . . . . A . 7 C H5 . . . . . . . . . rr_1mv2 1
. 1 . 212 . 1 1 7 C H5' H -9.051 1.163 8.429 . . . 1.0 . . . . . . . . . . . . A . 7 C H5' . . . . . . . . . rr_1mv2 1
. 1 . 213 . 1 1 7 C H5'' H -9.070 0.481 10.066 . . . 1.0 . . . . . . . . . . . . A . 7 C H5'' . . . . . . . . . rr_1mv2 1
. 1 . 214 . 1 1 7 C H6 H -5.432 0.363 8.103 . . . 1.0 . . . . . . . . . . . . A . 7 C H6 . . . . . . . . . rr_1mv2 1
. 1 . 215 . 1 1 7 C HO2' H -8.419 -3.995 8.965 . . . 1.0 . . . . . . . . . . . . A . 7 C HO2' . . . . . . . . . rr_1mv2 1
. 1 . 216 . 1 1 7 C N1 N -5.229 -1.556 7.198 . . . 1.0 . . . . . . . . . . . . A . 7 C N1 . . . . . . . . . rr_1mv2 1
. 1 . 217 . 1 1 7 C N3 N -3.023 -2.166 6.531 . . . 1.0 . . . . . . . . . . . . A . 7 C N3 . . . . . . . . . rr_1mv2 1
. 1 . 218 . 1 1 7 C N4 N -1.293 -0.701 6.746 . . . 1.0 . . . . . . . . . . . . A . 7 C N4 . . . . . . . . . rr_1mv2 1
. 1 . 219 . 1 1 7 C O2 O -4.724 -3.596 6.281 . . . 1.0 . . . . . . . . . . . . A . 7 C O2 . . . . . . . . . rr_1mv2 1
. 1 . 220 . 1 1 7 C O2' O -8.014 -3.698 8.146 . . . 1.0 . . . . . . . . . . . . A . 7 C O2' . . . . . . . . . rr_1mv2 1
. 1 . 221 . 1 1 7 C O3' O -8.236 -2.293 10.537 . . . 1.0 . . . . . . . . . . . . A . 7 C O3' . . . . . . . . . rr_1mv2 1
. 1 . 222 . 1 1 7 C O4' O -7.529 -0.780 7.341 . . . 1.0 . . . . . . . . . . . . A . 7 C O4' . . . . . . . . . rr_1mv2 1
. 1 . 223 . 1 1 7 C O5' O -7.253 1.201 9.434 . . . 1.0 . . . . . . . . . . . . A . 7 C O5' . . . . . . . . . rr_1mv2 1
. 1 . 224 . 1 1 7 C OP1 O -8.268 2.989 10.872 . . . 1.0 . . . . . . . . . . . . A . 7 C OP1 . . . . . . . . . rr_1mv2 1
. 1 . 225 . 1 1 7 C OP2 O -5.767 3.008 10.322 . . . 1.0 . . . . . . . . . . . . A . 7 C OP2 . . . . . . . . . rr_1mv2 1
. 1 . 226 . 1 1 7 C P P -7.165 2.734 9.921 . . . 1.0 . . . . . . . . . . . . A . 7 C P . . . . . . . . . rr_1mv2 1
. 1 . 227 . 1 1 8 C C1' C -4.344 -6.342 9.462 . . . 1.0 . . . . . . . . . . . . A . 8 C C1' . . . . . . . . . rr_1mv2 1
. 1 . 228 . 1 1 8 C C2 C -2.032 -5.566 9.041 . . . 1.0 . . . . . . . . . . . . A . 8 C C2 . . . . . . . . . rr_1mv2 1
. 1 . 229 . 1 1 8 C C2' C -4.173 -7.229 10.694 . . . 1.0 . . . . . . . . . . . . A . 8 C C2' . . . . . . . . . rr_1mv2 1
. 1 . 230 . 1 1 8 C C3' C -5.216 -6.658 11.648 . . . 1.0 . . . . . . . . . . . . A . 8 C C3' . . . . . . . . . rr_1mv2 1
. 1 . 231 . 1 1 8 C C4 C -1.392 -3.338 9.339 . . . 1.0 . . . . . . . . . . . . A . 8 C C4 . . . . . . . . . rr_1mv2 1
. 1 . 232 . 1 1 8 C C4' C -6.334 -6.338 10.656 . . . 1.0 . . . . . . . . . . . . A . 8 C C4' . . . . . . . . . rr_1mv2 1
. 1 . 233 . 1 1 8 C C5 C -2.686 -2.989 9.847 . . . 1.0 . . . . . . . . . . . . A . 8 C C5 . . . . . . . . . rr_1mv2 1
. 1 . 234 . 1 1 8 C C5' C -7.356 -5.329 11.190 . . . 1.0 . . . . . . . . . . . . A . 8 C C5' . . . . . . . . . rr_1mv2 1
. 1 . 235 . 1 1 8 C C6 C -3.617 -3.974 9.898 . . . 1.0 . . . . . . . . . . . . A . 8 C C6 . . . . . . . . . rr_1mv2 1
. 1 . 236 . 1 1 8 C H1' H -4.197 -6.953 8.569 . . . 1.0 . . . . . . . . . . . . A . 8 C H1' . . . . . . . . . rr_1mv2 1
. 1 . 237 . 1 1 8 C H2' H -3.172 -7.160 11.114 . . . 1.0 . . . . . . . . . . . . A . 8 C H2' . . . . . . . . . rr_1mv2 1
. 1 . 238 . 1 1 8 C H3' H -4.845 -5.734 12.093 . . . 1.0 . . . . . . . . . . . . A . 8 C H3' . . . . . . . . . rr_1mv2 1
. 1 . 239 . 1 1 8 C H4' H -6.853 -7.266 10.411 . . . 1.0 . . . . . . . . . . . . A . 8 C H4' . . . . . . . . . rr_1mv2 1
. 1 . 240 . 1 1 8 C H41 H 0.479 -2.744 8.916 . . . 1.0 . . . . . . . . . . . . A . 8 C H41 . . . . . . . . . rr_1mv2 1
. 1 . 241 . 1 1 8 C H42 H -0.581 -1.488 9.556 . . . 1.0 . . . . . . . . . . . . A . 8 C H42 . . . . . . . . . rr_1mv2 1
. 1 . 242 . 1 1 8 C H5 H -2.934 -1.994 10.186 . . . 1.0 . . . . . . . . . . . . A . 8 C H5 . . . . . . . . . rr_1mv2 1
. 1 . 243 . 1 1 8 C H5' H -8.134 -5.187 10.441 . . . 1.0 . . . . . . . . . . . . A . 8 C H5' . . . . . . . . . rr_1mv2 1
. 1 . 244 . 1 1 8 C H5'' H -7.810 -5.728 12.098 . . . 1.0 . . . . . . . . . . . . A . 8 C H5'' . . . . . . . . . rr_1mv2 1
. 1 . 245 . 1 1 8 C H6 H -4.596 -3.747 10.287 . . . 1.0 . . . . . . . . . . . . A . 8 C H6 . . . . . . . . . rr_1mv2 1
. 1 . 246 . 1 1 8 C HO2' H -4.809 -9.009 11.119 . . . 1.0 . . . . . . . . . . . . A . 8 C HO2' . . . . . . . . . rr_1mv2 1
. 1 . 247 . 1 1 8 C N1 N -3.329 -5.248 9.461 . . . 1.0 . . . . . . . . . . . . A . 8 C N1 . . . . . . . . . rr_1mv2 1
. 1 . 248 . 1 1 8 C N3 N -1.094 -4.585 8.979 . . . 1.0 . . . . . . . . . . . . A . 8 C N3 . . . . . . . . . rr_1mv2 1
. 1 . 249 . 1 1 8 C N4 N -0.425 -2.438 9.263 . . . 1.0 . . . . . . . . . . . . A . 8 C N4 . . . . . . . . . rr_1mv2 1
. 1 . 250 . 1 1 8 C O2 O -1.715 -6.716 8.745 . . . 1.0 . . . . . . . . . . . . A . 8 C O2 . . . . . . . . . rr_1mv2 1
. 1 . 251 . 1 1 8 C O2' O -4.471 -8.566 10.335 . . . 1.0 . . . . . . . . . . . . A . 8 C O2' . . . . . . . . . rr_1mv2 1
. 1 . 252 . 1 1 8 C O3' O -5.587 -7.603 12.640 . . . 1.0 . . . . . . . . . . . . A . 8 C O3' . . . . . . . . . rr_1mv2 1
. 1 . 253 . 1 1 8 C O4' O -5.687 -5.863 9.481 . . . 1.0 . . . . . . . . . . . . A . 8 C O4' . . . . . . . . . rr_1mv2 1
. 1 . 254 . 1 1 8 C O5' O -6.731 -4.091 11.475 . . . 1.0 . . . . . . . . . . . . A . 8 C O5' . . . . . . . . . rr_1mv2 1
. 1 . 255 . 1 1 8 C OP1 O -8.665 -3.229 12.824 . . . 1.0 . . . . . . . . . . . . A . 8 C OP1 . . . . . . . . . rr_1mv2 1
. 1 . 256 . 1 1 8 C OP2 O -6.615 -1.762 12.381 . . . 1.0 . . . . . . . . . . . . A . 8 C OP2 . . . . . . . . . rr_1mv2 1
. 1 . 257 . 1 1 8 C P P -7.574 -2.792 11.925 . . . 1.0 . . . . . . . . . . . . A . 8 C P . . . . . . . . . rr_1mv2 1
. 1 . 258 . 1 1 9 U C1' C 0.205 -7.628 12.092 . . . 1.0 . . . . . . . . . . . . A . 9 U C1' . . . . . . . . . rr_1mv2 1
. 1 . 259 . 1 1 9 U C2 C 1.273 -5.413 11.847 . . . 1.0 . . . . . . . . . . . . A . 9 U C2 . . . . . . . . . rr_1mv2 1
. 1 . 260 . 1 1 9 U C2' C 0.803 -8.170 13.397 . . . 1.0 . . . . . . . . . . . . A . 9 U C2' . . . . . . . . . rr_1mv2 1
. 1 . 261 . 1 1 9 U C3' C -0.445 -8.615 14.155 . . . 1.0 . . . . . . . . . . . . A . 9 U C3' . . . . . . . . . rr_1mv2 1
. 1 . 262 . 1 1 9 U C4 C 0.073 -3.318 12.349 . . . 1.0 . . . . . . . . . . . . A . 9 U C4 . . . . . . . . . rr_1mv2 1
. 1 . 263 . 1 1 9 U C4' C -1.316 -9.122 13.006 . . . 1.0 . . . . . . . . . . . . A . 9 U C4' . . . . . . . . . rr_1mv2 1
. 1 . 264 . 1 1 9 U C5 C -1.077 -4.142 12.670 . . . 1.0 . . . . . . . . . . . . A . 9 U C5 . . . . . . . . . rr_1mv2 1
. 1 . 265 . 1 1 9 U C5' C -2.809 -9.194 13.355 . . . 1.0 . . . . . . . . . . . . A . 9 U C5' . . . . . . . . . rr_1mv2 1
. 1 . 266 . 1 1 9 U C6 C -1.031 -5.494 12.559 . . . 1.0 . . . . . . . . . . . . A . 9 U C6 . . . . . . . . . rr_1mv2 1
. 1 . 267 . 1 1 9 U H1' H 0.849 -7.908 11.257 . . . 1.0 . . . . . . . . . . . . A . 9 U H1' . . . . . . . . . rr_1mv2 1
. 1 . 268 . 1 1 9 U H2' H 1.346 -7.404 13.954 . . . 1.0 . . . . . . . . . . . . A . 9 U H2' . . . . . . . . . rr_1mv2 1
. 1 . 269 . 1 1 9 U H3 H 2.000 -3.498 11.675 . . . 1.0 . . . . . . . . . . . . A . 9 U H3 . . . . . . . . . rr_1mv2 1
. 1 . 270 . 1 1 9 U H3' H -0.912 -7.755 14.635 . . . 1.0 . . . . . . . . . . . . A . 9 U H3' . . . . . . . . . rr_1mv2 1
. 1 . 271 . 1 1 9 U H4' H -0.972 -10.118 12.724 . . . 1.0 . . . . . . . . . . . . A . 9 U H4' . . . . . . . . . rr_1mv2 1
. 1 . 272 . 1 1 9 U H5 H -1.984 -3.658 12.998 . . . 1.0 . . . . . . . . . . . . A . 9 U H5 . . . . . . . . . rr_1mv2 1
. 1 . 273 . 1 1 9 U H5' H -3.356 -9.578 12.496 . . . 1.0 . . . . . . . . . . . . A . 9 U H5' . . . . . . . . . rr_1mv2 1
. 1 . 274 . 1 1 9 U H5'' H -2.943 -9.880 14.193 . . . 1.0 . . . . . . . . . . . . A . 9 U H5'' . . . . . . . . . rr_1mv2 1
. 1 . 275 . 1 1 9 U H6 H -1.911 -6.066 12.811 . . . 1.0 . . . . . . . . . . . . A . 9 U H6 . . . . . . . . . rr_1mv2 1
. 1 . 276 . 1 1 9 U HO2' H 2.444 -8.930 12.649 . . . 1.0 . . . . . . . . . . . . A . 9 U HO2' . . . . . . . . . rr_1mv2 1
. 1 . 277 . 1 1 9 U HO3' H 0.618 -10.098 14.752 . . . 1.0 . . . . . . . . . . . . A . 9 U HO3' . . . . . . . . . rr_1mv2 1
. 1 . 278 . 1 1 9 U N1 N 0.113 -6.140 12.141 . . . 1.0 . . . . . . . . . . . . A . 9 U N1 . . . . . . . . . rr_1mv2 1
. 1 . 279 . 1 1 9 U N3 N 1.185 -4.031 11.933 . . . 1.0 . . . . . . . . . . . . A . 9 U N3 . . . . . . . . . rr_1mv2 1
. 1 . 280 . 1 1 9 U O2 O 2.339 -5.947 11.546 . . . 1.0 . . . . . . . . . . . . A . 9 U O2 . . . . . . . . . rr_1mv2 1
. 1 . 281 . 1 1 9 U O2' O 1.662 -9.262 13.102 . . . 1.0 . . . . . . . . . . . . A . 9 U O2' . . . . . . . . . rr_1mv2 1
. 1 . 282 . 1 1 9 U O3' O -0.134 -9.611 15.107 . . . 1.0 . . . . . . . . . . . . A . 9 U O3' . . . . . . . . . rr_1mv2 1
. 1 . 283 . 1 1 9 U O4 O 0.115 -2.094 12.422 . . . 1.0 . . . . . . . . . . . . A . 9 U O4 . . . . . . . . . rr_1mv2 1
. 1 . 284 . 1 1 9 U O4' O -1.068 -8.243 11.918 . . . 1.0 . . . . . . . . . . . . A . 9 U O4' . . . . . . . . . rr_1mv2 1
. 1 . 285 . 1 1 9 U O5' O -3.300 -7.912 13.710 . . . 1.0 . . . . . . . . . . . . A . 9 U O5' . . . . . . . . . rr_1mv2 1
. 1 . 286 . 1 1 9 U OP1 O -5.366 -8.817 14.823 . . . 1.0 . . . . . . . . . . . . A . 9 U OP1 . . . . . . . . . rr_1mv2 1
. 1 . 287 . 1 1 9 U OP2 O -4.946 -6.296 14.678 . . . 1.0 . . . . . . . . . . . . A . 9 U OP2 . . . . . . . . . rr_1mv2 1
. 1 . 288 . 1 1 9 U P P -4.851 -7.645 14.080 . . . 1.0 . . . . . . . . . . . . A . 9 U P . . . . . . . . . rr_1mv2 1
. 1 . 289 . 2 1 1 G C1' C 6.043 -8.184 7.790 . . . 1.0 . . . . . . . . . . . . B . 1 G C1' . . . . . . . . . rr_1mv2 1
. 1 . 290 . 2 1 1 G C2 C 1.826 -7.194 8.475 . . . 1.0 . . . . . . . . . . . . B . 1 G C2 . . . . . . . . . rr_1mv2 1
. 1 . 291 . 2 1 1 G C2' C 5.617 -8.835 6.472 . . . 1.0 . . . . . . . . . . . . B . 1 G C2' . . . . . . . . . rr_1mv2 1
. 1 . 292 . 2 1 1 G C3' C 6.619 -8.219 5.501 . . . 1.0 . . . . . . . . . . . . B . 1 G C3' . . . . . . . . . rr_1mv2 1
. 1 . 293 . 2 1 1 G C4 C 4.012 -6.701 8.205 . . . 1.0 . . . . . . . . . . . . B . 1 G C4 . . . . . . . . . rr_1mv2 1
. 1 . 294 . 2 1 1 G C4' C 7.880 -8.218 6.367 . . . 1.0 . . . . . . . . . . . . B . 1 G C4' . . . . . . . . . rr_1mv2 1
. 1 . 295 . 2 1 1 G C5 C 3.810 -5.341 8.292 . . . 1.0 . . . . . . . . . . . . B . 1 G C5 . . . . . . . . . rr_1mv2 1
. 1 . 296 . 2 1 1 G C5' C 8.954 -7.214 5.922 . . . 1.0 . . . . . . . . . . . . B . 1 G C5' . . . . . . . . . rr_1mv2 1
. 1 . 297 . 2 1 1 G C6 C 2.481 -4.842 8.493 . . . 1.0 . . . . . . . . . . . . B . 1 G C6 . . . . . . . . . rr_1mv2 1
. 1 . 298 . 2 1 1 G C8 C 5.895 -5.617 7.994 . . . 1.0 . . . . . . . . . . . . B . 1 G C8 . . . . . . . . . rr_1mv2 1
. 1 . 299 . 2 1 1 G H1 H 0.569 -5.561 8.662 . . . 1.0 . . . . . . . . . . . . B . 1 G H1 . . . . . . . . . rr_1mv2 1
. 1 . 300 . 2 1 1 G H1' H 5.796 -8.844 8.622 . . . 1.0 . . . . . . . . . . . . B . 1 G H1' . . . . . . . . . rr_1mv2 1
. 1 . 301 . 2 1 1 G H2' H 4.591 -8.591 6.199 . . . 1.0 . . . . . . . . . . . . B . 1 G H2' . . . . . . . . . rr_1mv2 1
. 1 . 302 . 2 1 1 G H21 H -0.142 -7.689 8.657 . . . 1.0 . . . . . . . . . . . . B . 1 G H21 . . . . . . . . . rr_1mv2 1
. 1 . 303 . 2 1 1 G H22 H 1.004 -9.027 8.532 . . . 1.0 . . . . . . . . . . . . B . 1 G H22 . . . . . . . . . rr_1mv2 1
. 1 . 304 . 2 1 1 G H3' H 6.320 -7.192 5.284 . . . 1.0 . . . . . . . . . . . . B . 1 G H3' . . . . . . . . . rr_1mv2 1
. 1 . 305 . 2 1 1 G H4' H 8.314 -9.218 6.330 . . . 1.0 . . . . . . . . . . . . B . 1 G H4' . . . . . . . . . rr_1mv2 1
. 1 . 306 . 2 1 1 G H5' H 9.761 -7.217 6.655 . . . 1.0 . . . . . . . . . . . . B . 1 G H5' . . . . . . . . . rr_1mv2 1
. 1 . 307 . 2 1 1 G H5'' H 9.360 -7.533 4.961 . . . 1.0 . . . . . . . . . . . . B . 1 G H5'' . . . . . . . . . rr_1mv2 1
. 1 . 308 . 2 1 1 G H8 H 6.950 -5.423 7.864 . . . 1.0 . . . . . . . . . . . . B . 1 G H8 . . . . . . . . . rr_1mv2 1
. 1 . 309 . 2 1 1 G HO2' H 5.913 -10.586 5.694 . . . 1.0 . . . . . . . . . . . . B . 1 G HO2' . . . . . . . . . rr_1mv2 1
. 1 . 310 . 2 1 1 G HO5' H 7.913 -5.837 5.000 . . . 1.0 . . . . . . . . . . . . B . 1 G HO5' . . . . . . . . . rr_1mv2 1
. 1 . 311 . 2 1 1 G N1 N 1.529 -5.854 8.545 . . . 1.0 . . . . . . . . . . . . B . 1 G N1 . . . . . . . . . rr_1mv2 1
. 1 . 312 . 2 1 1 G N2 N 0.809 -8.041 8.575 . . . 1.0 . . . . . . . . . . . . B . 1 G N2 . . . . . . . . . rr_1mv2 1
. 1 . 313 . 2 1 1 G N3 N 3.063 -7.679 8.300 . . . 1.0 . . . . . . . . . . . . B . 1 G N3 . . . . . . . . . rr_1mv2 1
. 1 . 314 . 2 1 1 G N7 N 5.022 -4.665 8.167 . . . 1.0 . . . . . . . . . . . . B . 1 G N7 . . . . . . . . . rr_1mv2 1
. 1 . 315 . 2 1 1 G N9 N 5.359 -6.882 7.989 . . . 1.0 . . . . . . . . . . . . B . 1 G N9 . . . . . . . . . rr_1mv2 1
. 1 . 316 . 2 1 1 G O2' O 5.781 -10.238 6.580 . . . 1.0 . . . . . . . . . . . . B . 1 G O2' . . . . . . . . . rr_1mv2 1
. 1 . 317 . 2 1 1 G O3' O 6.771 -8.975 4.310 . . . 1.0 . . . . . . . . . . . . B . 1 G O3' . . . . . . . . . rr_1mv2 1
. 1 . 318 . 2 1 1 G O4' O 7.452 -7.990 7.705 . . . 1.0 . . . . . . . . . . . . B . 1 G O4' . . . . . . . . . rr_1mv2 1
. 1 . 319 . 2 1 1 G O5' O 8.455 -5.895 5.791 . . . 1.0 . . . . . . . . . . . . B . 1 G O5' . . . . . . . . . rr_1mv2 1
. 1 . 320 . 2 1 1 G O6 O 2.107 -3.678 8.626 . . . 1.0 . . . . . . . . . . . . B . 1 G O6 . . . . . . . . . rr_1mv2 1
. 1 . 321 . 2 1 2 G C1' C 1.084 -8.906 5.198 . . . 1.0 . . . . . . . . . . . . B . 2 G C1' . . . . . . . . . rr_1mv2 1
. 1 . 322 . 2 1 2 G C2 C -1.860 -5.753 5.659 . . . 1.0 . . . . . . . . . . . . B . 2 G C2 . . . . . . . . . rr_1mv2 1
. 1 . 323 . 2 1 2 G C2' C 0.352 -9.382 3.943 . . . 1.0 . . . . . . . . . . . . B . 2 G C2' . . . . . . . . . rr_1mv2 1
. 1 . 324 . 2 1 2 G C3' C 1.531 -9.715 3.031 . . . 1.0 . . . . . . . . . . . . B . 2 G C3' . . . . . . . . . rr_1mv2 1
. 1 . 325 . 2 1 2 G C4 C 0.231 -6.532 5.345 . . . 1.0 . . . . . . . . . . . . B . 2 G C4 . . . . . . . . . rr_1mv2 1
. 1 . 326 . 2 1 2 G C4' C 2.500 -10.323 4.041 . . . 1.0 . . . . . . . . . . . . B . 2 G C4' . . . . . . . . . rr_1mv2 1
. 1 . 327 . 2 1 2 G C5 C 0.807 -5.281 5.356 . . . 1.0 . . . . . . . . . . . . B . 2 G C5 . . . . . . . . . rr_1mv2 1
. 1 . 328 . 2 1 2 G C5' C 3.954 -10.304 3.560 . . . 1.0 . . . . . . . . . . . . B . 2 G C5' . . . . . . . . . rr_1mv2 1
. 1 . 329 . 2 1 2 G C6 C -0.030 -4.134 5.575 . . . 1.0 . . . . . . . . . . . . B . 2 G C6 . . . . . . . . . rr_1mv2 1
. 1 . 330 . 2 1 2 G C8 C 2.386 -6.674 5.034 . . . 1.0 . . . . . . . . . . . . B . 2 G C8 . . . . . . . . . rr_1mv2 1
. 1 . 331 . 2 1 2 G H1 H -2.016 -3.702 5.858 . . . 1.0 . . . . . . . . . . . . B . 2 G H1 . . . . . . . . . rr_1mv2 1
. 1 . 332 . 2 1 2 G H1' H 0.496 -9.161 6.080 . . . 1.0 . . . . . . . . . . . . B . 2 G H1' . . . . . . . . . rr_1mv2 1
. 1 . 333 . 2 1 2 G H2' H -0.277 -8.605 3.508 . . . 1.0 . . . . . . . . . . . . B . 2 G H2' . . . . . . . . . rr_1mv2 1
. 1 . 334 . 2 1 2 G H21 H -3.782 -5.110 5.895 . . . 1.0 . . . . . . . . . . . . B . 2 G H21 . . . . . . . . . rr_1mv2 1
. 1 . 335 . 2 1 2 G H22 H -3.537 -6.850 5.743 . . . 1.0 . . . . . . . . . . . . B . 2 G H22 . . . . . . . . . rr_1mv2 1
. 1 . 336 . 2 1 2 G H3' H 1.956 -8.790 2.637 . . . 1.0 . . . . . . . . . . . . B . 2 G H3' . . . . . . . . . rr_1mv2 1
. 1 . 337 . 2 1 2 G H4' H 2.199 -11.355 4.223 . . . 1.0 . . . . . . . . . . . . B . 2 G H4' . . . . . . . . . rr_1mv2 1
. 1 . 338 . 2 1 2 G H5' H 4.572 -10.825 4.289 . . . 1.0 . . . . . . . . . . . . B . 2 G H5' . . . . . . . . . rr_1mv2 1
. 1 . 339 . 2 1 2 G H5'' H 4.020 -10.826 2.604 . . . 1.0 . . . . . . . . . . . . B . 2 G H5'' . . . . . . . . . rr_1mv2 1
. 1 . 340 . 2 1 2 G H8 H 3.364 -7.100 4.869 . . . 1.0 . . . . . . . . . . . . B . 2 G H8 . . . . . . . . . rr_1mv2 1
. 1 . 341 . 2 1 2 G HO2' H -1.230 -10.207 4.731 . . . 1.0 . . . . . . . . . . . . B . 2 G HO2' . . . . . . . . . rr_1mv2 1
. 1 . 342 . 2 1 2 G N1 N -1.374 -4.467 5.703 . . . 1.0 . . . . . . . . . . . . B . 2 G N1 . . . . . . . . . rr_1mv2 1
. 1 . 343 . 2 1 2 G N2 N -3.171 -5.914 5.778 . . . 1.0 . . . . . . . . . . . . B . 2 G N2 . . . . . . . . . rr_1mv2 1
. 1 . 344 . 2 1 2 G N3 N -1.090 -6.835 5.493 . . . 1.0 . . . . . . . . . . . . B . 2 G N3 . . . . . . . . . rr_1mv2 1
. 1 . 345 . 2 1 2 G N7 N 2.181 -5.390 5.142 . . . 1.0 . . . . . . . . . . . . B . 2 G N7 . . . . . . . . . rr_1mv2 1
. 1 . 346 . 2 1 2 G N9 N 1.252 -7.434 5.172 . . . 1.0 . . . . . . . . . . . . B . 2 G N9 . . . . . . . . . rr_1mv2 1
. 1 . 347 . 2 1 2 G O2' O -0.430 -10.511 4.294 . . . 1.0 . . . . . . . . . . . . B . 2 G O2' . . . . . . . . . rr_1mv2 1
. 1 . 348 . 2 1 2 G O3' O 1.202 -10.608 1.980 . . . 1.0 . . . . . . . . . . . . B . 2 G O3' . . . . . . . . . rr_1mv2 1
. 1 . 349 . 2 1 2 G O4' O 2.334 -9.584 5.244 . . . 1.0 . . . . . . . . . . . . B . 2 G O4' . . . . . . . . . rr_1mv2 1
. 1 . 350 . 2 1 2 G O5' O 4.409 -8.971 3.409 . . . 1.0 . . . . . . . . . . . . B . 2 G O5' . . . . . . . . . rr_1mv2 1
. 1 . 351 . 2 1 2 G O6 O 0.287 -2.950 5.653 . . . 1.0 . . . . . . . . . . . . B . 2 G O6 . . . . . . . . . rr_1mv2 1
. 1 . 352 . 2 1 2 G OP1 O 6.334 -9.584 1.918 . . . 1.0 . . . . . . . . . . . . B . 2 G OP1 . . . . . . . . . rr_1mv2 1
. 1 . 353 . 2 1 2 G OP2 O 6.021 -7.177 2.732 . . . 1.0 . . . . . . . . . . . . B . 2 G OP2 . . . . . . . . . rr_1mv2 1
. 1 . 354 . 2 1 2 G P P 5.925 -8.634 2.975 . . . 1.0 . . . . . . . . . . . . B . 2 G P . . . . . . . . . rr_1mv2 1
. 1 . 355 . 2 1 3 C C1' C -3.593 -7.019 2.251 . . . 1.0 . . . . . . . . . . . . B . 3 C C1' . . . . . . . . . rr_1mv2 1
. 1 . 356 . 2 1 3 C C2 C -3.167 -4.583 2.555 . . . 1.0 . . . . . . . . . . . . B . 3 C C2 . . . . . . . . . rr_1mv2 1
. 1 . 357 . 2 1 3 C C2' C -4.227 -7.173 0.865 . . . 1.0 . . . . . . . . . . . . B . 3 C C2' . . . . . . . . . rr_1mv2 1
. 1 . 358 . 2 1 3 C C3' C -3.378 -8.282 0.249 . . . 1.0 . . . . . . . . . . . . B . 3 C C3' . . . . . . . . . rr_1mv2 1
. 1 . 359 . 2 1 3 C C4 C -1.015 -3.683 2.379 . . . 1.0 . . . . . . . . . . . . B . 3 C C4 . . . . . . . . . rr_1mv2 1
. 1 . 360 . 2 1 3 C C4' C -3.122 -9.152 1.475 . . . 1.0 . . . . . . . . . . . . B . 3 C C4' . . . . . . . . . rr_1mv2 1
. 1 . 361 . 2 1 3 C C5 C -0.456 -4.964 2.064 . . . 1.0 . . . . . . . . . . . . B . 3 C C5 . . . . . . . . . rr_1mv2 1
. 1 . 362 . 2 1 3 C C5' C -1.931 -10.095 1.266 . . . 1.0 . . . . . . . . . . . . B . 3 C C5' . . . . . . . . . rr_1mv2 1
. 1 . 363 . 2 1 3 C C6 C -1.307 -6.019 2.022 . . . 1.0 . . . . . . . . . . . . B . 3 C C6 . . . . . . . . . rr_1mv2 1
. 1 . 364 . 2 1 3 C H1' H -4.388 -6.842 2.978 . . . 1.0 . . . . . . . . . . . . B . 3 C H1' . . . . . . . . . rr_1mv2 1
. 1 . 365 . 2 1 3 C H2' H -4.151 -6.254 0.292 . . . 1.0 . . . . . . . . . . . . B . 3 C H2' . . . . . . . . . rr_1mv2 1
. 1 . 366 . 2 1 3 C H3' H -2.434 -7.856 -0.092 . . . 1.0 . . . . . . . . . . . . B . 3 C H3' . . . . . . . . . rr_1mv2 1
. 1 . 367 . 2 1 3 C H4' H -4.016 -9.747 1.666 . . . 1.0 . . . . . . . . . . . . B . 3 C H4' . . . . . . . . . rr_1mv2 1
. 1 . 368 . 2 1 3 C H41 H -0.653 -1.748 2.786 . . . 1.0 . . . . . . . . . . . . B . 3 C H41 . . . . . . . . . rr_1mv2 1
. 1 . 369 . 2 1 3 C H42 H 0.766 -2.709 2.383 . . . 1.0 . . . . . . . . . . . . B . 3 C H42 . . . . . . . . . rr_1mv2 1
. 1 . 370 . 2 1 3 C H5 H 0.595 -5.116 1.873 . . . 1.0 . . . . . . . . . . . . B . 3 C H5 . . . . . . . . . rr_1mv2 1
. 1 . 371 . 2 1 3 C H5' H -1.774 -10.689 2.164 . . . 1.0 . . . . . . . . . . . . B . 3 C H5' . . . . . . . . . rr_1mv2 1
. 1 . 372 . 2 1 3 C H5'' H -2.165 -10.768 0.441 . . . 1.0 . . . . . . . . . . . . B . 3 C H5'' . . . . . . . . . rr_1mv2 1
. 1 . 373 . 2 1 3 C H6 H -0.916 -6.998 1.793 . . . 1.0 . . . . . . . . . . . . B . 3 C H6 . . . . . . . . . rr_1mv2 1
. 1 . 374 . 2 1 3 C HO2' H -6.057 -7.288 0.220 . . . 1.0 . . . . . . . . . . . . B . 3 C HO2' . . . . . . . . . rr_1mv2 1
. 1 . 375 . 2 1 3 C N1 N -2.651 -5.860 2.281 . . . 1.0 . . . . . . . . . . . . B . 3 C N1 . . . . . . . . . rr_1mv2 1
. 1 . 376 . 2 1 3 C N3 N -2.318 -3.520 2.609 . . . 1.0 . . . . . . . . . . . . B . 3 C N3 . . . . . . . . . rr_1mv2 1
. 1 . 377 . 2 1 3 C N4 N -0.232 -2.618 2.478 . . . 1.0 . . . . . . . . . . . . B . 3 C N4 . . . . . . . . . rr_1mv2 1
. 1 . 378 . 2 1 3 C O2 O -4.369 -4.401 2.750 . . . 1.0 . . . . . . . . . . . . B . 3 C O2 . . . . . . . . . rr_1mv2 1
. 1 . 379 . 2 1 3 C O2' O -5.586 -7.535 1.024 . . . 1.0 . . . . . . . . . . . . B . 3 C O2' . . . . . . . . . rr_1mv2 1
. 1 . 380 . 2 1 3 C O3' O -4.004 -9.019 -0.791 . . . 1.0 . . . . . . . . . . . . B . 3 C O3' . . . . . . . . . rr_1mv2 1
. 1 . 381 . 2 1 3 C O4' O -2.945 -8.252 2.563 . . . 1.0 . . . . . . . . . . . . B . 3 C O4' . . . . . . . . . rr_1mv2 1
. 1 . 382 . 2 1 3 C O5' O -0.760 -9.359 0.954 . . . 1.0 . . . . . . . . . . . . B . 3 C O5' . . . . . . . . . rr_1mv2 1
. 1 . 383 . 2 1 3 C OP1 O 0.337 -11.253 -0.281 . . . 1.0 . . . . . . . . . . . . B . 3 C OP1 . . . . . . . . . rr_1mv2 1
. 1 . 384 . 2 1 3 C OP2 O 1.555 -9.031 0.070 . . . 1.0 . . . . . . . . . . . . B . 3 C OP2 . . . . . . . . . rr_1mv2 1
. 1 . 385 . 2 1 3 C P P 0.633 -10.076 0.567 . . . 1.0 . . . . . . . . . . . . B . 3 C P . . . . . . . . . rr_1mv2 1
. 1 . 386 . 2 1 4 A C1' C -6.801 -4.200 -1.073 . . . 1.0 . . . . . . . . . . . . B . 4 A C1' . . . . . . . . . rr_1mv2 1
. 1 . 387 . 2 1 4 A C2 C -5.371 -0.365 0.446 . . . 1.0 . . . . . . . . . . . . B . 4 A C2 . . . . . . . . . rr_1mv2 1
. 1 . 388 . 2 1 4 A C2' C -7.303 -3.914 -2.487 . . . 1.0 . . . . . . . . . . . . B . 4 A C2' . . . . . . . . . rr_1mv2 1
. 1 . 389 . 2 1 4 A C3' C -6.876 -5.179 -3.226 . . . 1.0 . . . . . . . . . . . . B . 4 A C3' . . . . . . . . . rr_1mv2 1
. 1 . 390 . 2 1 4 A C4 C -5.124 -2.416 -0.389 . . . 1.0 . . . . . . . . . . . . B . 4 A C4 . . . . . . . . . rr_1mv2 1
. 1 . 391 . 2 1 4 A C4' C -7.173 -6.221 -2.148 . . . 1.0 . . . . . . . . . . . . B . 4 A C4' . . . . . . . . . rr_1mv2 1
. 1 . 392 . 2 1 4 A C5 C -3.753 -2.334 -0.367 . . . 1.0 . . . . . . . . . . . . B . 4 A C5 . . . . . . . . . rr_1mv2 1
. 1 . 393 . 2 1 4 A C5' C -6.426 -7.542 -2.346 . . . 1.0 . . . . . . . . . . . . B . 4 A C5' . . . . . . . . . rr_1mv2 1
. 1 . 394 . 2 1 4 A C6 C -3.222 -1.125 0.140 . . . 1.0 . . . . . . . . . . . . B . 4 A C6 . . . . . . . . . rr_1mv2 1
. 1 . 395 . 2 1 4 A C8 C -4.216 -4.214 -1.219 . . . 1.0 . . . . . . . . . . . . B . 4 A C8 . . . . . . . . . rr_1mv2 1
. 1 . 396 . 2 1 4 A H1' H -7.467 -3.723 -0.352 . . . 1.0 . . . . . . . . . . . . B . 4 A H1' . . . . . . . . . rr_1mv2 1
. 1 . 397 . 2 1 4 A H2 H -6.003 0.446 0.778 . . . 1.0 . . . . . . . . . . . . B . 4 A H2 . . . . . . . . . rr_1mv2 1
. 1 . 398 . 2 1 4 A H2' H -6.841 -3.027 -2.908 . . . 1.0 . . . . . . . . . . . . B . 4 A H2' . . . . . . . . . rr_1mv2 1
. 1 . 399 . 2 1 4 A H3' H -5.802 -5.149 -3.413 . . . 1.0 . . . . . . . . . . . . B . 4 A H3' . . . . . . . . . rr_1mv2 1
. 1 . 400 . 2 1 4 A H4' H -8.246 -6.419 -2.151 . . . 1.0 . . . . . . . . . . . . B . 4 A H4' . . . . . . . . . rr_1mv2 1
. 1 . 401 . 2 1 4 A H5' H -6.706 -8.233 -1.550 . . . 1.0 . . . . . . . . . . . . B . 4 A H5' . . . . . . . . . rr_1mv2 1
. 1 . 402 . 2 1 4 A H5'' H -6.706 -7.974 -3.308 . . . 1.0 . . . . . . . . . . . . B . 4 A H5'' . . . . . . . . . rr_1mv2 1
. 1 . 403 . 2 1 4 A H61 H -1.631 -0.009 0.692 . . . 1.0 . . . . . . . . . . . . B . 4 A H61 . . . . . . . . . rr_1mv2 1
. 1 . 404 . 2 1 4 A H62 H -1.260 -1.594 0.014 . . . 1.0 . . . . . . . . . . . . B . 4 A H62 . . . . . . . . . rr_1mv2 1
. 1 . 405 . 2 1 4 A H8 H -4.115 -5.181 -1.684 . . . 1.0 . . . . . . . . . . . . B . 4 A H8 . . . . . . . . . rr_1mv2 1
. 1 . 406 . 2 1 4 A HO2' H -9.014 -3.726 -3.370 . . . 1.0 . . . . . . . . . . . . B . 4 A HO2' . . . . . . . . . rr_1mv2 1
. 1 . 407 . 2 1 4 A N1 N -4.060 -0.155 0.536 . . . 1.0 . . . . . . . . . . . . B . 4 A N1 . . . . . . . . . rr_1mv2 1
. 1 . 408 . 2 1 4 A N3 N -6.003 -1.453 0.010 . . . 1.0 . . . . . . . . . . . . B . 4 A N3 . . . . . . . . . rr_1mv2 1
. 1 . 409 . 2 1 4 A N6 N -1.919 -0.870 0.255 . . . 1.0 . . . . . . . . . . . . B . 4 A N6 . . . . . . . . . rr_1mv2 1
. 1 . 410 . 2 1 4 A N7 N -3.181 -3.490 -0.893 . . . 1.0 . . . . . . . . . . . . B . 4 A N7 . . . . . . . . . rr_1mv2 1
. 1 . 411 . 2 1 4 A N9 N -5.429 -3.662 -0.884 . . . 1.0 . . . . . . . . . . . . B . 4 A N9 . . . . . . . . . rr_1mv2 1
. 1 . 412 . 2 1 4 A O2' O -8.711 -3.764 -2.458 . . . 1.0 . . . . . . . . . . . . B . 4 A O2' . . . . . . . . . rr_1mv2 1
. 1 . 413 . 2 1 4 A O3' O -7.592 -5.392 -4.431 . . . 1.0 . . . . . . . . . . . . B . 4 A O3' . . . . . . . . . rr_1mv2 1
. 1 . 414 . 2 1 4 A O4' O -6.829 -5.614 -0.907 . . . 1.0 . . . . . . . . . . . . B . 4 A O4' . . . . . . . . . rr_1mv2 1
. 1 . 415 . 2 1 4 A O5' O -5.030 -7.317 -2.314 . . . 1.0 . . . . . . . . . . . . B . 4 A O5' . . . . . . . . . rr_1mv2 1
. 1 . 416 . 2 1 4 A OP1 O -4.508 -9.619 -3.172 . . . 1.0 . . . . . . . . . . . . B . 4 A OP1 . . . . . . . . . rr_1mv2 1
. 1 . 417 . 2 1 4 A OP2 O -2.631 -7.968 -2.614 . . . 1.0 . . . . . . . . . . . . B . 4 A OP2 . . . . . . . . . rr_1mv2 1
. 1 . 418 . 2 1 4 A P P -3.970 -8.528 -2.328 . . . 1.0 . . . . . . . . . . . . B . 4 A P . . . . . . . . . rr_1mv2 1
. 1 . 419 . 2 1 5 P5P C1' C -7.704 0.151 -3.814 . . . 1.0 . . . . . . . . . . . . B . 5 P5P C1' . . . . . . . . . rr_1mv2 1
. 1 . 420 . 2 1 5 P5P C2 C -4.940 2.909 -1.976 . . . 1.0 . . . . . . . . . . . . B . 5 P5P C2 . . . . . . . . . rr_1mv2 1
. 1 . 421 . 2 1 5 P5P C2' C -7.795 0.923 -5.127 . . . 1.0 . . . . . . . . . . . . B . 5 P5P C2' . . . . . . . . . rr_1mv2 1
. 1 . 422 . 2 1 5 P5P C3' C -7.850 -0.228 -6.132 . . . 1.0 . . . . . . . . . . . . B . 5 P5P C3' . . . . . . . . . rr_1mv2 1
. 1 . 423 . 2 1 5 P5P C4 C -5.516 0.954 -2.867 . . . 1.0 . . . . . . . . . . . . B . 5 P5P C4 . . . . . . . . . rr_1mv2 1
. 1 . 424 . 2 1 5 P5P C4' C -8.765 -1.189 -5.373 . . . 1.0 . . . . . . . . . . . . B . 5 P5P C4' . . . . . . . . . rr_1mv2 1
. 1 . 425 . 2 1 5 P5P C5 C -4.235 0.465 -2.812 . . . 1.0 . . . . . . . . . . . . B . 5 P5P C5 . . . . . . . . . rr_1mv2 1
. 1 . 426 . 2 1 5 P5P C5' C -8.697 -2.643 -5.845 . . . 1.0 . . . . . . . . . . . . B . 5 P5P C5' . . . . . . . . . rr_1mv2 1
. 1 . 427 . 2 1 5 P5P C6 C -3.270 1.339 -2.265 . . . 1.0 . . . . . . . . . . . . B . 5 P5P C6 . . . . . . . . . rr_1mv2 1
. 1 . 428 . 2 1 5 P5P C8 C -5.394 -1.029 -3.765 . . . 1.0 . . . . . . . . . . . . B . 5 P5P C8 . . . . . . . . . rr_1mv2 1
. 1 . 429 . 2 1 5 P5P H1' H -8.191 0.716 -3.017 . . . 1.0 . . . . . . . . . . . . B . 5 P5P H1' . . . . . . . . . rr_1mv2 1
. 1 . 430 . 2 1 5 P5P H2 H -5.195 3.902 -1.636 . . . 1.0 . . . . . . . . . . . . B . 5 P5P H2 . . . . . . . . . rr_1mv2 1
. 1 . 431 . 2 1 5 P5P H2' H -6.921 1.552 -5.293 . . . 1.0 . . . . . . . . . . . . B . 5 P5P H2' . . . . . . . . . rr_1mv2 1
. 1 . 432 . 2 1 5 P5P H3' H -6.862 -0.681 -6.227 . . . 1.0 . . . . . . . . . . . . B . 5 P5P H3' . . . . . . . . . rr_1mv2 1
. 1 . 433 . 2 1 5 P5P H4' H -9.792 -0.833 -5.475 . . . 1.0 . . . . . . . . . . . . B . 5 P5P H4' . . . . . . . . . rr_1mv2 1
. 1 . 434 . 2 1 5 P5P H5'1 H -9.428 -3.229 -5.287 . . . 1.0 . . . . . . . . . . . . B . 5 P5P H5'1 . . . . . . . . . rr_1mv2 1
. 1 . 435 . 2 1 5 P5P H5'2 H -8.943 -2.693 -6.907 . . . 1.0 . . . . . . . . . . . . B . 5 P5P H5'2 . . . . . . . . . rr_1mv2 1
. 1 . 436 . 2 1 5 P5P H6 H -2.232 1.048 -2.199 . . . 1.0 . . . . . . . . . . . . B . 5 P5P H6 . . . . . . . . . rr_1mv2 1
. 1 . 437 . 2 1 5 P5P H8 H -5.679 -1.931 -4.287 . . . 1.0 . . . . . . . . . . . . B . 5 P5P H8 . . . . . . . . . rr_1mv2 1
. 1 . 438 . 2 1 5 P5P HO2' H -8.808 2.486 -4.545 . . . 1.0 . . . . . . . . . . . . B . 5 P5P HO2' . . . . . . . . . rr_1mv2 1
. 1 . 439 . 2 1 5 P5P N1 N -3.659 2.569 -1.863 . . . 1.0 . . . . . . . . . . . . B . 5 P5P N1 . . . . . . . . . rr_1mv2 1
. 1 . 440 . 2 1 5 P5P N3 N -5.943 2.184 -2.462 . . . 1.0 . . . . . . . . . . . . B . 5 P5P N3 . . . . . . . . . rr_1mv2 1
. 1 . 441 . 2 1 5 P5P N7 N -4.170 -0.806 -3.374 . . . 1.0 . . . . . . . . . . . . B . 5 P5P N7 . . . . . . . . . rr_1mv2 1
. 1 . 442 . 2 1 5 P5P N9 N -6.278 -0.022 -3.457 . . . 1.0 . . . . . . . . . . . . B . 5 P5P N9 . . . . . . . . . rr_1mv2 1
. 1 . 443 . 2 1 5 P5P O2' O -8.972 1.716 -5.097 . . . 1.0 . . . . . . . . . . . . B . 5 P5P O2' . . . . . . . . . rr_1mv2 1
. 1 . 444 . 2 1 5 P5P O3' O -8.339 0.166 -7.404 . . . 1.0 . . . . . . . . . . . . B . 5 P5P O3' . . . . . . . . . rr_1mv2 1
. 1 . 445 . 2 1 5 P5P O4' O -8.382 -1.083 -4.006 . . . 1.0 . . . . . . . . . . . . B . 5 P5P O4' . . . . . . . . . rr_1mv2 1
. 1 . 446 . 2 1 5 P5P O5' O -7.405 -3.176 -5.632 . . . 1.0 . . . . . . . . . . . . B . 5 P5P O5' . . . . . . . . . rr_1mv2 1
. 1 . 447 . 2 1 5 P5P OP1 O -7.971 -5.263 -6.903 . . . 1.0 . . . . . . . . . . . . B . 5 P5P OP1 . . . . . . . . . rr_1mv2 1
. 1 . 448 . 2 1 5 P5P OP2 O -5.632 -4.916 -5.920 . . . 1.0 . . . . . . . . . . . . B . 5 P5P OP2 . . . . . . . . . rr_1mv2 1
. 1 . 449 . 2 1 5 P5P P P -7.098 -4.746 -5.827 . . . 1.0 . . . . . . . . . . . . B . 5 P5P P . . . . . . . . . rr_1mv2 1
. 1 . 450 . 2 1 6 G C1' C -5.113 4.701 -5.556 . . . 1.0 . . . . . . . . . . . . B . 6 G C1' . . . . . . . . . rr_1mv2 1
. 1 . 451 . 2 1 6 G C2 C -0.944 5.050 -4.201 . . . 1.0 . . . . . . . . . . . . B . 6 G C2 . . . . . . . . . rr_1mv2 1
. 1 . 452 . 2 1 6 G C2' C -4.896 5.647 -6.736 . . . 1.0 . . . . . . . . . . . . B . 6 G C2' . . . . . . . . . rr_1mv2 1
. 1 . 453 . 2 1 6 G C3' C -5.693 4.956 -7.839 . . . 1.0 . . . . . . . . . . . . B . 6 G C3' . . . . . . . . . rr_1mv2 1
. 1 . 454 . 2 1 6 G C4 C -2.746 3.936 -4.994 . . . 1.0 . . . . . . . . . . . . B . 6 G C4 . . . . . . . . . rr_1mv2 1
. 1 . 455 . 2 1 6 G C4' C -6.886 4.444 -7.036 . . . 1.0 . . . . . . . . . . . . B . 6 G C4' . . . . . . . . . rr_1mv2 1
. 1 . 456 . 2 1 6 G C5 C -2.105 2.716 -4.980 . . . 1.0 . . . . . . . . . . . . B . 6 G C5 . . . . . . . . . rr_1mv2 1
. 1 . 457 . 2 1 6 G C5' C -7.633 3.309 -7.745 . . . 1.0 . . . . . . . . . . . . B . 6 G C5' . . . . . . . . . rr_1mv2 1
. 1 . 458 . 2 1 6 G C6 C -0.769 2.630 -4.465 . . . 1.0 . . . . . . . . . . . . B . 6 G C6 . . . . . . . . . rr_1mv2 1
. 1 . 459 . 2 1 6 G C8 C -4.042 2.365 -5.783 . . . 1.0 . . . . . . . . . . . . B . 6 G C8 . . . . . . . . . rr_1mv2 1
. 1 . 460 . 2 1 6 G H1 H 0.716 3.886 -3.806 . . . 1.0 . . . . . . . . . . . . B . 6 G H1 . . . . . . . . . rr_1mv2 1
. 1 . 461 . 2 1 6 G H1' H -5.129 5.278 -4.630 . . . 1.0 . . . . . . . . . . . . B . 6 G H1' . . . . . . . . . rr_1mv2 1
. 1 . 462 . 2 1 6 G H2' H -3.844 5.745 -6.996 . . . 1.0 . . . . . . . . . . . . B . 6 G H2' . . . . . . . . . rr_1mv2 1
. 1 . 463 . 2 1 6 G H21 H 0.696 6.110 -3.610 . . . 1.0 . . . . . . . . . . . . B . 6 G H21 . . . . . . . . . rr_1mv2 1
. 1 . 464 . 2 1 6 G H22 H -0.779 7.030 -3.902 . . . 1.0 . . . . . . . . . . . . B . 6 G H22 . . . . . . . . . rr_1mv2 1
. 1 . 465 . 2 1 6 G H3' H -5.126 4.110 -8.231 . . . 1.0 . . . . . . . . . . . . B . 6 G H3' . . . . . . . . . rr_1mv2 1
. 1 . 466 . 2 1 6 G H4' H -7.577 5.275 -6.890 . . . 1.0 . . . . . . . . . . . . B . 6 G H4' . . . . . . . . . rr_1mv2 1
. 1 . 467 . 2 1 6 G H5' H -8.527 3.060 -7.175 . . . 1.0 . . . . . . . . . . . . B . 6 G H5' . . . . . . . . . rr_1mv2 1
. 1 . 468 . 2 1 6 G H5'' H -7.941 3.652 -8.734 . . . 1.0 . . . . . . . . . . . . B . 6 G H5'' . . . . . . . . . rr_1mv2 1
. 1 . 469 . 2 1 6 G H8 H -4.903 1.873 -6.208 . . . 1.0 . . . . . . . . . . . . B . 6 G H8 . . . . . . . . . rr_1mv2 1
. 1 . 470 . 2 1 6 G HO2' H -5.686 7.345 -7.236 . . . 1.0 . . . . . . . . . . . . B . 6 G HO2' . . . . . . . . . rr_1mv2 1
. 1 . 471 . 2 1 6 G N1 N -0.244 3.870 -4.123 . . . 1.0 . . . . . . . . . . . . B . 6 G N1 . . . . . . . . . rr_1mv2 1
. 1 . 472 . 2 1 6 G N2 N -0.283 6.155 -3.880 . . . 1.0 . . . . . . . . . . . . B . 6 G N2 . . . . . . . . . rr_1mv2 1
. 1 . 473 . 2 1 6 G N3 N -2.221 5.137 -4.608 . . . 1.0 . . . . . . . . . . . . B . 6 G N3 . . . . . . . . . rr_1mv2 1
. 1 . 474 . 2 1 6 G N7 N -2.937 1.731 -5.508 . . . 1.0 . . . . . . . . . . . . B . 6 G N7 . . . . . . . . . rr_1mv2 1
. 1 . 475 . 2 1 6 G N9 N -4.020 3.700 -5.464 . . . 1.0 . . . . . . . . . . . . B . 6 G N9 . . . . . . . . . rr_1mv2 1
. 1 . 476 . 2 1 6 G O2' O -5.444 6.912 -6.412 . . . 1.0 . . . . . . . . . . . . B . 6 G O2' . . . . . . . . . rr_1mv2 1
. 1 . 477 . 2 1 6 G O3' O -6.089 5.848 -8.870 . . . 1.0 . . . . . . . . . . . . B . 6 G O3' . . . . . . . . . rr_1mv2 1
. 1 . 478 . 2 1 6 G O4' O -6.375 4.067 -5.761 . . . 1.0 . . . . . . . . . . . . B . 6 G O4' . . . . . . . . . rr_1mv2 1
. 1 . 479 . 2 1 6 G O5' O -6.812 2.163 -7.877 . . . 1.0 . . . . . . . . . . . . B . 6 G O5' . . . . . . . . . rr_1mv2 1
. 1 . 480 . 2 1 6 G O6 O -0.069 1.633 -4.305 . . . 1.0 . . . . . . . . . . . . B . 6 G O6 . . . . . . . . . rr_1mv2 1
. 1 . 481 . 2 1 6 G OP1 O -8.183 1.136 -9.712 . . . 1.0 . . . . . . . . . . . . B . 6 G OP1 . . . . . . . . . rr_1mv2 1
. 1 . 482 . 2 1 6 G OP2 O -6.204 -0.120 -8.690 . . . 1.0 . . . . . . . . . . . . B . 6 G OP2 . . . . . . . . . rr_1mv2 1
. 1 . 483 . 2 1 6 G P P -7.359 0.790 -8.532 . . . 1.0 . . . . . . . . . . . . B . 6 G P . . . . . . . . . rr_1mv2 1
. 1 . 484 . 2 1 7 C C1' C -0.678 7.196 -7.592 . . . 1.0 . . . . . . . . . . . . B . 7 C C1' . . . . . . . . . rr_1mv2 1
. 1 . 485 . 2 1 7 C C2 C 0.809 5.255 -7.188 . . . 1.0 . . . . . . . . . . . . B . 7 C C2 . . . . . . . . . rr_1mv2 1
. 1 . 486 . 2 1 7 C C2' C -0.042 7.896 -8.797 . . . 1.0 . . . . . . . . . . . . B . 7 C C2' . . . . . . . . . rr_1mv2 1
. 1 . 487 . 2 1 7 C C3' C -1.231 7.989 -9.752 . . . 1.0 . . . . . . . . . . . . B . 7 C C3' . . . . . . . . . rr_1mv2 1
. 1 . 488 . 2 1 7 C C4 C 0.126 3.055 -7.601 . . . 1.0 . . . . . . . . . . . . B . 7 C C4 . . . . . . . . . rr_1mv2 1
. 1 . 489 . 2 1 7 C C4' C -2.348 8.302 -8.759 . . . 1.0 . . . . . . . . . . . . B . 7 C C4' . . . . . . . . . rr_1mv2 1
. 1 . 490 . 2 1 7 C C5 C -1.133 3.499 -8.120 . . . 1.0 . . . . . . . . . . . . B . 7 C C5 . . . . . . . . . rr_1mv2 1
. 1 . 491 . 2 1 7 C C5' C -3.746 8.012 -9.315 . . . 1.0 . . . . . . . . . . . . B . 7 C C5' . . . . . . . . . rr_1mv2 1
. 1 . 492 . 2 1 7 C C6 C -1.365 4.835 -8.126 . . . 1.0 . . . . . . . . . . . . B . 7 C C6 . . . . . . . . . rr_1mv2 1
. 1 . 493 . 2 1 7 C H1' H -0.232 7.587 -6.675 . . . 1.0 . . . . . . . . . . . . B . 7 C H1' . . . . . . . . . rr_1mv2 1
. 1 . 494 . 2 1 7 C H2' H 0.766 7.310 -9.228 . . . 1.0 . . . . . . . . . . . . B . 7 C H2' . . . . . . . . . rr_1mv2 1
. 1 . 495 . 2 1 7 C H3' H -1.411 7.008 -10.194 . . . 1.0 . . . . . . . . . . . . B . 7 C H3' . . . . . . . . . rr_1mv2 1
. 1 . 496 . 2 1 7 C H4' H -2.283 9.358 -8.492 . . . 1.0 . . . . . . . . . . . . B . 7 C H4' . . . . . . . . . rr_1mv2 1
. 1 . 497 . 2 1 7 C H41 H 1.303 1.487 -7.141 . . . 1.0 . . . . . . . . . . . . B . 7 C H41 . . . . . . . . . rr_1mv2 1
. 1 . 498 . 2 1 7 C H42 H -0.291 1.074 -7.765 . . . 1.0 . . . . . . . . . . . . B . 7 C H42 . . . . . . . . . rr_1mv2 1
. 1 . 499 . 2 1 7 C H5 H -1.890 2.821 -8.485 . . . 1.0 . . . . . . . . . . . . B . 7 C H5 . . . . . . . . . rr_1mv2 1
. 1 . 500 . 2 1 7 C H5' H -4.486 8.243 -8.550 . . . 1.0 . . . . . . . . . . . . B . 7 C H5' . . . . . . . . . rr_1mv2 1
. 1 . 501 . 2 1 7 C H5'' H -3.923 8.650 -10.182 . . . 1.0 . . . . . . . . . . . . B . 7 C H5'' . . . . . . . . . rr_1mv2 1
. 1 . 502 . 2 1 7 C H6 H -2.306 5.198 -8.506 . . . 1.0 . . . . . . . . . . . . B . 7 C H6 . . . . . . . . . rr_1mv2 1
. 1 . 503 . 2 1 7 C HO2' H 1.283 9.031 -7.925 . . . 1.0 . . . . . . . . . . . . B . 7 C HO2' . . . . . . . . . rr_1mv2 1
. 1 . 504 . 2 1 7 C N1 N -0.430 5.723 -7.641 . . . 1.0 . . . . . . . . . . . . B . 7 C N1 . . . . . . . . . rr_1mv2 1
. 1 . 505 . 2 1 7 C N3 N 1.050 3.916 -7.172 . . . 1.0 . . . . . . . . . . . . B . 7 C N3 . . . . . . . . . rr_1mv2 1
. 1 . 506 . 2 1 7 C N4 N 0.402 1.761 -7.521 . . . 1.0 . . . . . . . . . . . . B . 7 C N4 . . . . . . . . . rr_1mv2 1
. 1 . 507 . 2 1 7 C O2 O 1.685 6.032 -6.812 . . . 1.0 . . . . . . . . . . . . B . 7 C O2 . . . . . . . . . rr_1mv2 1
. 1 . 508 . 2 1 7 C O2' O 0.445 9.160 -8.379 . . . 1.0 . . . . . . . . . . . . B . 7 C O2' . . . . . . . . . rr_1mv2 1
. 1 . 509 . 2 1 7 C O3' O -1.101 8.977 -10.762 . . . 1.0 . . . . . . . . . . . . B . 7 C O3' . . . . . . . . . rr_1mv2 1
. 1 . 510 . 2 1 7 C O4' O -2.063 7.527 -7.602 . . . 1.0 . . . . . . . . . . . . B . 7 C O4' . . . . . . . . . rr_1mv2 1
. 1 . 511 . 2 1 7 C O5' O -3.852 6.653 -9.698 . . . 1.0 . . . . . . . . . . . . B . 7 C O5' . . . . . . . . . rr_1mv2 1
. 1 . 512 . 2 1 7 C OP1 O -5.914 7.009 -11.086 . . . 1.0 . . . . . . . . . . . . B . 7 C OP1 . . . . . . . . . rr_1mv2 1
. 1 . 513 . 2 1 7 C OP2 O -4.937 4.664 -10.758 . . . 1.0 . . . . . . . . . . . . B . 7 C OP2 . . . . . . . . . rr_1mv2 1
. 1 . 514 . 2 1 7 C P P -5.232 6.014 -10.229 . . . 1.0 . . . . . . . . . . . . B . 7 C P . . . . . . . . . rr_1mv2 1
. 1 . 515 . 2 1 8 C C1' C 4.226 6.960 -9.984 . . . 1.0 . . . . . . . . . . . . B . 8 C C1' . . . . . . . . . rr_1mv2 1
. 1 . 516 . 2 1 8 C C2 C 4.465 4.498 -9.843 . . . 1.0 . . . . . . . . . . . . B . 8 C C2 . . . . . . . . . rr_1mv2 1
. 1 . 517 . 2 1 8 C C2' C 5.067 7.299 -11.213 . . . 1.0 . . . . . . . . . . . . B . 8 C C2' . . . . . . . . . rr_1mv2 1
. 1 . 518 . 2 1 8 C C3' C 4.084 8.098 -12.059 . . . 1.0 . . . . . . . . . . . . B . 8 C C3' . . . . . . . . . rr_1mv2 1
. 1 . 519 . 2 1 8 C C4 C 2.655 3.054 -10.158 . . . 1.0 . . . . . . . . . . . . B . 8 C C4 . . . . . . . . . rr_1mv2 1
. 1 . 520 . 2 1 8 C C4' C 3.364 8.881 -10.961 . . . 1.0 . . . . . . . . . . . . B . 8 C C4' . . . . . . . . . rr_1mv2 1
. 1 . 521 . 2 1 8 C C5 C 1.796 4.140 -10.527 . . . 1.0 . . . . . . . . . . . . B . 8 C C5 . . . . . . . . . rr_1mv2 1
. 1 . 522 . 2 1 8 C C5' C 2.007 9.438 -11.403 . . . 1.0 . . . . . . . . . . . . B . 8 C C5' . . . . . . . . . rr_1mv2 1
. 1 . 523 . 2 1 8 C C6 C 2.330 5.387 -10.498 . . . 1.0 . . . . . . . . . . . . B . 8 C C6 . . . . . . . . . rr_1mv2 1
. 1 . 524 . 2 1 8 C H1' H 4.873 6.975 -9.105 . . . 1.0 . . . . . . . . . . . . B . 8 C H1' . . . . . . . . . rr_1mv2 1
. 1 . 525 . 2 1 8 C H2' H 5.412 6.409 -11.735 . . . 1.0 . . . . . . . . . . . . B . 8 C H2' . . . . . . . . . rr_1mv2 1
. 1 . 526 . 2 1 8 C H3' H 3.382 7.420 -12.547 . . . 1.0 . . . . . . . . . . . . B . 8 C H3' . . . . . . . . . rr_1mv2 1
. 1 . 527 . 2 1 8 C H4' H 4.001 9.713 -10.658 . . . 1.0 . . . . . . . . . . . . B . 8 C H4' . . . . . . . . . rr_1mv2 1
. 1 . 528 . 2 1 8 C H41 H 2.869 1.074 -9.903 . . . 1.0 . . . . . . . . . . . . B . 8 C H41 . . . . . . . . . rr_1mv2 1
. 1 . 529 . 2 1 8 C H42 H 1.262 1.596 -10.410 . . . 1.0 . . . . . . . . . . . . B . 8 C H42 . . . . . . . . . rr_1mv2 1
. 1 . 530 . 2 1 8 C H5 H 0.767 4.001 -10.821 . . . 1.0 . . . . . . . . . . . . B . 8 C H5 . . . . . . . . . rr_1mv2 1
. 1 . 531 . 2 1 8 C H5' H 1.566 9.996 -10.577 . . . 1.0 . . . . . . . . . . . . B . 8 C H5' . . . . . . . . . rr_1mv2 1
. 1 . 532 . 2 1 8 C H5'' H 2.156 10.116 -12.244 . . . 1.0 . . . . . . . . . . . . B . 8 C H5'' . . . . . . . . . rr_1mv2 1
. 1 . 533 . 2 1 8 C H6 H 1.713 6.224 -10.781 . . . 1.0 . . . . . . . . . . . . B . 8 C H6 . . . . . . . . . rr_1mv2 1
. 1 . 534 . 2 1 8 C HO2' H 6.414 8.654 -11.545 . . . 1.0 . . . . . . . . . . . . B . 8 C HO2' . . . . . . . . . rr_1mv2 1
. 1 . 535 . 2 1 8 C N1 N 3.635 5.594 -10.111 . . . 1.0 . . . . . . . . . . . . B . 8 C N1 . . . . . . . . . rr_1mv2 1
. 1 . 536 . 2 1 8 C N3 N 3.938 3.246 -9.858 . . . 1.0 . . . . . . . . . . . . B . 8 C N3 . . . . . . . . . rr_1mv2 1
. 1 . 537 . 2 1 8 C N4 N 2.212 1.806 -10.156 . . . 1.0 . . . . . . . . . . . . B . 8 C N4 . . . . . . . . . rr_1mv2 1
. 1 . 538 . 2 1 8 C O2 O 5.663 4.640 -9.609 . . . 1.0 . . . . . . . . . . . . B . 8 C O2 . . . . . . . . . rr_1mv2 1
. 1 . 539 . 2 1 8 C O2' O 6.168 8.092 -10.804 . . . 1.0 . . . . . . . . . . . . B . 8 C O2' . . . . . . . . . rr_1mv2 1
. 1 . 540 . 2 1 8 C O3' O 4.754 8.920 -13.003 . . . 1.0 . . . . . . . . . . . . B . 8 C O3' . . . . . . . . . rr_1mv2 1
. 1 . 541 . 2 1 8 C O4' O 3.245 7.986 -9.860 . . . 1.0 . . . . . . . . . . . . B . 8 C O4' . . . . . . . . . rr_1mv2 1
. 1 . 542 . 2 1 8 C O5' O 1.140 8.388 -11.789 . . . 1.0 . . . . . . . . . . . . B . 8 C O5' . . . . . . . . . rr_1mv2 1
. 1 . 543 . 2 1 8 C OP1 O -0.463 9.880 -13.012 . . . 1.0 . . . . . . . . . . . . B . 8 C OP1 . . . . . . . . . rr_1mv2 1
. 1 . 544 . 2 1 8 C OP2 O -0.962 7.390 -12.700 . . . 1.0 . . . . . . . . . . . . B . 8 C OP2 . . . . . . . . . rr_1mv2 1
. 1 . 545 . 2 1 8 C P P -0.400 8.657 -12.182 . . . 1.0 . . . . . . . . . . . . B . 8 C P . . . . . . . . . rr_1mv2 1
. 1 . 546 . 2 1 9 U C1' C 7.162 3.617 -13.057 . . . 1.0 . . . . . . . . . . . . B . 9 U C1' . . . . . . . . . rr_1mv2 1
. 1 . 547 . 2 1 9 U C2 C 5.545 1.750 -12.885 . . . 1.0 . . . . . . . . . . . . B . 9 U C2 . . . . . . . . . rr_1mv2 1
. 1 . 548 . 2 1 9 U C2' C 7.840 3.430 -14.419 . . . 1.0 . . . . . . . . . . . . B . 9 U C2' . . . . . . . . . rr_1mv2 1
. 1 . 549 . 2 1 9 U C3' C 7.686 4.813 -15.045 . . . 1.0 . . . . . . . . . . . . B . 9 U C3' . . . . . . . . . rr_1mv2 1
. 1 . 550 . 2 1 9 U C4 C 3.133 2.067 -13.294 . . . 1.0 . . . . . . . . . . . . B . 9 U C4 . . . . . . . . . rr_1mv2 1
. 1 . 551 . 2 1 9 U C4' C 7.860 5.703 -13.813 . . . 1.0 . . . . . . . . . . . . B . 9 U C4' . . . . . . . . . rr_1mv2 1
. 1 . 552 . 2 1 9 U C5 C 3.432 3.468 -13.514 . . . 1.0 . . . . . . . . . . . . B . 9 U C5 . . . . . . . . . rr_1mv2 1
. 1 . 553 . 2 1 9 U C5' C 7.295 7.119 -13.996 . . . 1.0 . . . . . . . . . . . . B . 9 U C5' . . . . . . . . . rr_1mv2 1
. 1 . 554 . 2 1 9 U C6 C 4.697 3.947 -13.408 . . . 1.0 . . . . . . . . . . . . B . 9 U C6 . . . . . . . . . rr_1mv2 1
. 1 . 555 . 2 1 9 U H1' H 7.716 3.047 -12.309 . . . 1.0 . . . . . . . . . . . . B . 9 U H1' . . . . . . . . . rr_1mv2 1
. 1 . 556 . 2 1 9 U H2' H 7.354 2.661 -15.022 . . . 1.0 . . . . . . . . . . . . B . 9 U H2' . . . . . . . . . rr_1mv2 1
. 1 . 557 . 2 1 9 U H3 H 4.073 0.320 -12.776 . . . 1.0 . . . . . . . . . . . . B . 9 U H3 . . . . . . . . . rr_1mv2 1
. 1 . 558 . 2 1 9 U H3' H 6.677 4.921 -15.445 . . . 1.0 . . . . . . . . . . . . B . 9 U H3' . . . . . . . . . rr_1mv2 1
. 1 . 559 . 2 1 9 U H4' H 8.926 5.780 -13.595 . . . 1.0 . . . . . . . . . . . . B . 9 U H4' . . . . . . . . . rr_1mv2 1
. 1 . 560 . 2 1 9 U H5 H 2.621 4.136 -13.765 . . . 1.0 . . . . . . . . . . . . B . 9 U H5 . . . . . . . . . rr_1mv2 1
. 1 . 561 . 2 1 9 U H5' H 7.450 7.682 -13.077 . . . 1.0 . . . . . . . . . . . . B . 9 U H5' . . . . . . . . . rr_1mv2 1
. 1 . 562 . 2 1 9 U H5'' H 7.838 7.612 -14.804 . . . 1.0 . . . . . . . . . . . . B . 9 U H5'' . . . . . . . . . rr_1mv2 1
. 1 . 563 . 2 1 9 U H6 H 4.871 4.997 -13.582 . . . 1.0 . . . . . . . . . . . . B . 9 U H6 . . . . . . . . . rr_1mv2 1
. 1 . 564 . 2 1 9 U HO2' H 9.707 3.467 -14.946 . . . 1.0 . . . . . . . . . . . . B . 9 U HO2' . . . . . . . . . rr_1mv2 1
. 1 . 565 . 2 1 9 U HO3' H 8.381 4.598 -16.856 . . . 1.0 . . . . . . . . . . . . B . 9 U HO3' . . . . . . . . . rr_1mv2 1
. 1 . 566 . 2 1 9 U N1 N 5.754 3.119 -13.090 . . . 1.0 . . . . . . . . . . . . B . 9 U N1 . . . . . . . . . rr_1mv2 1
. 1 . 567 . 2 1 9 U N3 N 4.237 1.296 -12.967 . . . 1.0 . . . . . . . . . . . . B . 9 U N3 . . . . . . . . . rr_1mv2 1
. 1 . 568 . 2 1 9 U O2 O 6.456 0.956 -12.662 . . . 1.0 . . . . . . . . . . . . B . 9 U O2 . . . . . . . . . rr_1mv2 1
. 1 . 569 . 2 1 9 U O2' O 9.203 3.103 -14.211 . . . 1.0 . . . . . . . . . . . . B . 9 U O2' . . . . . . . . . rr_1mv2 1
. 1 . 570 . 2 1 9 U O3' O 8.649 5.057 -16.056 . . . 1.0 . . . . . . . . . . . . B . 9 U O3' . . . . . . . . . rr_1mv2 1
. 1 . 571 . 2 1 9 U O4 O 2.022 1.554 -13.373 . . . 1.0 . . . . . . . . . . . . B . 9 U O4 . . . . . . . . . rr_1mv2 1
. 1 . 572 . 2 1 9 U O4' O 7.242 5.005 -12.738 . . . 1.0 . . . . . . . . . . . . B . 9 U O4' . . . . . . . . . rr_1mv2 1
. 1 . 573 . 2 1 9 U O5' O 5.915 7.077 -14.313 . . . 1.0 . . . . . . . . . . . . B . 9 U O5' . . . . . . . . . rr_1mv2 1
. 1 . 574 . 2 1 9 U OP1 O 5.860 9.432 -15.194 . . . 1.0 . . . . . . . . . . . . B . 9 U OP1 . . . . . . . . . rr_1mv2 1
. 1 . 575 . 2 1 9 U OP2 O 3.733 8.012 -15.102 . . . 1.0 . . . . . . . . . . . . B . 9 U OP2 . . . . . . . . . rr_1mv2 1
. 1 . 576 . 2 1 9 U P P 5.029 8.415 -14.513 . . . 1.0 . . . . . . . . . . . . B . 9 U P . . . . . . . . . rr_1mv2 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_1mv2
_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 1mv2.mr . . "MR format" 1 comment "Not applicable" "Not applicable" 0 rr_1mv2 1
1 1mv2.mr . . DISCOVER 2 distance "hydrogen bond" simple 18 rr_1mv2 1
1 1mv2.mr . . DISCOVER 3 distance NOE simple 142 rr_1mv2 1
1 1mv2.mr . . DISCOVER 4 "dihedral angle" "Not applicable" "Not applicable" 118 rr_1mv2 1
1 1mv2.mr . . "MR format" 5 "nomenclature mapping" "Not applicable" "Not applicable" 0 rr_1mv2 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_1mv2
_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: '1mv2'" . . . . distance "general distance" . 142 rr_1mv2 1
2 "From CCPN project: '1mv2'" . . . . distance "hydrogen bond" . 18 rr_1mv2 1
3 "From CCPN project: '1mv2'" . . . . "dihedral angle" "Not applicable" . 118 rr_1mv2 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 1mv2.mr . . "MR format" 1 comment "Not applicable" "Not applicable" 0 rr_1mv2 1
1 1mv2.mr . . DISCOVER 2 distance "hydrogen bond" simple 18 rr_1mv2 1
1 1mv2.mr . . DISCOVER 3 distance NOE simple 142 rr_1mv2 1
1 1mv2.mr . . DISCOVER 4 "dihedral angle" "Not applicable" "Not applicable" 118 rr_1mv2 1
1 1mv2.mr . . "MR format" 5 "nomenclature mapping" "Not applicable" "Not applicable" 0 rr_1mv2 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_1mv2
_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_1mv2 1
stop_
loop_
_Gen_dist_constraint.ID
_Gen_dist_constraint.Member_ID
_Gen_dist_constraint.Member_logic_code
_Gen_dist_constraint.Assembly_atom_ID_1
_Gen_dist_constraint.Entity_assembly_ID_1
_Gen_dist_constraint.Entity_ID_1
_Gen_dist_constraint.Comp_index_ID_1
_Gen_dist_constraint.Seq_ID_1
_Gen_dist_constraint.Comp_ID_1
_Gen_dist_constraint.Atom_ID_1
_Gen_dist_constraint.Atom_type_1
_Gen_dist_constraint.Atom_isotope_number_1
_Gen_dist_constraint.Resonance_ID_1
_Gen_dist_constraint.Assembly_atom_ID_2
_Gen_dist_constraint.Entity_assembly_ID_2
_Gen_dist_constraint.Entity_ID_2
_Gen_dist_constraint.Comp_index_ID_2
_Gen_dist_constraint.Seq_ID_2
_Gen_dist_constraint.Comp_ID_2
_Gen_dist_constraint.Atom_ID_2
_Gen_dist_constraint.Atom_type_2
_Gen_dist_constraint.Atom_isotope_number_2
_Gen_dist_constraint.Resonance_ID_2
_Gen_dist_constraint.Intensity_val
_Gen_dist_constraint.Intensity_lower_val_err
_Gen_dist_constraint.Intensity_upper_val_err
_Gen_dist_constraint.Distance_val
_Gen_dist_constraint.Distance_lower_bound_val
_Gen_dist_constraint.Distance_upper_bound_val
_Gen_dist_constraint.Contribution_fractional_val
_Gen_dist_constraint.Spectral_peak_ID
_Gen_dist_constraint.Spectral_peak_list_ID
_Gen_dist_constraint.PDB_record_ID_1
_Gen_dist_constraint.PDB_model_num_1
_Gen_dist_constraint.PDB_strand_ID_1
_Gen_dist_constraint.PDB_ins_code_1
_Gen_dist_constraint.PDB_residue_no_1
_Gen_dist_constraint.PDB_residue_name_1
_Gen_dist_constraint.PDB_atom_name_1
_Gen_dist_constraint.PDB_record_ID_2
_Gen_dist_constraint.PDB_model_num_2
_Gen_dist_constraint.PDB_strand_ID_2
_Gen_dist_constraint.PDB_ins_code_2
_Gen_dist_constraint.PDB_residue_no_2
_Gen_dist_constraint.PDB_residue_name_2
_Gen_dist_constraint.PDB_atom_name_2
_Gen_dist_constraint.Auth_entity_assembly_ID_1
_Gen_dist_constraint.Auth_asym_ID_1
_Gen_dist_constraint.Auth_chain_ID_1
_Gen_dist_constraint.Auth_seq_ID_1
_Gen_dist_constraint.Auth_comp_ID_1
_Gen_dist_constraint.Auth_atom_ID_1
_Gen_dist_constraint.Auth_alt_ID_1
_Gen_dist_constraint.Auth_atom_name_1
_Gen_dist_constraint.Auth_entity_assembly_ID_2
_Gen_dist_constraint.Auth_asym_ID_2
_Gen_dist_constraint.Auth_chain_ID_2
_Gen_dist_constraint.Auth_seq_ID_2
_Gen_dist_constraint.Auth_comp_ID_2
_Gen_dist_constraint.Auth_atom_ID_2
_Gen_dist_constraint.Auth_alt_ID_2
_Gen_dist_constraint.Auth_atom_name_2
_Gen_dist_constraint.Entry_ID
_Gen_dist_constraint.Gen_dist_constraint_list_ID
1 1 . . 1 1 1 1 G H8 H . . . 1 1 1 1 G H1' H . . . . . . 2.559 4.753 . . . . . A . 1 G H8 . . A . 1 G H1' . 1 . 1 G5' H8 . . . 1 . 1 G5' H1' . . rr_1mv2 1
2 1 . . 1 1 1 1 G H1' H . . . 1 1 1 1 G H4' H . . . . . . 2.378 4.416 . . . . . A . 1 G H1' . . A . 1 G H4' . 1 . 1 G5' H1' . . . 1 . 1 G5' H4' . . rr_1mv2 1
3 1 . . 1 1 1 1 G H1' H . . . 1 1 2 2 G H8 H . . . . . . 2.821 5.240 . . . . . A . 1 G H1' . . A . 2 G H8 . 1 . 1 G5' H1' . . . 1 . 2 G H8 . . rr_1mv2 1
4 1 . . 1 1 1 1 G H1' H . . . 1 1 1 1 G H3' H . . . . . . 2.309 4.287 . . . . . A . 1 G H1' . . A . 1 G H3' . 1 . 1 G5' H1' . . . 1 . 1 G5' H3' . . rr_1mv2 1
5 1 . . 1 1 1 1 G H1' H . . . 1 1 1 1 G H2' H . . . . . . 1.887 3.504 . . . . . A . 1 G H2' . . A . 1 G H1' . 1 . 1 G5' H2' . . . 1 . 1 G5' H1' . . rr_1mv2 1
6 1 . . 1 1 1 1 G H3' H . . . 1 1 1 1 G H2' H . . . . . . 1.497 2.780 . . . . . A . 1 G H2' . . A . 1 G H3' . 1 . 1 G5' H2' . . . 1 . 1 G5' H3' . . rr_1mv2 1
7 1 . . 1 1 1 1 G H4' H . . . 1 1 1 1 G H2' H . . . . . . 2.559 4.753 . . . . . A . 1 G H2' . . A . 1 G H4' . 1 . 1 G5' H2' . . . 1 . 1 G5' H4' . . rr_1mv2 1
8 1 . . 1 1 1 1 G H8 H . . . 1 1 1 1 G H3' H . . . . . . 2.255 4.187 . . . . . A . 1 G H3' . . A . 1 G H8 . 1 . 1 G5' H3' . . . 1 . 1 G5' H8 . . rr_1mv2 1
9 1 . . 1 1 2 2 G H8 H . . . 1 1 1 1 G H2' H . . . . . . 1.661 3.085 . . . . . A . 2 G H8 . . A . 1 G H2' . 1 . 2 G H8 . . . 1 . 1 G5' H2' . . rr_1mv2 1
10 1 . . 1 1 2 2 G H8 H . . . 1 1 1 1 G H3' H . . . . . . 1.724 3.202 . . . . . A . 2 G H8 . . A . 1 G H3' . 1 . 2 G H8 . . . 1 . 1 G5' H3' . . rr_1mv2 1
11 1 . . 1 1 2 2 G H8 H . . . 1 1 2 2 G H1' H . . . . . . 2.802 5.204 . . . . . A . 2 G H8 . . A . 2 G H1' . 1 . 2 G H8 . . . 1 . 2 G H1' . . rr_1mv2 1
12 1 . . 1 1 1 1 G H2' H . . . 1 1 2 2 G H1' H . . . . . . 2.954 5.485 . . . . . A . 2 G H1' . . A . 1 G H2' . 1 . 2 G H1' . . . 1 . 1 G5' H2' . . rr_1mv2 1
13 1 . . 1 1 2 2 G H1' H . . . 1 1 3 3 C H5 H . . . . . . 3.211 5.964 . . . . . A . 2 G H1' . . A . 3 C H5 . 1 . 2 G H1' . . . 1 . 3 C H5 . . rr_1mv2 1
14 1 . . 1 1 2 2 G H1' H . . . 1 1 2 2 G H3' H . . . . . . 2.200 4.087 . . . . . A . 2 G H1' . . A . 2 G H3' . 1 . 2 G H1' . . . 1 . 2 G H3' . . rr_1mv2 1
15 1 . . 1 1 2 2 G H1' H . . . 1 1 2 2 G H2' H . . . . . . 2.040 3.789 . . . . . A . 2 G H2' . . A . 2 G H1' . 1 . 2 G H2' . . . 1 . 2 G H1' . . rr_1mv2 1
16 1 . . 1 1 3 3 C H5 H . . . 1 1 2 2 G H2' H . . . . . . 2.992 5.556 . . . . . A . 2 G H2' . . A . 3 C H5 . 1 . 2 G H2' . . . 1 . 3 C H5 . . rr_1mv2 1
17 1 . . 1 1 2 2 G H2' H . . . 1 1 3 3 C H6 H . . . . . . 1.727 3.208 . . . . . A . 2 G H2' . . A . 3 C H6 . 1 . 2 G H2' . . . 1 . 3 C H6 . . rr_1mv2 1
18 1 . . 1 1 2 2 G H2' H . . . 1 1 3 3 C H1' H . . . . . . 3.211 5.964 . . . . . A . 2 G H2' . . A . 3 C H1' . 1 . 2 G H2' . . . 1 . 3 C H1' . . rr_1mv2 1
19 1 . . 1 1 2 2 G H8 H . . . 1 1 3 3 C H5 H . . . . . . 2.776 5.156 . . . . . A . 3 C H5 . . A . 2 G H8 . 1 . 3 C H5 . . . 1 . 2 G H8 . . rr_1mv2 1
20 1 . . 1 1 3 3 C H5 H . . . 1 1 3 3 C H6 H . . . . . . 1.728 3.210 . . . . . A . 3 C H6 . . A . 3 C H5 . 1 . 3 C H6 . . . 1 . 3 C H5 . . rr_1mv2 1
21 1 . . 1 1 3 3 C H6 H . . . 1 1 3 3 C H1' H . . . . . . 2.560 4.754 . . . . . A . 3 C H6 . . A . 3 C H1' . 1 . 3 C H6 . . . 1 . 3 C H1' . . rr_1mv2 1
22 1 . . 1 1 3 3 C H6 H . . . 1 1 3 3 C H2' H . . . . . . 2.293 4.258 . . . . . A . 3 C H6 . . A . 3 C H2' . 1 . 3 C H6 . . . 1 . 3 C H2' . . rr_1mv2 1
23 1 . . 1 1 3 3 C H1' H . . . 1 1 3 3 C H3' H . . . . . . 2.171 4.032 . . . . . A . 3 C H1' . . A . 3 C H3' . 1 . 3 C H1' . . . 1 . 3 C H3' . . rr_1mv2 1
24 1 . . 1 1 3 3 C H1' H . . . 1 1 3 3 C H2' H . . . . . . 1.904 3.537 . . . . . A . 3 C H2' . . A . 3 C H1' . 1 . 3 C H2' . . . 1 . 3 C H1' . . rr_1mv2 1
25 1 . . 1 1 3 3 C H2' H . . . 1 1 4 4 A H1' H . . . . . . 2.354 4.371 . . . . . A . 3 C H2' . . A . 4 A H1' . 1 . 3 C H2' . . . 1 . 4 A H1' . . rr_1mv2 1
26 1 . . 1 1 3 3 C H6 H . . . 1 1 3 3 C H3' H . . . . . . 2.010 3.732 . . . . . A . 3 C H3' . . A . 3 C H6 . 1 . 3 C H3' . . . 1 . 3 C H6 . . rr_1mv2 1
27 1 . . 1 1 3 3 C H3' H . . . 1 1 4 4 A H8 H . . . . . . 2.048 3.803 . . . . . A . 3 C H3' . . A . 4 A H8 . 1 . 3 C H3' . . . 1 . 4 A H8 . . rr_1mv2 1
28 1 . . 1 1 3 3 C H2' H . . . 1 1 4 4 A H8 H . . . . . . 1.834 3.406 . . . . . A . 4 A H8 . . A . 3 C H2' . 1 . 4 A H8 . . . 1 . 3 C H2' . . rr_1mv2 1
29 1 . . 1 1 4 4 A H1' H . . . 1 1 4 4 A H8 H . . . . . . 2.875 5.339 . . . . . A . 4 A H8 . . A . 4 A H1' . 1 . 4 A H8 . . . 1 . 4 A H1' . . rr_1mv2 1
30 1 . . 1 1 4 4 A H8 H . . . 1 1 4 4 A H3' H . . . . . . 2.176 4.040 . . . . . A . 4 A H8 . . A . 4 A H3' . 1 . 4 A H8 . . . 1 . 4 A H3' . . rr_1mv2 1
31 1 . . 1 1 4 4 A H1' H . . . 1 1 4 4 A H2' H . . . . . . 1.826 3.391 . . . . . A . 4 A H1' . . A . 4 A H2' . 1 . 4 A H1' . . . 1 . 4 A H2' . . rr_1mv2 1
32 1 . . 1 1 4 4 A H1' H . . . 1 1 4 4 A H3' H . . . . . . 2.791 5.184 . . . . . A . 4 A H1' . . A . 4 A H3' . 1 . 4 A H1' . . . 1 . 4 A H3' . . rr_1mv2 1
33 1 . . 1 1 4 4 A H8 H . . . 1 1 4 4 A H2' H . . . . . . 2.414 4.483 . . . . . A . 4 A H2' . . A . 4 A H8 . 1 . 4 A H2' . . . 1 . 4 A H8 . . rr_1mv2 1
34 1 . . 1 1 5 5 P5P H2 H . . . 1 1 5 5 P5P H1' H . . . . . . 3.188 5.920 . . . . . A . 5 P5P H2 . . A . 5 P5P H1' . 1 . 5 PUR H2 . . . 1 . 5 PUR H1' . . rr_1mv2 1
35 1 . . 1 1 4 4 A H3' H . . . 1 1 5 5 P5P H8 H . . . . . . 2.550 4.736 . . . . . A . 5 P5P H8 . . A . 4 A H3' . 1 . 5 PUR H8 . . . 1 . 4 A H3' . . rr_1mv2 1
36 1 . . 1 1 5 5 P5P H8 H . . . 1 1 5 5 P5P H2' H . . . . . . 2.667 4.953 . . . . . A . 5 P5P H8 . . A . 5 P5P H2' . 1 . 5 PUR H8 . . . 1 . 5 PUR H2' . . rr_1mv2 1
37 1 . . 1 1 4 4 A H2' H . . . 1 1 5 5 P5P H8 H . . . . . . 2.023 3.757 . . . . . A . 5 P5P H8 . . A . 4 A H2' . 1 . 5 PUR H8 . . . 1 . 4 A H2' . . rr_1mv2 1
38 1 . . 1 1 5 5 P5P H1' H . . . 1 1 5 5 P5P H3' H . . . . . . 2.278 4.230 . . . . . A . 5 P5P H1' . . A . 5 P5P H3' . 1 . 5 PUR H1' . . . 1 . 5 PUR H3' . . rr_1mv2 1
39 1 . . 1 1 5 5 P5P H1' H . . . 1 1 4 4 A H2 H . . . . . . 2.897 5.380 . . . . . A . 5 P5P H1' . . A . 4 A H2 . 1 . 5 PUR H1' . . . 1 . 4 A H2 . . rr_1mv2 1
40 1 . . 1 1 5 5 P5P H1' H . . . 1 1 5 5 P5P H2' H . . . . . . 2.079 3.861 . . . . . A . 5 P5P H2' . . A . 5 P5P H1' . 1 . 5 PUR H2' . . . 1 . 5 PUR H1' . . rr_1mv2 1
41 1 . . 1 1 5 5 P5P H2' H . . . 1 1 6 6 G H8 H . . . . . . 1.842 3.422 . . . . . A . 5 P5P H2' . . A . 6 G H8 . 1 . 5 PUR H2' . . . 1 . 6 G H8 . . rr_1mv2 1
42 1 . . 1 1 6 6 G H8 H . . . 1 1 6 6 G H3' H . . . . . . 1.860 3.454 . . . . . A . 6 G H8 . . A . 6 G H3' . 1 . 6 G H8 . . . 1 . 6 G H3' . . rr_1mv2 1
43 1 . . 1 1 6 6 G H8 H . . . 1 1 6 6 G H1' H . . . . . . 2.958 5.494 . . . . . A . 6 G H1' . . A . 6 G H8 . 1 . 6 G H1' . . . 1 . 6 G H8 . . rr_1mv2 1
44 1 . . 1 1 6 6 G H1' H . . . 1 1 6 6 G H2' H . . . . . . 1.953 3.627 . . . . . A . 6 G H1' . . A . 6 G H2' . 1 . 6 G H1' . . . 1 . 6 G H2' . . rr_1mv2 1
45 1 . . 1 1 6 6 G H1' H . . . 1 1 7 7 C H6 H . . . . . . 2.797 5.194 . . . . . A . 6 G H1' . . A . 7 C H6 . 1 . 6 G H1' . . . 1 . 7 C H6 . . rr_1mv2 1
46 1 . . 1 1 6 6 G H2' H . . . 1 1 7 7 C H6 H . . . . . . 1.807 3.357 . . . . . A . 6 G H2' . . A . 7 C H6 . 1 . 6 G H2' . . . 1 . 7 C H6 . . rr_1mv2 1
47 1 . . 1 1 6 6 G H2' H . . . 1 1 7 7 C H5 H . . . . . . 2.635 4.893 . . . . . A . 6 G H2' . . A . 7 C H5 . 1 . 6 G H2' . . . 1 . 7 C H5 . . rr_1mv2 1
48 1 . . 1 1 7 7 C H5 H . . . 1 1 8 8 C H5 H . . . . . . 2.417 4.488 . . . . . A . 7 C H5 . . A . 8 C H5 . 1 . 7 C H5 . . . 1 . 8 C H5 . . rr_1mv2 1
49 1 . . 1 1 7 7 C H6 H . . . 1 1 7 7 C H5 H . . . . . . 1.772 3.291 . . . . . A . 7 C H6 . . A . 7 C H5 . 1 . 7 C H6 . . . 1 . 7 C H5 . . rr_1mv2 1
50 1 . . 1 1 7 7 C H6 H . . . 1 1 7 7 C H1' H . . . . . . 2.272 4.219 . . . . . A . 7 C H6 . . A . 7 C H1' . 1 . 7 C H6 . . . 1 . 7 C H1' . . rr_1mv2 1
51 1 . . 1 1 7 7 C H1' H . . . 1 1 7 7 C H2' H . . . . . . 1.907 3.541 . . . . . A . 7 C H2' . . A . 7 C H1' . 1 . 7 C H2' . . . 1 . 7 C H1' . . rr_1mv2 1
52 1 . . 1 1 8 8 C H5 H . . . 1 1 7 7 C H2' H . . . . . . 2.570 4.773 . . . . . A . 7 C H2' . . A . 8 C H5 . 1 . 7 C H2' . . . 1 . 8 C H5 . . rr_1mv2 1
53 1 . . 1 1 7 7 C H6 H . . . 1 1 7 7 C H3' H . . . . . . 1.913 3.552 . . . . . A . 7 C H3' . . A . 7 C H6 . 1 . 7 C H3' . . . 1 . 7 C H6 . . rr_1mv2 1
54 1 . . 1 1 7 7 C H1' H . . . 1 1 7 7 C H3' H . . . . . . 2.409 4.474 . . . . . A . 7 C H3' . . A . 7 C H1' . 1 . 7 C H3' . . . 1 . 7 C H1' . . rr_1mv2 1
55 1 . . 1 1 7 7 C H2' H . . . 1 1 8 8 C H6 H . . . . . . 1.598 2.968 . . . . . A . 8 C H6 . . A . 7 C H2' . 1 . 8 C H6 . . . 1 . 7 C H2' . . rr_1mv2 1
56 1 . . 1 1 8 8 C H5 H . . . 1 1 8 8 C H6 H . . . . . . 1.710 3.175 . . . . . A . 8 C H6 . . A . 8 C H5 . 1 . 8 C H6 . . . 1 . 8 C H5 . . rr_1mv2 1
57 1 . . 1 1 8 8 C H6 H . . . 1 1 8 8 C H1' H . . . . . . 2.658 4.936 . . . . . A . 8 C H1' . . A . 8 C H6 . 1 . 8 C H1' . . . 1 . 8 C H6 . . rr_1mv2 1
58 1 . . 1 1 8 8 C H1' H . . . 1 1 8 8 C H2' H . . . . . . 1.811 3.364 . . . . . A . 8 C H2' . . A . 8 C H1' . 1 . 8 C H2' . . . 1 . 8 C H1' . . rr_1mv2 1
59 1 . . 1 1 8 8 C H2' H . . . 1 1 9 9 U H5 H . . . . . . 2.232 4.145 . . . . . A . 9 U H5 . . A . 8 C H2' . 1 . 9 U3' H5 . . . 1 . 8 C H2' . . rr_1mv2 1
60 1 . . 1 1 8 8 C H2' H . . . 1 1 9 9 U H6 H . . . . . . 1.752 3.254 . . . . . A . 9 U H6 . . A . 8 C H2' . 1 . 9 U3' H6 . . . 1 . 8 C H2' . . rr_1mv2 1
61 1 . . 1 1 9 9 U H5 H . . . 1 1 9 9 U H6 H . . . . . . 1.743 3.236 . . . . . A . 9 U H6 . . A . 9 U H5 . 1 . 9 U3' H6 . . . 1 . 9 U3' H5 . . rr_1mv2 1
62 1 . . 1 1 9 9 U H6 H . . . 1 1 9 9 U H3' H . . . . . . 1.802 3.347 . . . . . A . 9 U H6 . . A . 9 U H3' . 1 . 9 U3' H6 . . . 1 . 9 U3' H3' . . rr_1mv2 1
63 1 . . 1 1 9 9 U H6 H . . . 1 1 9 9 U H1' H . . . . . . 3.136 5.824 . . . . . A . 9 U H1' . . A . 9 U H6 . 1 . 9 U3' H1' . . . 1 . 9 U3' H6 . . rr_1mv2 1
64 1 . . 1 1 9 9 U H6 H . . . 1 1 9 9 U H2' H . . . . . . 2.404 4.464 . . . . . A . 9 U H2' . . A . 9 U H6 . 1 . 9 U3' H2' . . . 1 . 9 U3' H6 . . rr_1mv2 1
65 1 . . 1 1 9 9 U H1' H . . . 1 1 9 9 U H2' H . . . . . . 2.009 3.730 . . . . . A . 9 U H2' . . A . 9 U H1' . 1 . 9 U3' H2' . . . 1 . 9 U3' H1' . . rr_1mv2 1
66 1 . . 1 1 9 9 U H3' H . . . 1 1 9 9 U H1' H . . . . . . 2.496 4.635 . . . . . A . 9 U H3' . . A . 9 U H1' . 1 . 9 U3' H3' . . . 1 . 9 U3' H1' . . rr_1mv2 1
67 1 . . 1 1 8 8 C H6 H . . . 1 1 8 8 C H3' H . . . . . . 1.990 3.700 . . . . . A . 8 C H3' . . A . 8 C H6 . 1 . 8 C H3' . . . 1 . 8 C H6 . . rr_1mv2 1
68 1 . . 1 1 9 9 U H6 H . . . 1 1 8 8 C H3' H . . . . . . 1.980 3.670 . . . . . A . 8 C H3' . . A . 9 U H6 . 1 . 8 C H3' . . . 1 . 9 U3' H6 . . rr_1mv2 1
69 1 . . 1 1 8 8 C H1' H . . . 1 1 8 8 C H3' H . . . . . . 2.717 5.046 . . . . . A . 8 C H3' . . A . 8 C H1' . 1 . 8 C H3' . . . 1 . 8 C H1' . . rr_1mv2 1
70 1 . . 2 1 1 1 G H8 H . . . 2 1 1 1 G H1' H . . . . . . 2.559 4.753 . . . . . B . 1 G H8 . . B . 1 G H1' . B . 1 G5' H8 . . . B . 1 G5' H1' . . rr_1mv2 1
71 1 . . 2 1 1 1 G H1' H . . . 2 1 1 1 G H4' H . . . . . . 2.378 4.416 . . . . . B . 1 G H1' . . B . 1 G H4' . B . 1 G5' H1' . . . B . 1 G5' H4' . . rr_1mv2 1
72 1 . . 2 1 1 1 G H1' H . . . 2 1 2 2 G H8 H . . . . . . 2.821 5.240 . . . . . B . 1 G H1' . . B . 2 G H8 . B . 1 G5' H1' . . . B . 2 G H8 . . rr_1mv2 1
73 1 . . 2 1 1 1 G H1' H . . . 2 1 1 1 G H3' H . . . . . . 2.309 4.287 . . . . . B . 1 G H1' . . B . 1 G H3' . B . 1 G5' H1' . . . B . 1 G5' H3' . . rr_1mv2 1
74 1 . . 2 1 1 1 G H1' H . . . 2 1 1 1 G H2' H . . . . . . 1.887 3.504 . . . . . B . 1 G H2' . . B . 1 G H1' . B . 1 G5' H2' . . . B . 1 G5' H1' . . rr_1mv2 1
75 1 . . 2 1 1 1 G H3' H . . . 2 1 1 1 G H2' H . . . . . . 1.497 2.780 . . . . . B . 1 G H2' . . B . 1 G H3' . B . 1 G5' H2' . . . B . 1 G5' H3' . . rr_1mv2 1
76 1 . . 2 1 1 1 G H4' H . . . 2 1 1 1 G H2' H . . . . . . 2.559 4.753 . . . . . B . 1 G H2' . . B . 1 G H4' . B . 1 G5' H2' . . . B . 1 G5' H4' . . rr_1mv2 1
77 1 . . 2 1 1 1 G H8 H . . . 2 1 1 1 G H3' H . . . . . . 2.255 4.187 . . . . . B . 1 G H3' . . B . 1 G H8 . B . 1 G5' H3' . . . B . 1 G5' H8 . . rr_1mv2 1
78 1 . . 2 1 2 2 G H8 H . . . 2 1 1 1 G H2' H . . . . . . 1.661 3.085 . . . . . B . 2 G H8 . . B . 1 G H2' . B . 2 G H8 . . . B . 1 G5' H2' . . rr_1mv2 1
79 1 . . 2 1 2 2 G H8 H . . . 2 1 1 1 G H3' H . . . . . . 1.724 3.202 . . . . . B . 2 G H8 . . B . 1 G H3' . B . 2 G H8 . . . B . 1 G5' H3' . . rr_1mv2 1
80 1 . . 2 1 2 2 G H8 H . . . 2 1 2 2 G H1' H . . . . . . 2.802 5.204 . . . . . B . 2 G H8 . . B . 2 G H1' . B . 2 G H8 . . . B . 2 G H1' . . rr_1mv2 1
81 1 . . 2 1 1 1 G H2' H . . . 2 1 2 2 G H1' H . . . . . . 2.954 5.485 . . . . . B . 2 G H1' . . B . 1 G H2' . B . 2 G H1' . . . B . 1 G5' H2' . . rr_1mv2 1
82 1 . . 2 1 2 2 G H1' H . . . 2 1 3 3 C H5 H . . . . . . 3.211 5.964 . . . . . B . 2 G H1' . . B . 3 C H5 . B . 2 G H1' . . . B . 3 C H5 . . rr_1mv2 1
83 1 . . 2 1 2 2 G H1' H . . . 2 1 2 2 G H3' H . . . . . . 2.200 4.087 . . . . . B . 2 G H1' . . B . 2 G H3' . B . 2 G H1' . . . B . 2 G H3' . . rr_1mv2 1
84 1 . . 2 1 2 2 G H1' H . . . 2 1 2 2 G H2' H . . . . . . 2.040 3.789 . . . . . B . 2 G H2' . . B . 2 G H1' . B . 2 G H2' . . . B . 2 G H1' . . rr_1mv2 1
85 1 . . 2 1 3 3 C H5 H . . . 2 1 2 2 G H2' H . . . . . . 2.992 5.556 . . . . . B . 2 G H2' . . B . 3 C H5 . B . 2 G H2' . . . B . 3 C H5 . . rr_1mv2 1
86 1 . . 2 1 2 2 G H2' H . . . 2 1 3 3 C H6 H . . . . . . 1.727 3.208 . . . . . B . 2 G H2' . . B . 3 C H6 . B . 2 G H2' . . . B . 3 C H6 . . rr_1mv2 1
87 1 . . 2 1 2 2 G H2' H . . . 2 1 3 3 C H1' H . . . . . . 3.211 5.964 . . . . . B . 2 G H2' . . B . 3 C H1' . B . 2 G H2' . . . B . 3 C H1' . . rr_1mv2 1
88 1 . . 2 1 2 2 G H8 H . . . 2 1 3 3 C H5 H . . . . . . 2.776 5.156 . . . . . B . 3 C H5 . . B . 2 G H8 . B . 3 C H5 . . . B . 2 G H8 . . rr_1mv2 1
89 1 . . 2 1 3 3 C H5 H . . . 2 1 3 3 C H6 H . . . . . . 1.728 3.210 . . . . . B . 3 C H6 . . B . 3 C H5 . B . 3 C H6 . . . B . 3 C H5 . . rr_1mv2 1
90 1 . . 2 1 3 3 C H6 H . . . 2 1 3 3 C H1' H . . . . . . 2.560 4.754 . . . . . B . 3 C H6 . . B . 3 C H1' . B . 3 C H6 . . . B . 3 C H1' . . rr_1mv2 1
91 1 . . 2 1 3 3 C H6 H . . . 2 1 3 3 C H2' H . . . . . . 2.293 4.258 . . . . . B . 3 C H6 . . B . 3 C H2' . B . 3 C H6 . . . B . 3 C H2' . . rr_1mv2 1
92 1 . . 2 1 3 3 C H1' H . . . 2 1 3 3 C H3' H . . . . . . 2.171 4.032 . . . . . B . 3 C H1' . . B . 3 C H3' . B . 3 C H1' . . . B . 3 C H3' . . rr_1mv2 1
93 1 . . 2 1 3 3 C H1' H . . . 2 1 3 3 C H2' H . . . . . . 1.904 3.537 . . . . . B . 3 C H2' . . B . 3 C H1' . B . 3 C H2' . . . B . 3 C H1' . . rr_1mv2 1
94 1 . . 2 1 3 3 C H2' H . . . 2 1 4 4 A H1' H . . . . . . 2.354 4.371 . . . . . B . 3 C H2' . . B . 4 A H1' . B . 3 C H2' . . . B . 4 A H1' . . rr_1mv2 1
95 1 . . 2 1 3 3 C H6 H . . . 2 1 3 3 C H3' H . . . . . . 2.010 3.732 . . . . . B . 3 C H3' . . B . 3 C H6 . B . 3 C H3' . . . B . 3 C H6 . . rr_1mv2 1
96 1 . . 2 1 3 3 C H3' H . . . 2 1 4 4 A H8 H . . . . . . 2.048 3.803 . . . . . B . 3 C H3' . . B . 4 A H8 . B . 3 C H3' . . . B . 4 A H8 . . rr_1mv2 1
97 1 . . 2 1 3 3 C H2' H . . . 2 1 4 4 A H8 H . . . . . . 1.834 3.406 . . . . . B . 4 A H8 . . B . 3 C H2' . B . 4 A H8 . . . B . 3 C H2' . . rr_1mv2 1
98 1 . . 2 1 4 4 A H1' H . . . 2 1 4 4 A H8 H . . . . . . 2.875 5.339 . . . . . B . 4 A H8 . . B . 4 A H1' . B . 4 A H8 . . . B . 4 A H1' . . rr_1mv2 1
99 1 . . 2 1 4 4 A H8 H . . . 2 1 4 4 A H3' H . . . . . . 2.176 4.040 . . . . . B . 4 A H8 . . B . 4 A H3' . B . 4 A H8 . . . B . 4 A H3' . . rr_1mv2 1
100 1 . . 2 1 4 4 A H1' H . . . 2 1 4 4 A H2' H . . . . . . 1.826 3.391 . . . . . B . 4 A H1' . . B . 4 A H2' . B . 4 A H1' . . . B . 4 A H2' . . rr_1mv2 1
101 1 . . 2 1 4 4 A H1' H . . . 2 1 4 4 A H3' H . . . . . . 2.791 5.184 . . . . . B . 4 A H1' . . B . 4 A H3' . B . 4 A H1' . . . B . 4 A H3' . . rr_1mv2 1
102 1 . . 2 1 4 4 A H8 H . . . 2 1 4 4 A H2' H . . . . . . 2.414 4.483 . . . . . B . 4 A H2' . . B . 4 A H8 . B . 4 A H2' . . . B . 4 A H8 . . rr_1mv2 1
103 1 . . 2 1 5 5 P5P H2 H . . . 2 1 5 5 P5P H1' H . . . . . . 3.188 5.920 . . . . . B . 5 P5P H2 . . B . 5 P5P H1' . B . 5 PUR H2 . . . B . 5 PUR H1' . . rr_1mv2 1
104 1 . . 2 1 4 4 A H3' H . . . 2 1 5 5 P5P H8 H . . . . . . 2.550 4.736 . . . . . B . 5 P5P H8 . . B . 4 A H3' . B . 5 PUR H8 . . . B . 4 A H3' . . rr_1mv2 1
105 1 . . 2 1 5 5 P5P H8 H . . . 2 1 5 5 P5P H2' H . . . . . . 2.667 4.953 . . . . . B . 5 P5P H8 . . B . 5 P5P H2' . B . 5 PUR H8 . . . B . 5 PUR H2' . . rr_1mv2 1
106 1 . . 2 1 4 4 A H2' H . . . 2 1 5 5 P5P H8 H . . . . . . 2.023 3.757 . . . . . B . 5 P5P H8 . . B . 4 A H2' . B . 5 PUR H8 . . . B . 4 A H2' . . rr_1mv2 1
107 1 . . 2 1 5 5 P5P H1' H . . . 2 1 5 5 P5P H3' H . . . . . . 2.278 4.230 . . . . . B . 5 P5P H1' . . B . 5 P5P H3' . B . 5 PUR H1' . . . B . 5 PUR H3' . . rr_1mv2 1
108 1 . . 2 1 5 5 P5P H1' H . . . 2 1 4 4 A H2 H . . . . . . 2.897 5.380 . . . . . B . 5 P5P H1' . . B . 4 A H2 . B . 5 PUR H1' . . . B . 4 A H2 . . rr_1mv2 1
109 1 . . 2 1 5 5 P5P H1' H . . . 2 1 5 5 P5P H2' H . . . . . . 2.079 3.861 . . . . . B . 5 P5P H2' . . B . 5 P5P H1' . B . 5 PUR H2' . . . B . 5 PUR H1' . . rr_1mv2 1
110 1 . . 2 1 5 5 P5P H2' H . . . 2 1 6 6 G H8 H . . . . . . 1.842 3.422 . . . . . B . 5 P5P H2' . . B . 6 G H8 . B . 5 PUR H2' . . . B . 6 G H8 . . rr_1mv2 1
111 1 . . 2 1 6 6 G H8 H . . . 2 1 6 6 G H3' H . . . . . . 1.860 3.454 . . . . . B . 6 G H8 . . B . 6 G H3' . B . 6 G H8 . . . B . 6 G H3' . . rr_1mv2 1
112 1 . . 2 1 6 6 G H8 H . . . 2 1 6 6 G H1' H . . . . . . 2.958 5.494 . . . . . B . 6 G H1' . . B . 6 G H8 . B . 6 G H1' . . . B . 6 G H8 . . rr_1mv2 1
113 1 . . 2 1 6 6 G H1' H . . . 2 1 6 6 G H2' H . . . . . . 1.953 3.627 . . . . . B . 6 G H1' . . B . 6 G H2' . B . 6 G H1' . . . B . 6 G H2' . . rr_1mv2 1
114 1 . . 2 1 6 6 G H1' H . . . 2 1 7 7 C H6 H . . . . . . 2.797 5.194 . . . . . B . 6 G H1' . . B . 7 C H6 . B . 6 G H1' . . . B . 7 C H6 . . rr_1mv2 1
115 1 . . 2 1 6 6 G H2' H . . . 2 1 7 7 C H6 H . . . . . . 1.807 3.357 . . . . . B . 6 G H2' . . B . 7 C H6 . B . 6 G H2' . . . B . 7 C H6 . . rr_1mv2 1
116 1 . . 2 1 6 6 G H2' H . . . 2 1 7 7 C H5 H . . . . . . 2.635 4.893 . . . . . B . 6 G H2' . . B . 7 C H5 . B . 6 G H2' . . . B . 7 C H5 . . rr_1mv2 1
117 1 . . 2 1 7 7 C H5 H . . . 2 1 8 8 C H5 H . . . . . . 2.417 4.488 . . . . . B . 7 C H5 . . B . 8 C H5 . B . 7 C H5 . . . B . 8 C H5 . . rr_1mv2 1
118 1 . . 2 1 7 7 C H6 H . . . 2 1 7 7 C H5 H . . . . . . 1.772 3.291 . . . . . B . 7 C H6 . . B . 7 C H5 . B . 7 C H6 . . . B . 7 C H5 . . rr_1mv2 1
119 1 . . 2 1 7 7 C H6 H . . . 2 1 7 7 C H1' H . . . . . . 2.272 4.219 . . . . . B . 7 C H6 . . B . 7 C H1' . B . 7 C H6 . . . B . 7 C H1' . . rr_1mv2 1
120 1 . . 2 1 7 7 C H1' H . . . 2 1 7 7 C H2' H . . . . . . 1.907 3.541 . . . . . B . 7 C H2' . . B . 7 C H1' . B . 7 C H2' . . . B . 7 C H1' . . rr_1mv2 1
121 1 . . 2 1 8 8 C H5 H . . . 2 1 7 7 C H2' H . . . . . . 2.570 4.773 . . . . . B . 7 C H2' . . B . 8 C H5 . B . 7 C H2' . . . B . 8 C H5 . . rr_1mv2 1
122 1 . . 2 1 7 7 C H6 H . . . 2 1 7 7 C H3' H . . . . . . 1.913 3.552 . . . . . B . 7 C H3' . . B . 7 C H6 . B . 7 C H3' . . . B . 7 C H6 . . rr_1mv2 1
123 1 . . 2 1 7 7 C H1' H . . . 2 1 7 7 C H3' H . . . . . . 2.409 4.474 . . . . . B . 7 C H3' . . B . 7 C H1' . B . 7 C H3' . . . B . 7 C H1' . . rr_1mv2 1
124 1 . . 2 1 7 7 C H2' H . . . 2 1 8 8 C H6 H . . . . . . 1.598 2.968 . . . . . B . 8 C H6 . . B . 7 C H2' . B . 8 C H6 . . . B . 7 C H2' . . rr_1mv2 1
125 1 . . 2 1 8 8 C H5 H . . . 2 1 8 8 C H6 H . . . . . . 1.710 3.175 . . . . . B . 8 C H6 . . B . 8 C H5 . B . 8 C H6 . . . B . 8 C H5 . . rr_1mv2 1
126 1 . . 2 1 8 8 C H6 H . . . 2 1 8 8 C H1' H . . . . . . 2.658 4.936 . . . . . B . 8 C H1' . . B . 8 C H6 . B . 8 C H1' . . . B . 8 C H6 . . rr_1mv2 1
127 1 . . 2 1 8 8 C H1' H . . . 2 1 8 8 C H2' H . . . . . . 1.811 3.364 . . . . . B . 8 C H2' . . B . 8 C H1' . B . 8 C H2' . . . B . 8 C H1' . . rr_1mv2 1
128 1 . . 2 1 8 8 C H2' H . . . 2 1 9 9 U H5 H . . . . . . 2.232 4.145 . . . . . B . 9 U H5 . . B . 8 C H2' . B . 9 U3' H5 . . . B . 8 C H2' . . rr_1mv2 1
129 1 . . 2 1 8 8 C H2' H . . . 2 1 9 9 U H6 H . . . . . . 1.752 3.254 . . . . . B . 9 U H6 . . B . 8 C H2' . B . 9 U3' H6 . . . B . 8 C H2' . . rr_1mv2 1
130 1 . . 2 1 9 9 U H5 H . . . 2 1 9 9 U H6 H . . . . . . 1.743 3.236 . . . . . B . 9 U H6 . . B . 9 U H5 . B . 9 U3' H6 . . . B . 9 U3' H5 . . rr_1mv2 1
131 1 . . 2 1 9 9 U H6 H . . . 2 1 9 9 U H3' H . . . . . . 1.802 3.347 . . . . . B . 9 U H6 . . B . 9 U H3' . B . 9 U3' H6 . . . B . 9 U3' H3' . . rr_1mv2 1
132 1 . . 2 1 9 9 U H6 H . . . 2 1 9 9 U H1' H . . . . . . 3.136 5.824 . . . . . B . 9 U H1' . . B . 9 U H6 . B . 9 U3' H1' . . . B . 9 U3' H6 . . rr_1mv2 1
133 1 . . 2 1 9 9 U H6 H . . . 2 1 9 9 U H2' H . . . . . . 2.404 4.464 . . . . . B . 9 U H2' . . B . 9 U H6 . B . 9 U3' H2' . . . B . 9 U3' H6 . . rr_1mv2 1
134 1 . . 2 1 9 9 U H1' H . . . 2 1 9 9 U H2' H . . . . . . 2.009 3.730 . . . . . B . 9 U H2' . . B . 9 U H1' . B . 9 U3' H2' . . . B . 9 U3' H1' . . rr_1mv2 1
135 1 . . 2 1 9 9 U H3' H . . . 2 1 9 9 U H1' H . . . . . . 2.496 4.635 . . . . . B . 9 U H3' . . B . 9 U H1' . B . 9 U3' H3' . . . B . 9 U3' H1' . . rr_1mv2 1
136 1 . . 2 1 8 8 C H6 H . . . 2 1 8 8 C H3' H . . . . . . 1.990 3.700 . . . . . B . 8 C H3' . . B . 8 C H6 . B . 8 C H3' . . . B . 8 C H6 . . rr_1mv2 1
137 1 . . 2 1 9 9 U H6 H . . . 2 1 8 8 C H3' H . . . . . . 1.980 3.670 . . . . . B . 8 C H3' . . B . 9 U H6 . B . 8 C H3' . . . B . 9 U3' H6 . . rr_1mv2 1
138 1 . . 2 1 8 8 C H1' H . . . 2 1 8 8 C H3' H . . . . . . 2.717 5.046 . . . . . B . 8 C H3' . . B . 8 C H1' . B . 8 C H3' . . . B . 8 C H1' . . rr_1mv2 1
139 1 . . 1 1 5 5 P5P H2 H . . . 2 1 4 4 A H2 H . . . . . . 3.207 5.955 . . . . . A . 5 P5P H2 . . B . 4 A H2 . 1 . 5 PUR H2 . . . B . 4 A H2 . . rr_1mv2 1
140 1 . . 1 1 4 4 A H2 H . . . 2 1 5 5 P5P H2 H . . . . . . 3.207 5.955 . . . . . B . 5 P5P H2 . . A . 4 A H2 . B . 5 PUR H2 . . . 1 . 4 A H2 . . rr_1mv2 1
141 1 . . 2 1 4 4 A H2 H . . . 1 1 5 5 P5P H6 H . . . . . . 2.632 4.888 . . . . . A . 5 P5P H6 . . B . 4 A H2 . 1 . 5 PUR H6 . . . B . 4 A H2 . . rr_1mv2 1
142 1 . . 1 1 4 4 A H2 H . . . 2 1 5 5 P5P H6 H . . . . . . 2.632 4.888 . . . . . B . 5 P5P H6 . . A . 4 A H2 . B . 5 PUR H6 . . . 1 . 4 A H2 . . rr_1mv2 1
stop_
loop_
_Gen_dist_constraint_comment_org.ID
_Gen_dist_constraint_comment_org.Comment_text
_Gen_dist_constraint_comment_org.Comment_begin_line
_Gen_dist_constraint_comment_org.Comment_begin_column
_Gen_dist_constraint_comment_org.Comment_end_line
_Gen_dist_constraint_comment_org.Comment_end_column
_Gen_dist_constraint_comment_org.Entry_ID
_Gen_dist_constraint_comment_org.Gen_dist_constraint_list_ID
1 "strand 1: distance" 1 1 4 1 rr_1mv2 1
2 "3.656 0.30/0.30:" 5 82 5 101 rr_1mv2 1
3 "3.397 0.30/0.30:" 6 82 6 101 rr_1mv2 1
4 "4.031 0.30/0.30:" 7 82 7 101 rr_1mv2 1
5 "3.298 0.30/0.30:" 8 82 8 101 rr_1mv2 1
6 "2.695 0.30/0.30:" 9 82 9 101 rr_1mv2 1
7 "2.139 0.30/0.30:" 10 82 10 101 rr_1mv2 1
8 "3.656 0.30/0.30:" 11 82 11 101 rr_1mv2 1
9 "3.221 0.30/0.30:" 12 82 12 101 rr_1mv2 1
10 "2.373 0.30/0.30:" 13 82 13 101 rr_1mv2 1
11 "2.463 0.30/0.30:" 14 82 14 101 rr_1mv2 1
12 "4.003 0.30/0.30:" 15 82 15 101 rr_1mv2 1
13 "4.220 0.30/0.30:" 16 82 16 101 rr_1mv2 1
14 "4.588 0.30/0.30:" 17 82 17 101 rr_1mv2 1
15 "3.143 0.30/0.30:" 18 82 18 101 rr_1mv2 1
16 "2.915 0.30/0.30:" 19 82 19 101 rr_1mv2 1
17 "4.274 0.30/0.30:" 20 82 20 101 rr_1mv2 1
18 "2.468 0.30/0.30:" 21 82 21 101 rr_1mv2 1
19 "4.587 0.30/0.30:" 22 82 22 101 rr_1mv2 1
20 "3.966 0.30/0.30:" 23 82 23 101 rr_1mv2 1
21 "2.469 0.30/0.30:" 24 82 24 101 rr_1mv2 1
22 "3.657 0.30/0.30:" 25 82 25 101 rr_1mv2 1
23 "3.275 0.30/0.30:" 26 82 26 101 rr_1mv2 1
24
;3.102 0.30/0.30:
1:C_3:H1' 1:A_4:H8 3.277 6.000 25.000 25.000 1000.000 ! 4.682 0.30/0.30:
;
27 82 28 92 rr_1mv2 1
25 "2.720 0.30/0.30:" 29 82 29 101 rr_1mv2 1
26 "3.362 0.30/0.30:" 30 82 30 101 rr_1mv2 1
27 "2.871 0.30/0.30:" 31 82 31 101 rr_1mv2 1
28 "2.926 0.30/0.30:" 32 82 32 101 rr_1mv2 1
29 "2.620 0.30/0.30:" 33 82 33 101 rr_1mv2 1
30 "4.107 0.30/0.30:" 34 82 34 101 rr_1mv2 1
31 "3.108 0.30/0.30:" 35 82 35 101 rr_1mv2 1
32 "2.608 0.30/0.30:" 36 82 36 101 rr_1mv2 1
33 "3.987 0.30/0.30:" 37 82 37 101 rr_1mv2 1
34 "3.449 0.30/0.30:" 38 82 38 101 rr_1mv2 1
35
;4.554 0.30/0.30:
Is this a cross-strand or intrastrand???
1:PUR_5:H2 1:A_4:H2 3.310 6.000 25.000 25.000 1000.000 ! 4.728 0.30/0.30:
Is this a cross-strand or intrastrand???
1:PUR_5:H6 1:A_4:H2 2.649 4.919 25.000 25.000 1000.000 ! 3.784 0.30/0.30:
;
39 82 43 102 rr_1mv2 1
36
;3.643 0.30/0.30:
1:PUR_5:H8 1:PUR_5:H1' 3.324 6.000 25.000 25.000 1000.000 ! 4.748 0.30/0.30:
;
44 82 45 102 rr_1mv2 1
37 "3.810 0.30/0.30:" 46 82 46 101 rr_1mv2 1
38 "2.890 0.30/0.30:" 47 82 47 101 rr_1mv2 1
39 "3.254 0.30/0.30:" 48 82 48 101 rr_1mv2 1
40 "4.138 0.30/0.30:" 49 82 49 101 rr_1mv2 1
41 "2.970 0.30/0.30:" 50 82 50 101 rr_1mv2 1
42
;2.632 0.30/0.30:
1:G_6:H8 1:PUR_5:H1' 3.735 6.000 25.000 25.000 1000.000 ! 5.335 0.30/0.30:
;
51 82 52 102 rr_1mv2 1
43 "2.657 0.30/0.30:" 53 82 53 101 rr_1mv2 1
44 "4.226 0.30/0.30:" 54 82 54 101 rr_1mv2 1
45 "2.790 0.30/0.30:" 55 82 55 101 rr_1mv2 1
46 "3.995 0.30/0.30:" 56 82 56 101 rr_1mv2 1
47 "2.582 0.30/0.30:" 57 82 57 101 rr_1mv2 1
48 "3.764 0.30/0.30:" 58 82 58 101 rr_1mv2 1
49 "3.452 0.30/0.30:" 59 82 59 101 rr_1mv2 1
50 "2.531 0.30/0.30:" 60 82 60 101 rr_1mv2 1
51 "3.246 0.30/0.30:" 61 82 61 101 rr_1mv2 1
52 "2.724 0.30/0.30:" 62 82 62 101 rr_1mv2 1
53 "3.671 0.30/0.30:" 63 82 63 101 rr_1mv2 1
54 "2.732 0.30/0.30:" 64 82 64 101 rr_1mv2 1
55 "3.441 0.30/0.30:" 65 82 65 101 rr_1mv2 1
56 "2.283 0.30/0.30:" 66 82 66 101 rr_1mv2 1
57 "2.443 0.30/0.30:" 67 82 67 101 rr_1mv2 1
58 "3.797 0.30/0.30:" 68 82 68 101 rr_1mv2 1
59 "2.587 0.30/0.30:" 69 82 69 101 rr_1mv2 1
60 "3.188 0.30/0.30:" 70 82 70 101 rr_1mv2 1
61 "2.503 0.30/0.30:" 71 82 71 101 rr_1mv2 1
62 "2.489 0.30/0.30:" 72 82 72 101 rr_1mv2 1
63 "2.575 0.30/0.30:" 73 82 73 101 rr_1mv2 1
64 "4.480 0.30/0.30:" 74 82 74 101 rr_1mv2 1
65 "3.434 0.30/0.30:" 75 82 75 101 rr_1mv2 1
66 "2.869 0.30/0.30:" 76 82 76 101 rr_1mv2 1
67 "3.565 0.30/0.30:" 77 82 77 101 rr_1mv2 1
68 "2.850 0.30/0.30:" 78 82 78 101 rr_1mv2 1
69 "2.830 0.30/0.30:" 79 82 79 101 rr_1mv2 1
70 "3.882 0.30/0.30: *************************************************** strand 2:" 80 82 85 1 rr_1mv2 1
71 "3.656 0.30/0.30:" 86 75 86 94 rr_1mv2 1
72 "3.397 0.30/0.30:" 87 75 87 94 rr_1mv2 1
73 "4.031 0.30/0.30:" 88 71 88 90 rr_1mv2 1
74 "3.298 0.30/0.30:" 89 75 89 94 rr_1mv2 1
75 "2.695 0.30/0.30:" 90 75 90 94 rr_1mv2 1
76 "2.139 0.30/0.30:" 91 75 91 94 rr_1mv2 1
77 "3.656 0.30/0.30:" 92 75 92 94 rr_1mv2 1
78 "3.221 0.30/0.30:" 93 73 93 92 rr_1mv2 1
79 "2.373 0.30/0.30:" 94 75 94 94 rr_1mv2 1
80 "2.463 0.30/0.30:" 95 75 95 94 rr_1mv2 1
81 "4.003 0.30/0.30:" 96 72 96 91 rr_1mv2 1
82 "4.220 0.30/0.30:" 97 75 97 94 rr_1mv2 1
83 "4.588 0.30/0.30:" 98 71 98 90 rr_1mv2 1
84 "3.143 0.30/0.30:" 99 72 99 91 rr_1mv2 1
85 "2.915 0.30/0.30:" 100 72 100 91 rr_1mv2 1
86 "4.274 0.30/0.30:" 101 71 101 90 rr_1mv2 1
87 "2.468 0.30/0.30:" 102 71 102 90 rr_1mv2 1
88 "4.587 0.30/0.30:" 103 72 103 91 rr_1mv2 1
89 "3.966 0.30/0.30:" 104 71 104 90 rr_1mv2 1
90 "2.469 0.30/0.30:" 105 71 105 90 rr_1mv2 1
91 "3.657 0.30/0.30:" 106 72 106 91 rr_1mv2 1
92 "3.275 0.30/0.30:" 107 72 107 91 rr_1mv2 1
93
;3.102 0.30/0.30:
1:C_3B:H1' 1:A_4B:H8 3.277 6.000 25.000 25.000 1000.000 ! 4.682 0.30/0.30:
;
108 72 109 93 rr_1mv2 1
94 "2.720 0.30/0.30:" 110 72 110 91 rr_1mv2 1
95 "3.362 0.30/0.30:" 111 72 111 91 rr_1mv2 1
96 "2.871 0.30/0.30:" 112 71 112 90 rr_1mv2 1
97 "2.926 0.30/0.30:" 113 71 113 90 rr_1mv2 1
98 "2.620 0.30/0.30:" 114 72 114 91 rr_1mv2 1
99 "4.107 0.30/0.30:" 115 72 115 91 rr_1mv2 1
100 "3.108 0.30/0.30:" 116 72 116 91 rr_1mv2 1
101 "2.608 0.30/0.30:" 117 72 117 91 rr_1mv2 1
102 "3.987 0.30/0.30:" 118 72 118 91 rr_1mv2 1
103 "3.449 0.30/0.30:" 119 71 119 90 rr_1mv2 1
104
;4.554 0.30/0.30:
Is this a cross-srand or intrasttrand???
1:PUR_5B:H2 1:A_4B:H2 3.310 6.000 25.000 25.000 1000.000 ! 4.728 0.30/0.30:
Is this a cross-srand or intrasttrand???
1:PUR_5B:H6 1:A_4B:H2 2.649 4.919 25.000 25.000 1000.000 ! 3.784 0.30/0.30:
;
120 75 124 96 rr_1mv2 1
105
;3.643 0.30/0.30:
1:PUR_5B:H8 1:PUR_5B:H1' 3.324 6.000 25.000 25.000 1000.000 ! 4.748 0.30/0.30:
;
125 72 126 104 rr_1mv2 1
106 "3.810 0.30/0.30:" 127 75 127 94 rr_1mv2 1
107 "2.890 0.30/0.30:" 128 81 128 100 rr_1mv2 1
108 "3.254 0.30/0.30:" 129 75 129 94 rr_1mv2 1
109 "4.138 0.30/0.30:" 130 71 130 90 rr_1mv2 1
110 "2.970 0.30/0.30:" 131 75 131 94 rr_1mv2 1
111
;2.632 0.30/0.30:
1:G_6B:H8 1:PUR_5B:H1' 3.735 6.000 25.000 25.000 1000.000 ! 5.335 0.30/0.30:
;
132 71 133 104 rr_1mv2 1
112 "2.657 0.30/0.30:" 134 72 134 91 rr_1mv2 1
113 "4.226 0.30/0.30:" 135 71 135 90 rr_1mv2 1
114 "2.790 0.30/0.30:" 136 72 136 91 rr_1mv2 1
115 "3.995 0.30/0.30:" 137 71 137 90 rr_1mv2 1
116 "2.582 0.30/0.30:" 138 71 138 90 rr_1mv2 1
117 "3.764 0.30/0.30:" 139 71 139 90 rr_1mv2 1
118 "3.452 0.30/0.30:" 140 71 140 90 rr_1mv2 1
119 "2.531 0.30/0.30:" 141 71 141 90 rr_1mv2 1
120 "3.246 0.30/0.30:" 142 72 142 91 rr_1mv2 1
121 "2.724 0.30/0.30:" 143 72 143 91 rr_1mv2 1
122 "3.671 0.30/0.30:" 144 71 144 90 rr_1mv2 1
123 "2.732 0.30/0.30:" 145 71 145 90 rr_1mv2 1
124 "3.441 0.30/0.30:" 146 72 146 91 rr_1mv2 1
125 "2.283 0.30/0.30:" 147 72 147 91 rr_1mv2 1
126 "2.443 0.30/0.30:" 148 71 148 90 rr_1mv2 1
127 "3.797 0.30/0.30:" 149 71 149 90 rr_1mv2 1
128 "3.882 0.30/0.30:" 150 72 150 91 rr_1mv2 1
129 "3.188 0.30/0.30:" 151 82 151 101 rr_1mv2 1
130 "2.503 0.30/0.30:" 152 82 152 101 rr_1mv2 1
131 "2.489 0.30/0.30:" 153 82 153 101 rr_1mv2 1
132 "2.575 0.30/0.30:" 154 82 154 101 rr_1mv2 1
133 "4.480 0.30/0.30:" 155 82 155 101 rr_1mv2 1
134 "3.434 0.30/0.30:" 156 82 156 101 rr_1mv2 1
135 "2.869 0.30/0.30:" 157 82 157 101 rr_1mv2 1
136 "3.565 0.30/0.30:" 158 82 158 101 rr_1mv2 1
137 "2.850 0.30/0.30:" 159 82 159 101 rr_1mv2 1
138 "2.830 0.30/0.30:" 160 82 160 101 rr_1mv2 1
139
;3.882 0.30/0.30:
**********************************************
cross-strand
;
161 82 163 13 rr_1mv2 1
140 "4.581 0.30/0.30:" 164 82 164 101 rr_1mv2 1
141 "4.581 0.30/0.30:" 165 82 165 101 rr_1mv2 1
142 "3.759 0.30/0.30:" 166 75 166 94 rr_1mv2 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_1mv2
_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_1mv2 2
stop_
loop_
_Gen_dist_constraint.ID
_Gen_dist_constraint.Member_ID
_Gen_dist_constraint.Member_logic_code
_Gen_dist_constraint.Assembly_atom_ID_1
_Gen_dist_constraint.Entity_assembly_ID_1
_Gen_dist_constraint.Entity_ID_1
_Gen_dist_constraint.Comp_index_ID_1
_Gen_dist_constraint.Seq_ID_1
_Gen_dist_constraint.Comp_ID_1
_Gen_dist_constraint.Atom_ID_1
_Gen_dist_constraint.Atom_type_1
_Gen_dist_constraint.Atom_isotope_number_1
_Gen_dist_constraint.Resonance_ID_1
_Gen_dist_constraint.Assembly_atom_ID_2
_Gen_dist_constraint.Entity_assembly_ID_2
_Gen_dist_constraint.Entity_ID_2
_Gen_dist_constraint.Comp_index_ID_2
_Gen_dist_constraint.Seq_ID_2
_Gen_dist_constraint.Comp_ID_2
_Gen_dist_constraint.Atom_ID_2
_Gen_dist_constraint.Atom_type_2
_Gen_dist_constraint.Atom_isotope_number_2
_Gen_dist_constraint.Resonance_ID_2
_Gen_dist_constraint.Intensity_val
_Gen_dist_constraint.Intensity_lower_val_err
_Gen_dist_constraint.Intensity_upper_val_err
_Gen_dist_constraint.Distance_val
_Gen_dist_constraint.Distance_lower_bound_val
_Gen_dist_constraint.Distance_upper_bound_val
_Gen_dist_constraint.Contribution_fractional_val
_Gen_dist_constraint.Spectral_peak_ID
_Gen_dist_constraint.Spectral_peak_list_ID
_Gen_dist_constraint.PDB_record_ID_1
_Gen_dist_constraint.PDB_model_num_1
_Gen_dist_constraint.PDB_strand_ID_1
_Gen_dist_constraint.PDB_ins_code_1
_Gen_dist_constraint.PDB_residue_no_1
_Gen_dist_constraint.PDB_residue_name_1
_Gen_dist_constraint.PDB_atom_name_1
_Gen_dist_constraint.PDB_record_ID_2
_Gen_dist_constraint.PDB_model_num_2
_Gen_dist_constraint.PDB_strand_ID_2
_Gen_dist_constraint.PDB_ins_code_2
_Gen_dist_constraint.PDB_residue_no_2
_Gen_dist_constraint.PDB_residue_name_2
_Gen_dist_constraint.PDB_atom_name_2
_Gen_dist_constraint.Auth_entity_assembly_ID_1
_Gen_dist_constraint.Auth_asym_ID_1
_Gen_dist_constraint.Auth_chain_ID_1
_Gen_dist_constraint.Auth_seq_ID_1
_Gen_dist_constraint.Auth_comp_ID_1
_Gen_dist_constraint.Auth_atom_ID_1
_Gen_dist_constraint.Auth_alt_ID_1
_Gen_dist_constraint.Auth_atom_name_1
_Gen_dist_constraint.Auth_entity_assembly_ID_2
_Gen_dist_constraint.Auth_asym_ID_2
_Gen_dist_constraint.Auth_chain_ID_2
_Gen_dist_constraint.Auth_seq_ID_2
_Gen_dist_constraint.Auth_comp_ID_2
_Gen_dist_constraint.Auth_atom_ID_2
_Gen_dist_constraint.Auth_alt_ID_2
_Gen_dist_constraint.Auth_atom_name_2
_Gen_dist_constraint.Entry_ID
_Gen_dist_constraint.Gen_dist_constraint_list_ID
1 1 . . 1 1 1 1 G H1 H . . . 2 1 8 8 C N3 N . . . . . . 1.8 2.5 . . . . . A . 1 G H1 . . B . 8 C N3 . 1 . 1 G5' H1 . . . B . 8 C N3 . . rr_1mv2 2
2 1 . . 1 1 1 1 G O6 O . . . 2 1 8 8 C H42 H . . . . . . 1.8 2.5 . . . . . A . 1 G O6 . . B . 8 C H42 . 1 . 1 G5' O6 . . . B . 8 C H42 . . rr_1mv2 2
3 1 . . 1 1 1 1 G H22 H . . . 2 1 8 8 C O2 O . . . . . . 1.8 2.5 . . . . . A . 1 G H22 . . B . 8 C O2 . 1 . 1 G5' H22 . . . B . 8 C O2 . . rr_1mv2 2
4 1 . . 1 1 2 2 G H1 H . . . 2 1 7 7 C N3 N . . . . . . 1.8 2.5 . . . . . A . 2 G H1 . . B . 7 C N3 . 1 . 2 G H1 . . . B . 7 C N3 . . rr_1mv2 2
5 1 . . 1 1 2 2 G O6 O . . . 2 1 7 7 C H42 H . . . . . . 1.8 2.5 . . . . . A . 2 G O6 . . B . 7 C H42 . 1 . 2 G O6 . . . B . 7 C H42 . . rr_1mv2 2
6 1 . . 1 1 2 2 G H22 H . . . 2 1 7 7 C O2 O . . . . . . 1.8 2.5 . . . . . A . 2 G H22 . . B . 7 C O2 . 1 . 2 G H22 . . . B . 7 C O2 . . rr_1mv2 2
7 1 . . 1 1 3 3 C N3 N . . . 2 1 6 6 G H1 H . . . . . . 1.8 2.5 . . . . . A . 3 C N3 . . B . 6 G H1 . 1 . 3 C N3 . . . B . 6 G H1 . . rr_1mv2 2
8 1 . . 1 1 3 3 C H42 H . . . 2 1 6 6 G O6 O . . . . . . 1.8 2.5 . . . . . A . 3 C H42 . . B . 6 G O6 . 1 . 3 C H42 . . . B . 6 G O6 . . rr_1mv2 2
9 1 . . 1 1 3 3 C O2 O . . . 2 1 6 6 G H22 H . . . . . . 1.8 2.5 . . . . . A . 3 C O2 . . B . 6 G H22 . 1 . 3 C O2 . . . B . 6 G H22 . . rr_1mv2 2
10 1 . . 1 1 6 6 G H1 H . . . 2 1 3 3 C N3 N . . . . . . 1.8 2.5 . . . . . A . 6 G H1 . . B . 3 C N3 . 1 . 6 G H1 . . . B . 3 C N3 . . rr_1mv2 2
11 1 . . 1 1 6 6 G O6 O . . . 2 1 3 3 C H42 H . . . . . . 1.8 2.5 . . . . . A . 6 G O6 . . B . 3 C H42 . 1 . 6 G O6 . . . B . 3 C H42 . . rr_1mv2 2
12 1 . . 1 1 6 6 G H22 H . . . 2 1 3 3 C O2 O . . . . . . 1.8 2.5 . . . . . A . 6 G H22 . . B . 3 C O2 . 1 . 6 G H22 . . . B . 3 C O2 . . rr_1mv2 2
13 1 . . 1 1 7 7 C N3 N . . . 2 1 2 2 G H1 H . . . . . . 1.8 2.5 . . . . . A . 7 C N3 . . B . 2 G H1 . 1 . 7 C N3 . . . B . 2 G H1 . . rr_1mv2 2
14 1 . . 1 1 7 7 C H42 H . . . 2 1 2 2 G O6 O . . . . . . 1.8 2.5 . . . . . A . 7 C H42 . . B . 2 G O6 . 1 . 7 C H42 . . . B . 2 G O6 . . rr_1mv2 2
15 1 . . 1 1 7 7 C O2 O . . . 2 1 2 2 G H22 H . . . . . . 1.8 2.5 . . . . . A . 7 C O2 . . B . 2 G H22 . 1 . 7 C O2 . . . B . 2 G H22 . . rr_1mv2 2
16 1 . . 1 1 8 8 C N3 N . . . 2 1 1 1 G H1 H . . . . . . 1.8 2.5 . . . . . A . 8 C N3 . . B . 1 G H1 . 1 . 8 C N3 . . . B . 1 G5' H1 . . rr_1mv2 2
17 1 . . 1 1 8 8 C H42 H . . . 2 1 1 1 G O6 O . . . . . . 1.8 2.5 . . . . . A . 8 C H42 . . B . 1 G O6 . 1 . 8 C H42 . . . B . 1 G5' O6 . . rr_1mv2 2
18 1 . . 1 1 8 8 C O2 O . . . 2 1 1 1 G H22 H . . . . . . 1.8 2.5 . . . . . A . 8 C O2 . . B . 1 G H22 . 1 . 8 C O2 . . . B . 1 G5' H22 . . rr_1mv2 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
;BIOSYM restraint 1 The format and some of the numbers in this file were taken from MEB's
G7syn.rstrnt file. Any numbers taken from MEB's file will be noted. distance HYDROGEN-BONDING DISTANCES (based on theoretical # and taken from MEB)
;
1 1 10 1 rr_1mv2 2
2 Hbond 11 87 11 92 rr_1mv2 2
3 Hbond 12 87 12 92 rr_1mv2 2
4 Hbond 13 87 13 92 rr_1mv2 2
5 Hbond 14 87 14 92 rr_1mv2 2
6 Hbond 15 87 15 92 rr_1mv2 2
7 Hbond 16 87 16 92 rr_1mv2 2
8 Hbond 17 87 17 92 rr_1mv2 2
9 Hbond 18 87 18 92 rr_1mv2 2
10 Hbond 19 87 19 92 rr_1mv2 2
11 Hbond 20 87 20 92 rr_1mv2 2
12 Hbond 21 87 21 92 rr_1mv2 2
13 Hbond 22 87 22 92 rr_1mv2 2
14 Hbond 23 87 23 92 rr_1mv2 2
15 Hbond 24 87 24 92 rr_1mv2 2
16 Hbond 25 87 25 92 rr_1mv2 2
17 Hbond 26 87 26 92 rr_1mv2 2
18 Hbond 27 87 27 92 rr_1mv2 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_1mv2
_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_1mv2 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_1mv2 1
2 1 . . . rr_1mv2 1
3 1 . . . rr_1mv2 1
4 1 . . . rr_1mv2 1
5 1 . . . rr_1mv2 1
6 1 . . . rr_1mv2 1
7 1 . . . rr_1mv2 1
8 1 . . . rr_1mv2 1
9 1 . . . rr_1mv2 1
10 1 . . . rr_1mv2 1
11 1 . . . rr_1mv2 1
12 1 . . . rr_1mv2 1
13 1 . . . rr_1mv2 1
14 1 . . . rr_1mv2 1
15 1 . . . rr_1mv2 1
16 1 . . . rr_1mv2 1
17 1 . . . rr_1mv2 1
18 1 . . . rr_1mv2 1
19 1 . . . rr_1mv2 1
20 1 . . . rr_1mv2 1
21 1 . . . rr_1mv2 1
22 1 . . . rr_1mv2 1
23 1 . . . rr_1mv2 1
24 1 . . . rr_1mv2 1
25 1 . . . rr_1mv2 1
26 1 . . . rr_1mv2 1
27 1 . . . rr_1mv2 1
28 1 . . . rr_1mv2 1
29 1 . . . rr_1mv2 1
30 1 . . . rr_1mv2 1
31 1 . . . rr_1mv2 1
32 1 . . . rr_1mv2 1
33 1 . . . rr_1mv2 1
34 1 . . . rr_1mv2 1
35 1 . . . rr_1mv2 1
36 1 . . . rr_1mv2 1
37 1 . . . rr_1mv2 1
38 1 . . . rr_1mv2 1
39 1 . . . rr_1mv2 1
40 1 . . . rr_1mv2 1
41 1 . . . rr_1mv2 1
42 1 . . . rr_1mv2 1
43 1 . . . rr_1mv2 1
44 1 . . . rr_1mv2 1
45 1 . . . rr_1mv2 1
46 1 . . . rr_1mv2 1
47 1 . . . rr_1mv2 1
48 1 . . . rr_1mv2 1
49 1 . . . rr_1mv2 1
50 1 . . . rr_1mv2 1
51 1 . . . rr_1mv2 1
52 1 . . . rr_1mv2 1
53 1 . . . rr_1mv2 1
54 1 . . . rr_1mv2 1
55 1 . . . rr_1mv2 1
56 1 . . . rr_1mv2 1
57 1 . . . rr_1mv2 1
58 1 . . . rr_1mv2 1
59 1 . . . rr_1mv2 1
60 1 . . . rr_1mv2 1
61 1 . . . rr_1mv2 1
62 1 . . . rr_1mv2 1
63 1 . . . rr_1mv2 1
64 1 . . . rr_1mv2 1
65 1 . . . rr_1mv2 1
66 1 . . . rr_1mv2 1
67 1 . . . rr_1mv2 1
68 1 . . . rr_1mv2 1
69 1 . . . rr_1mv2 1
70 1 . . . rr_1mv2 1
71 1 . . . rr_1mv2 1
72 1 . . . rr_1mv2 1
73 1 . . . rr_1mv2 1
74 1 . . . rr_1mv2 1
75 1 . . . rr_1mv2 1
76 1 . . . rr_1mv2 1
77 1 . . . rr_1mv2 1
78 1 . . . rr_1mv2 1
79 1 . . . rr_1mv2 1
80 1 . . . rr_1mv2 1
81 1 . . . rr_1mv2 1
82 1 . . . rr_1mv2 1
83 1 . . . rr_1mv2 1
84 1 . . . rr_1mv2 1
85 1 . . . rr_1mv2 1
86 1 . . . rr_1mv2 1
87 1 . . . rr_1mv2 1
88 1 . . . rr_1mv2 1
89 1 . . . rr_1mv2 1
90 1 . . . rr_1mv2 1
91 1 . . . rr_1mv2 1
92 1 . . . rr_1mv2 1
93 1 . . . rr_1mv2 1
94 1 . . . rr_1mv2 1
95 1 . . . rr_1mv2 1
96 1 . . . rr_1mv2 1
97 1 . . . rr_1mv2 1
98 1 . . . rr_1mv2 1
99 1 . . . rr_1mv2 1
100 1 . . . rr_1mv2 1
101 1 . . . rr_1mv2 1
102 1 . . . rr_1mv2 1
103 1 . . . rr_1mv2 1
104 1 . . . rr_1mv2 1
105 1 . . . rr_1mv2 1
106 1 . . . rr_1mv2 1
107 1 . . . rr_1mv2 1
108 1 . . . rr_1mv2 1
109 1 . . . rr_1mv2 1
110 1 . . . rr_1mv2 1
111 1 . . . rr_1mv2 1
112 1 . . . rr_1mv2 1
113 1 . . . rr_1mv2 1
114 1 . . . rr_1mv2 1
115 1 . . . rr_1mv2 1
116 1 . . . rr_1mv2 1
117 1 . . . rr_1mv2 1
118 1 . . . rr_1mv2 1
119 1 . . . rr_1mv2 1
120 1 . . . rr_1mv2 1
121 1 . . . rr_1mv2 1
122 1 . . . rr_1mv2 1
123 1 . . . rr_1mv2 1
124 1 . . . rr_1mv2 1
125 1 . . . rr_1mv2 1
126 1 . . . rr_1mv2 1
127 1 . . . rr_1mv2 1
128 1 . . . rr_1mv2 1
129 1 . . . rr_1mv2 1
130 1 . . . rr_1mv2 1
131 1 . . . rr_1mv2 1
132 1 . . . rr_1mv2 1
133 1 . . . rr_1mv2 1
134 1 . . . rr_1mv2 1
135 1 . . . rr_1mv2 1
136 1 . . . rr_1mv2 1
137 1 . . . rr_1mv2 1
138 1 . . . rr_1mv2 1
139 1 . . . rr_1mv2 1
140 1 . . . rr_1mv2 1
141 1 . . . rr_1mv2 1
142 1 . . . rr_1mv2 1
stop_
loop_
_Dist_constraint.Tree_node_member_constraint_ID
_Dist_constraint.Tree_node_member_node_ID
_Dist_constraint.Contribution_fractional_val
_Dist_constraint.Constraint_tree_node_member_ID
_Dist_constraint.Assembly_atom_ID
_Dist_constraint.Entity_assembly_ID
_Dist_constraint.Entity_ID
_Dist_constraint.Comp_index_ID
_Dist_constraint.Seq_ID
_Dist_constraint.Comp_ID
_Dist_constraint.Atom_ID
_Dist_constraint.Atom_type
_Dist_constraint.Atom_isotope_number
_Dist_constraint.Resonance_ID
_Dist_constraint.Auth_asym_ID
_Dist_constraint.Auth_entity_assembly_ID
_Dist_constraint.Auth_seq_ID
_Dist_constraint.Auth_comp_ID
_Dist_constraint.Auth_atom_ID
_Dist_constraint.Entry_ID
_Dist_constraint.Distance_constraint_list_ID
1 1 . 1 . 1 1 1 1 G H8 H . . 1 . 1 G5' H8 rr_1mv2 1
1 1 . 2 . 1 1 1 1 G H1' H . . 1 . 1 G5' H1' rr_1mv2 1
2 1 . 1 . 1 1 1 1 G H1' H . . 1 . 1 G5' H1' rr_1mv2 1
2 1 . 2 . 1 1 1 1 G H4' H . . 1 . 1 G5' H4' rr_1mv2 1
3 1 . 1 . 1 1 1 1 G H1' H . . 1 . 1 G5' H1' rr_1mv2 1
3 1 . 2 . 1 1 2 2 G H8 H . . 1 . 2 G H8 rr_1mv2 1
4 1 . 1 . 1 1 1 1 G H1' H . . 1 . 1 G5' H1' rr_1mv2 1
4 1 . 2 . 1 1 1 1 G H3' H . . 1 . 1 G5' H3' rr_1mv2 1
5 1 . 1 . 1 1 1 1 G H2' H . . 1 . 1 G5' H2' rr_1mv2 1
5 1 . 2 . 1 1 1 1 G H1' H . . 1 . 1 G5' H1' rr_1mv2 1
6 1 . 1 . 1 1 1 1 G H2' H . . 1 . 1 G5' H2' rr_1mv2 1
6 1 . 2 . 1 1 1 1 G H3' H . . 1 . 1 G5' H3' rr_1mv2 1
7 1 . 1 . 1 1 1 1 G H2' H . . 1 . 1 G5' H2' rr_1mv2 1
7 1 . 2 . 1 1 1 1 G H4' H . . 1 . 1 G5' H4' rr_1mv2 1
8 1 . 1 . 1 1 1 1 G H3' H . . 1 . 1 G5' H3' rr_1mv2 1
8 1 . 2 . 1 1 1 1 G H8 H . . 1 . 1 G5' H8 rr_1mv2 1
9 1 . 1 . 1 1 2 2 G H8 H . . 1 . 2 G H8 rr_1mv2 1
9 1 . 2 . 1 1 1 1 G H2' H . . 1 . 1 G5' H2' rr_1mv2 1
10 1 . 1 . 1 1 2 2 G H8 H . . 1 . 2 G H8 rr_1mv2 1
10 1 . 2 . 1 1 1 1 G H3' H . . 1 . 1 G5' H3' rr_1mv2 1
11 1 . 1 . 1 1 2 2 G H8 H . . 1 . 2 G H8 rr_1mv2 1
11 1 . 2 . 1 1 2 2 G H1' H . . 1 . 2 G H1' rr_1mv2 1
12 1 . 1 . 1 1 2 2 G H1' H . . 1 . 2 G H1' rr_1mv2 1
12 1 . 2 . 1 1 1 1 G H2' H . . 1 . 1 G5' H2' rr_1mv2 1
13 1 . 1 . 1 1 2 2 G H1' H . . 1 . 2 G H1' rr_1mv2 1
13 1 . 2 . 1 1 3 3 C H5 H . . 1 . 3 C H5 rr_1mv2 1
14 1 . 1 . 1 1 2 2 G H1' H . . 1 . 2 G H1' rr_1mv2 1
14 1 . 2 . 1 1 2 2 G H3' H . . 1 . 2 G H3' rr_1mv2 1
15 1 . 1 . 1 1 2 2 G H2' H . . 1 . 2 G H2' rr_1mv2 1
15 1 . 2 . 1 1 2 2 G H1' H . . 1 . 2 G H1' rr_1mv2 1
16 1 . 1 . 1 1 2 2 G H2' H . . 1 . 2 G H2' rr_1mv2 1
16 1 . 2 . 1 1 3 3 C H5 H . . 1 . 3 C H5 rr_1mv2 1
17 1 . 1 . 1 1 2 2 G H2' H . . 1 . 2 G H2' rr_1mv2 1
17 1 . 2 . 1 1 3 3 C H6 H . . 1 . 3 C H6 rr_1mv2 1
18 1 . 1 . 1 1 2 2 G H2' H . . 1 . 2 G H2' rr_1mv2 1
18 1 . 2 . 1 1 3 3 C H1' H . . 1 . 3 C H1' rr_1mv2 1
19 1 . 1 . 1 1 3 3 C H5 H . . 1 . 3 C H5 rr_1mv2 1
19 1 . 2 . 1 1 2 2 G H8 H . . 1 . 2 G H8 rr_1mv2 1
20 1 . 1 . 1 1 3 3 C H6 H . . 1 . 3 C H6 rr_1mv2 1
20 1 . 2 . 1 1 3 3 C H5 H . . 1 . 3 C H5 rr_1mv2 1
21 1 . 1 . 1 1 3 3 C H6 H . . 1 . 3 C H6 rr_1mv2 1
21 1 . 2 . 1 1 3 3 C H1' H . . 1 . 3 C H1' rr_1mv2 1
22 1 . 1 . 1 1 3 3 C H6 H . . 1 . 3 C H6 rr_1mv2 1
22 1 . 2 . 1 1 3 3 C H2' H . . 1 . 3 C H2' rr_1mv2 1
23 1 . 1 . 1 1 3 3 C H1' H . . 1 . 3 C H1' rr_1mv2 1
23 1 . 2 . 1 1 3 3 C H3' H . . 1 . 3 C H3' rr_1mv2 1
24 1 . 1 . 1 1 3 3 C H2' H . . 1 . 3 C H2' rr_1mv2 1
24 1 . 2 . 1 1 3 3 C H1' H . . 1 . 3 C H1' rr_1mv2 1
25 1 . 1 . 1 1 3 3 C H2' H . . 1 . 3 C H2' rr_1mv2 1
25 1 . 2 . 1 1 4 4 A H1' H . . 1 . 4 A H1' rr_1mv2 1
26 1 . 1 . 1 1 3 3 C H3' H . . 1 . 3 C H3' rr_1mv2 1
26 1 . 2 . 1 1 3 3 C H6 H . . 1 . 3 C H6 rr_1mv2 1
27 1 . 1 . 1 1 3 3 C H3' H . . 1 . 3 C H3' rr_1mv2 1
27 1 . 2 . 1 1 4 4 A H8 H . . 1 . 4 A H8 rr_1mv2 1
28 1 . 1 . 1 1 4 4 A H8 H . . 1 . 4 A H8 rr_1mv2 1
28 1 . 2 . 1 1 3 3 C H2' H . . 1 . 3 C H2' rr_1mv2 1
29 1 . 1 . 1 1 4 4 A H8 H . . 1 . 4 A H8 rr_1mv2 1
29 1 . 2 . 1 1 4 4 A H1' H . . 1 . 4 A H1' rr_1mv2 1
30 1 . 1 . 1 1 4 4 A H8 H . . 1 . 4 A H8 rr_1mv2 1
30 1 . 2 . 1 1 4 4 A H3' H . . 1 . 4 A H3' rr_1mv2 1
31 1 . 1 . 1 1 4 4 A H1' H . . 1 . 4 A H1' rr_1mv2 1
31 1 . 2 . 1 1 4 4 A H2' H . . 1 . 4 A H2' rr_1mv2 1
32 1 . 1 . 1 1 4 4 A H1' H . . 1 . 4 A H1' rr_1mv2 1
32 1 . 2 . 1 1 4 4 A H3' H . . 1 . 4 A H3' rr_1mv2 1
33 1 . 1 . 1 1 4 4 A H2' H . . 1 . 4 A H2' rr_1mv2 1
33 1 . 2 . 1 1 4 4 A H8 H . . 1 . 4 A H8 rr_1mv2 1
34 1 . 1 . 1 1 5 5 P5P H2 H . . 1 . 5 PUR H2 rr_1mv2 1
34 1 . 2 . 1 1 5 5 P5P H1' H . . 1 . 5 PUR H1' rr_1mv2 1
35 1 . 1 . 1 1 5 5 P5P H8 H . . 1 . 5 PUR H8 rr_1mv2 1
35 1 . 2 . 1 1 4 4 A H3' H . . 1 . 4 A H3' rr_1mv2 1
36 1 . 1 . 1 1 5 5 P5P H8 H . . 1 . 5 PUR H8 rr_1mv2 1
36 1 . 2 . 1 1 5 5 P5P H2' H . . 1 . 5 PUR H2' rr_1mv2 1
37 1 . 1 . 1 1 5 5 P5P H8 H . . 1 . 5 PUR H8 rr_1mv2 1
37 1 . 2 . 1 1 4 4 A H2' H . . 1 . 4 A H2' rr_1mv2 1
38 1 . 1 . 1 1 5 5 P5P H1' H . . 1 . 5 PUR H1' rr_1mv2 1
38 1 . 2 . 1 1 5 5 P5P H3' H . . 1 . 5 PUR H3' rr_1mv2 1
39 1 . 1 . 1 1 5 5 P5P H1' H . . 1 . 5 PUR H1' rr_1mv2 1
39 1 . 2 . 1 1 4 4 A H2 H . . 1 . 4 A H2 rr_1mv2 1
40 1 . 1 . 1 1 5 5 P5P H2' H . . 1 . 5 PUR H2' rr_1mv2 1
40 1 . 2 . 1 1 5 5 P5P H1' H . . 1 . 5 PUR H1' rr_1mv2 1
41 1 . 1 . 1 1 5 5 P5P H2' H . . 1 . 5 PUR H2' rr_1mv2 1
41 1 . 2 . 1 1 6 6 G H8 H . . 1 . 6 G H8 rr_1mv2 1
42 1 . 1 . 1 1 6 6 G H8 H . . 1 . 6 G H8 rr_1mv2 1
42 1 . 2 . 1 1 6 6 G H3' H . . 1 . 6 G H3' rr_1mv2 1
43 1 . 1 . 1 1 6 6 G H1' H . . 1 . 6 G H1' rr_1mv2 1
43 1 . 2 . 1 1 6 6 G H8 H . . 1 . 6 G H8 rr_1mv2 1
44 1 . 1 . 1 1 6 6 G H1' H . . 1 . 6 G H1' rr_1mv2 1
44 1 . 2 . 1 1 6 6 G H2' H . . 1 . 6 G H2' rr_1mv2 1
45 1 . 1 . 1 1 6 6 G H1' H . . 1 . 6 G H1' rr_1mv2 1
45 1 . 2 . 1 1 7 7 C H6 H . . 1 . 7 C H6 rr_1mv2 1
46 1 . 1 . 1 1 6 6 G H2' H . . 1 . 6 G H2' rr_1mv2 1
46 1 . 2 . 1 1 7 7 C H6 H . . 1 . 7 C H6 rr_1mv2 1
47 1 . 1 . 1 1 6 6 G H2' H . . 1 . 6 G H2' rr_1mv2 1
47 1 . 2 . 1 1 7 7 C H5 H . . 1 . 7 C H5 rr_1mv2 1
48 1 . 1 . 1 1 7 7 C H5 H . . 1 . 7 C H5 rr_1mv2 1
48 1 . 2 . 1 1 8 8 C H5 H . . 1 . 8 C H5 rr_1mv2 1
49 1 . 1 . 1 1 7 7 C H6 H . . 1 . 7 C H6 rr_1mv2 1
49 1 . 2 . 1 1 7 7 C H5 H . . 1 . 7 C H5 rr_1mv2 1
50 1 . 1 . 1 1 7 7 C H6 H . . 1 . 7 C H6 rr_1mv2 1
50 1 . 2 . 1 1 7 7 C H1' H . . 1 . 7 C H1' rr_1mv2 1
51 1 . 1 . 1 1 7 7 C H2' H . . 1 . 7 C H2' rr_1mv2 1
51 1 . 2 . 1 1 7 7 C H1' H . . 1 . 7 C H1' rr_1mv2 1
52 1 . 1 . 1 1 7 7 C H2' H . . 1 . 7 C H2' rr_1mv2 1
52 1 . 2 . 1 1 8 8 C H5 H . . 1 . 8 C H5 rr_1mv2 1
53 1 . 1 . 1 1 7 7 C H3' H . . 1 . 7 C H3' rr_1mv2 1
53 1 . 2 . 1 1 7 7 C H6 H . . 1 . 7 C H6 rr_1mv2 1
54 1 . 1 . 1 1 7 7 C H3' H . . 1 . 7 C H3' rr_1mv2 1
54 1 . 2 . 1 1 7 7 C H1' H . . 1 . 7 C H1' rr_1mv2 1
55 1 . 1 . 1 1 8 8 C H6 H . . 1 . 8 C H6 rr_1mv2 1
55 1 . 2 . 1 1 7 7 C H2' H . . 1 . 7 C H2' rr_1mv2 1
56 1 . 1 . 1 1 8 8 C H6 H . . 1 . 8 C H6 rr_1mv2 1
56 1 . 2 . 1 1 8 8 C H5 H . . 1 . 8 C H5 rr_1mv2 1
57 1 . 1 . 1 1 8 8 C H1' H . . 1 . 8 C H1' rr_1mv2 1
57 1 . 2 . 1 1 8 8 C H6 H . . 1 . 8 C H6 rr_1mv2 1
58 1 . 1 . 1 1 8 8 C H2' H . . 1 . 8 C H2' rr_1mv2 1
58 1 . 2 . 1 1 8 8 C H1' H . . 1 . 8 C H1' rr_1mv2 1
59 1 . 1 . 1 1 9 9 U H5 H . . 1 . 9 U3' H5 rr_1mv2 1
59 1 . 2 . 1 1 8 8 C H2' H . . 1 . 8 C H2' rr_1mv2 1
60 1 . 1 . 1 1 9 9 U H6 H . . 1 . 9 U3' H6 rr_1mv2 1
60 1 . 2 . 1 1 8 8 C H2' H . . 1 . 8 C H2' rr_1mv2 1
61 1 . 1 . 1 1 9 9 U H6 H . . 1 . 9 U3' H6 rr_1mv2 1
61 1 . 2 . 1 1 9 9 U H5 H . . 1 . 9 U3' H5 rr_1mv2 1
62 1 . 1 . 1 1 9 9 U H6 H . . 1 . 9 U3' H6 rr_1mv2 1
62 1 . 2 . 1 1 9 9 U H3' H . . 1 . 9 U3' H3' rr_1mv2 1
63 1 . 1 . 1 1 9 9 U H1' H . . 1 . 9 U3' H1' rr_1mv2 1
63 1 . 2 . 1 1 9 9 U H6 H . . 1 . 9 U3' H6 rr_1mv2 1
64 1 . 1 . 1 1 9 9 U H2' H . . 1 . 9 U3' H2' rr_1mv2 1
64 1 . 2 . 1 1 9 9 U H6 H . . 1 . 9 U3' H6 rr_1mv2 1
65 1 . 1 . 1 1 9 9 U H2' H . . 1 . 9 U3' H2' rr_1mv2 1
65 1 . 2 . 1 1 9 9 U H1' H . . 1 . 9 U3' H1' rr_1mv2 1
66 1 . 1 . 1 1 9 9 U H3' H . . 1 . 9 U3' H3' rr_1mv2 1
66 1 . 2 . 1 1 9 9 U H1' H . . 1 . 9 U3' H1' rr_1mv2 1
67 1 . 1 . 1 1 8 8 C H3' H . . 1 . 8 C H3' rr_1mv2 1
67 1 . 2 . 1 1 8 8 C H6 H . . 1 . 8 C H6 rr_1mv2 1
68 1 . 1 . 1 1 8 8 C H3' H . . 1 . 8 C H3' rr_1mv2 1
68 1 . 2 . 1 1 9 9 U H6 H . . 1 . 9 U3' H6 rr_1mv2 1
69 1 . 1 . 1 1 8 8 C H3' H . . 1 . 8 C H3' rr_1mv2 1
69 1 . 2 . 1 1 8 8 C H1' H . . 1 . 8 C H1' rr_1mv2 1
70 1 . 1 . 2 1 1 1 G H8 H . . B . 1 G5' H8 rr_1mv2 1
70 1 . 2 . 2 1 1 1 G H1' H . . B . 1 G5' H1' rr_1mv2 1
71 1 . 1 . 2 1 1 1 G H1' H . . B . 1 G5' H1' rr_1mv2 1
71 1 . 2 . 2 1 1 1 G H4' H . . B . 1 G5' H4' rr_1mv2 1
72 1 . 1 . 2 1 1 1 G H1' H . . B . 1 G5' H1' rr_1mv2 1
72 1 . 2 . 2 1 2 2 G H8 H . . B . 2 G H8 rr_1mv2 1
73 1 . 1 . 2 1 1 1 G H1' H . . B . 1 G5' H1' rr_1mv2 1
73 1 . 2 . 2 1 1 1 G H3' H . . B . 1 G5' H3' rr_1mv2 1
74 1 . 1 . 2 1 1 1 G H2' H . . B . 1 G5' H2' rr_1mv2 1
74 1 . 2 . 2 1 1 1 G H1' H . . B . 1 G5' H1' rr_1mv2 1
75 1 . 1 . 2 1 1 1 G H2' H . . B . 1 G5' H2' rr_1mv2 1
75 1 . 2 . 2 1 1 1 G H3' H . . B . 1 G5' H3' rr_1mv2 1
76 1 . 1 . 2 1 1 1 G H2' H . . B . 1 G5' H2' rr_1mv2 1
76 1 . 2 . 2 1 1 1 G H4' H . . B . 1 G5' H4' rr_1mv2 1
77 1 . 1 . 2 1 1 1 G H3' H . . B . 1 G5' H3' rr_1mv2 1
77 1 . 2 . 2 1 1 1 G H8 H . . B . 1 G5' H8 rr_1mv2 1
78 1 . 1 . 2 1 2 2 G H8 H . . B . 2 G H8 rr_1mv2 1
78 1 . 2 . 2 1 1 1 G H2' H . . B . 1 G5' H2' rr_1mv2 1
79 1 . 1 . 2 1 2 2 G H8 H . . B . 2 G H8 rr_1mv2 1
79 1 . 2 . 2 1 1 1 G H3' H . . B . 1 G5' H3' rr_1mv2 1
80 1 . 1 . 2 1 2 2 G H8 H . . B . 2 G H8 rr_1mv2 1
80 1 . 2 . 2 1 2 2 G H1' H . . B . 2 G H1' rr_1mv2 1
81 1 . 1 . 2 1 2 2 G H1' H . . B . 2 G H1' rr_1mv2 1
81 1 . 2 . 2 1 1 1 G H2' H . . B . 1 G5' H2' rr_1mv2 1
82 1 . 1 . 2 1 2 2 G H1' H . . B . 2 G H1' rr_1mv2 1
82 1 . 2 . 2 1 3 3 C H5 H . . B . 3 C H5 rr_1mv2 1
83 1 . 1 . 2 1 2 2 G H1' H . . B . 2 G H1' rr_1mv2 1
83 1 . 2 . 2 1 2 2 G H3' H . . B . 2 G H3' rr_1mv2 1
84 1 . 1 . 2 1 2 2 G H2' H . . B . 2 G H2' rr_1mv2 1
84 1 . 2 . 2 1 2 2 G H1' H . . B . 2 G H1' rr_1mv2 1
85 1 . 1 . 2 1 2 2 G H2' H . . B . 2 G H2' rr_1mv2 1
85 1 . 2 . 2 1 3 3 C H5 H . . B . 3 C H5 rr_1mv2 1
86 1 . 1 . 2 1 2 2 G H2' H . . B . 2 G H2' rr_1mv2 1
86 1 . 2 . 2 1 3 3 C H6 H . . B . 3 C H6 rr_1mv2 1
87 1 . 1 . 2 1 2 2 G H2' H . . B . 2 G H2' rr_1mv2 1
87 1 . 2 . 2 1 3 3 C H1' H . . B . 3 C H1' rr_1mv2 1
88 1 . 1 . 2 1 3 3 C H5 H . . B . 3 C H5 rr_1mv2 1
88 1 . 2 . 2 1 2 2 G H8 H . . B . 2 G H8 rr_1mv2 1
89 1 . 1 . 2 1 3 3 C H6 H . . B . 3 C H6 rr_1mv2 1
89 1 . 2 . 2 1 3 3 C H5 H . . B . 3 C H5 rr_1mv2 1
90 1 . 1 . 2 1 3 3 C H6 H . . B . 3 C H6 rr_1mv2 1
90 1 . 2 . 2 1 3 3 C H1' H . . B . 3 C H1' rr_1mv2 1
91 1 . 1 . 2 1 3 3 C H6 H . . B . 3 C H6 rr_1mv2 1
91 1 . 2 . 2 1 3 3 C H2' H . . B . 3 C H2' rr_1mv2 1
92 1 . 1 . 2 1 3 3 C H1' H . . B . 3 C H1' rr_1mv2 1
92 1 . 2 . 2 1 3 3 C H3' H . . B . 3 C H3' rr_1mv2 1
93 1 . 1 . 2 1 3 3 C H2' H . . B . 3 C H2' rr_1mv2 1
93 1 . 2 . 2 1 3 3 C H1' H . . B . 3 C H1' rr_1mv2 1
94 1 . 1 . 2 1 3 3 C H2' H . . B . 3 C H2' rr_1mv2 1
94 1 . 2 . 2 1 4 4 A H1' H . . B . 4 A H1' rr_1mv2 1
95 1 . 1 . 2 1 3 3 C H3' H . . B . 3 C H3' rr_1mv2 1
95 1 . 2 . 2 1 3 3 C H6 H . . B . 3 C H6 rr_1mv2 1
96 1 . 1 . 2 1 3 3 C H3' H . . B . 3 C H3' rr_1mv2 1
96 1 . 2 . 2 1 4 4 A H8 H . . B . 4 A H8 rr_1mv2 1
97 1 . 1 . 2 1 4 4 A H8 H . . B . 4 A H8 rr_1mv2 1
97 1 . 2 . 2 1 3 3 C H2' H . . B . 3 C H2' rr_1mv2 1
98 1 . 1 . 2 1 4 4 A H8 H . . B . 4 A H8 rr_1mv2 1
98 1 . 2 . 2 1 4 4 A H1' H . . B . 4 A H1' rr_1mv2 1
99 1 . 1 . 2 1 4 4 A H8 H . . B . 4 A H8 rr_1mv2 1
99 1 . 2 . 2 1 4 4 A H3' H . . B . 4 A H3' rr_1mv2 1
100 1 . 1 . 2 1 4 4 A H1' H . . B . 4 A H1' rr_1mv2 1
100 1 . 2 . 2 1 4 4 A H2' H . . B . 4 A H2' rr_1mv2 1
101 1 . 1 . 2 1 4 4 A H1' H . . B . 4 A H1' rr_1mv2 1
101 1 . 2 . 2 1 4 4 A H3' H . . B . 4 A H3' rr_1mv2 1
102 1 . 1 . 2 1 4 4 A H2' H . . B . 4 A H2' rr_1mv2 1
102 1 . 2 . 2 1 4 4 A H8 H . . B . 4 A H8 rr_1mv2 1
103 1 . 1 . 2 1 5 5 P5P H2 H . . B . 5 PUR H2 rr_1mv2 1
103 1 . 2 . 2 1 5 5 P5P H1' H . . B . 5 PUR H1' rr_1mv2 1
104 1 . 1 . 2 1 5 5 P5P H8 H . . B . 5 PUR H8 rr_1mv2 1
104 1 . 2 . 2 1 4 4 A H3' H . . B . 4 A H3' rr_1mv2 1
105 1 . 1 . 2 1 5 5 P5P H8 H . . B . 5 PUR H8 rr_1mv2 1
105 1 . 2 . 2 1 5 5 P5P H2' H . . B . 5 PUR H2' rr_1mv2 1
106 1 . 1 . 2 1 5 5 P5P H8 H . . B . 5 PUR H8 rr_1mv2 1
106 1 . 2 . 2 1 4 4 A H2' H . . B . 4 A H2' rr_1mv2 1
107 1 . 1 . 2 1 5 5 P5P H1' H . . B . 5 PUR H1' rr_1mv2 1
107 1 . 2 . 2 1 5 5 P5P H3' H . . B . 5 PUR H3' rr_1mv2 1
108 1 . 1 . 2 1 5 5 P5P H1' H . . B . 5 PUR H1' rr_1mv2 1
108 1 . 2 . 2 1 4 4 A H2 H . . B . 4 A H2 rr_1mv2 1
109 1 . 1 . 2 1 5 5 P5P H2' H . . B . 5 PUR H2' rr_1mv2 1
109 1 . 2 . 2 1 5 5 P5P H1' H . . B . 5 PUR H1' rr_1mv2 1
110 1 . 1 . 2 1 5 5 P5P H2' H . . B . 5 PUR H2' rr_1mv2 1
110 1 . 2 . 2 1 6 6 G H8 H . . B . 6 G H8 rr_1mv2 1
111 1 . 1 . 2 1 6 6 G H8 H . . B . 6 G H8 rr_1mv2 1
111 1 . 2 . 2 1 6 6 G H3' H . . B . 6 G H3' rr_1mv2 1
112 1 . 1 . 2 1 6 6 G H1' H . . B . 6 G H1' rr_1mv2 1
112 1 . 2 . 2 1 6 6 G H8 H . . B . 6 G H8 rr_1mv2 1
113 1 . 1 . 2 1 6 6 G H1' H . . B . 6 G H1' rr_1mv2 1
113 1 . 2 . 2 1 6 6 G H2' H . . B . 6 G H2' rr_1mv2 1
114 1 . 1 . 2 1 6 6 G H1' H . . B . 6 G H1' rr_1mv2 1
114 1 . 2 . 2 1 7 7 C H6 H . . B . 7 C H6 rr_1mv2 1
115 1 . 1 . 2 1 6 6 G H2' H . . B . 6 G H2' rr_1mv2 1
115 1 . 2 . 2 1 7 7 C H6 H . . B . 7 C H6 rr_1mv2 1
116 1 . 1 . 2 1 6 6 G H2' H . . B . 6 G H2' rr_1mv2 1
116 1 . 2 . 2 1 7 7 C H5 H . . B . 7 C H5 rr_1mv2 1
117 1 . 1 . 2 1 7 7 C H5 H . . B . 7 C H5 rr_1mv2 1
117 1 . 2 . 2 1 8 8 C H5 H . . B . 8 C H5 rr_1mv2 1
118 1 . 1 . 2 1 7 7 C H6 H . . B . 7 C H6 rr_1mv2 1
118 1 . 2 . 2 1 7 7 C H5 H . . B . 7 C H5 rr_1mv2 1
119 1 . 1 . 2 1 7 7 C H6 H . . B . 7 C H6 rr_1mv2 1
119 1 . 2 . 2 1 7 7 C H1' H . . B . 7 C H1' rr_1mv2 1
120 1 . 1 . 2 1 7 7 C H2' H . . B . 7 C H2' rr_1mv2 1
120 1 . 2 . 2 1 7 7 C H1' H . . B . 7 C H1' rr_1mv2 1
121 1 . 1 . 2 1 7 7 C H2' H . . B . 7 C H2' rr_1mv2 1
121 1 . 2 . 2 1 8 8 C H5 H . . B . 8 C H5 rr_1mv2 1
122 1 . 1 . 2 1 7 7 C H3' H . . B . 7 C H3' rr_1mv2 1
122 1 . 2 . 2 1 7 7 C H6 H . . B . 7 C H6 rr_1mv2 1
123 1 . 1 . 2 1 7 7 C H3' H . . B . 7 C H3' rr_1mv2 1
123 1 . 2 . 2 1 7 7 C H1' H . . B . 7 C H1' rr_1mv2 1
124 1 . 1 . 2 1 8 8 C H6 H . . B . 8 C H6 rr_1mv2 1
124 1 . 2 . 2 1 7 7 C H2' H . . B . 7 C H2' rr_1mv2 1
125 1 . 1 . 2 1 8 8 C H6 H . . B . 8 C H6 rr_1mv2 1
125 1 . 2 . 2 1 8 8 C H5 H . . B . 8 C H5 rr_1mv2 1
126 1 . 1 . 2 1 8 8 C H1' H . . B . 8 C H1' rr_1mv2 1
126 1 . 2 . 2 1 8 8 C H6 H . . B . 8 C H6 rr_1mv2 1
127 1 . 1 . 2 1 8 8 C H2' H . . B . 8 C H2' rr_1mv2 1
127 1 . 2 . 2 1 8 8 C H1' H . . B . 8 C H1' rr_1mv2 1
128 1 . 1 . 2 1 9 9 U H5 H . . B . 9 U3' H5 rr_1mv2 1
128 1 . 2 . 2 1 8 8 C H2' H . . B . 8 C H2' rr_1mv2 1
129 1 . 1 . 2 1 9 9 U H6 H . . B . 9 U3' H6 rr_1mv2 1
129 1 . 2 . 2 1 8 8 C H2' H . . B . 8 C H2' rr_1mv2 1
130 1 . 1 . 2 1 9 9 U H6 H . . B . 9 U3' H6 rr_1mv2 1
130 1 . 2 . 2 1 9 9 U H5 H . . B . 9 U3' H5 rr_1mv2 1
131 1 . 1 . 2 1 9 9 U H6 H . . B . 9 U3' H6 rr_1mv2 1
131 1 . 2 . 2 1 9 9 U H3' H . . B . 9 U3' H3' rr_1mv2 1
132 1 . 1 . 2 1 9 9 U H1' H . . B . 9 U3' H1' rr_1mv2 1
132 1 . 2 . 2 1 9 9 U H6 H . . B . 9 U3' H6 rr_1mv2 1
133 1 . 1 . 2 1 9 9 U H2' H . . B . 9 U3' H2' rr_1mv2 1
133 1 . 2 . 2 1 9 9 U H6 H . . B . 9 U3' H6 rr_1mv2 1
134 1 . 1 . 2 1 9 9 U H2' H . . B . 9 U3' H2' rr_1mv2 1
134 1 . 2 . 2 1 9 9 U H1' H . . B . 9 U3' H1' rr_1mv2 1
135 1 . 1 . 2 1 9 9 U H3' H . . B . 9 U3' H3' rr_1mv2 1
135 1 . 2 . 2 1 9 9 U H1' H . . B . 9 U3' H1' rr_1mv2 1
136 1 . 1 . 2 1 8 8 C H3' H . . B . 8 C H3' rr_1mv2 1
136 1 . 2 . 2 1 8 8 C H6 H . . B . 8 C H6 rr_1mv2 1
137 1 . 1 . 2 1 8 8 C H3' H . . B . 8 C H3' rr_1mv2 1
137 1 . 2 . 2 1 9 9 U H6 H . . B . 9 U3' H6 rr_1mv2 1
138 1 . 1 . 2 1 8 8 C H3' H . . B . 8 C H3' rr_1mv2 1
138 1 . 2 . 2 1 8 8 C H1' H . . B . 8 C H1' rr_1mv2 1
139 1 . 1 . 1 1 5 5 P5P H2 H . . 1 . 5 PUR H2 rr_1mv2 1
139 1 . 2 . 2 1 4 4 A H2 H . . B . 4 A H2 rr_1mv2 1
140 1 . 1 . 2 1 5 5 P5P H2 H . . B . 5 PUR H2 rr_1mv2 1
140 1 . 2 . 1 1 4 4 A H2 H . . 1 . 4 A H2 rr_1mv2 1
141 1 . 1 . 1 1 5 5 P5P H6 H . . 1 . 5 PUR H6 rr_1mv2 1
141 1 . 2 . 2 1 4 4 A H2 H . . B . 4 A H2 rr_1mv2 1
142 1 . 1 . 2 1 5 5 P5P H6 H . . B . 5 PUR H6 rr_1mv2 1
142 1 . 2 . 1 1 4 4 A H2 H . . 1 . 4 A H2 rr_1mv2 1
stop_
loop_
_Dist_constraint_value.Constraint_ID
_Dist_constraint_value.Tree_node_ID
_Dist_constraint_value.Source_experiment_ID
_Dist_constraint_value.Spectral_peak_ID
_Dist_constraint_value.Spectral_peak_list_ID
_Dist_constraint_value.Intensity_val
_Dist_constraint_value.Intensity_lower_val_err
_Dist_constraint_value.Intensity_upper_val_err
_Dist_constraint_value.Distance_val
_Dist_constraint_value.Distance_lower_bound_val
_Dist_constraint_value.Distance_upper_bound_val
_Dist_constraint_value.Entry_ID
_Dist_constraint_value.Distance_constraint_list_ID
1 1 . . . . . . . 2.559 4.753 rr_1mv2 1
2 1 . . . . . . . 2.378 4.416 rr_1mv2 1
3 1 . . . . . . . 2.821 5.240 rr_1mv2 1
4 1 . . . . . . . 2.309 4.287 rr_1mv2 1
5 1 . . . . . . . 1.887 3.504 rr_1mv2 1
6 1 . . . . . . . 1.497 2.780 rr_1mv2 1
7 1 . . . . . . . 2.559 4.753 rr_1mv2 1
8 1 . . . . . . . 2.255 4.187 rr_1mv2 1
9 1 . . . . . . . 1.661 3.085 rr_1mv2 1
10 1 . . . . . . . 1.724 3.202 rr_1mv2 1
11 1 . . . . . . . 2.802 5.204 rr_1mv2 1
12 1 . . . . . . . 2.954 5.485 rr_1mv2 1
13 1 . . . . . . . 3.211 5.964 rr_1mv2 1
14 1 . . . . . . . 2.200 4.087 rr_1mv2 1
15 1 . . . . . . . 2.040 3.789 rr_1mv2 1
16 1 . . . . . . . 2.992 5.556 rr_1mv2 1
17 1 . . . . . . . 1.727 3.208 rr_1mv2 1
18 1 . . . . . . . 3.211 5.964 rr_1mv2 1
19 1 . . . . . . . 2.776 5.156 rr_1mv2 1
20 1 . . . . . . . 1.728 3.210 rr_1mv2 1
21 1 . . . . . . . 2.560 4.754 rr_1mv2 1
22 1 . . . . . . . 2.293 4.258 rr_1mv2 1
23 1 . . . . . . . 2.171 4.032 rr_1mv2 1
24 1 . . . . . . . 1.904 3.537 rr_1mv2 1
25 1 . . . . . . . 2.354 4.371 rr_1mv2 1
26 1 . . . . . . . 2.010 3.732 rr_1mv2 1
27 1 . . . . . . . 2.048 3.803 rr_1mv2 1
28 1 . . . . . . . 1.834 3.406 rr_1mv2 1
29 1 . . . . . . . 2.875 5.339 rr_1mv2 1
30 1 . . . . . . . 2.176 4.040 rr_1mv2 1
31 1 . . . . . . . 1.826 3.391 rr_1mv2 1
32 1 . . . . . . . 2.791 5.184 rr_1mv2 1
33 1 . . . . . . . 2.414 4.483 rr_1mv2 1
34 1 . . . . . . . 3.188 5.920 rr_1mv2 1
35 1 . . . . . . . 2.550 4.736 rr_1mv2 1
36 1 . . . . . . . 2.667 4.953 rr_1mv2 1
37 1 . . . . . . . 2.023 3.757 rr_1mv2 1
38 1 . . . . . . . 2.278 4.230 rr_1mv2 1
39 1 . . . . . . . 2.897 5.380 rr_1mv2 1
40 1 . . . . . . . 2.079 3.861 rr_1mv2 1
41 1 . . . . . . . 1.842 3.422 rr_1mv2 1
42 1 . . . . . . . 1.860 3.454 rr_1mv2 1
43 1 . . . . . . . 2.958 5.494 rr_1mv2 1
44 1 . . . . . . . 1.953 3.627 rr_1mv2 1
45 1 . . . . . . . 2.797 5.194 rr_1mv2 1
46 1 . . . . . . . 1.807 3.357 rr_1mv2 1
47 1 . . . . . . . 2.635 4.893 rr_1mv2 1
48 1 . . . . . . . 2.417 4.488 rr_1mv2 1
49 1 . . . . . . . 1.772 3.291 rr_1mv2 1
50 1 . . . . . . . 2.272 4.219 rr_1mv2 1
51 1 . . . . . . . 1.907 3.541 rr_1mv2 1
52 1 . . . . . . . 2.570 4.773 rr_1mv2 1
53 1 . . . . . . . 1.913 3.552 rr_1mv2 1
54 1 . . . . . . . 2.409 4.474 rr_1mv2 1
55 1 . . . . . . . 1.598 2.968 rr_1mv2 1
56 1 . . . . . . . 1.710 3.175 rr_1mv2 1
57 1 . . . . . . . 2.658 4.936 rr_1mv2 1
58 1 . . . . . . . 1.811 3.364 rr_1mv2 1
59 1 . . . . . . . 2.232 4.145 rr_1mv2 1
60 1 . . . . . . . 1.752 3.254 rr_1mv2 1
61 1 . . . . . . . 1.743 3.236 rr_1mv2 1
62 1 . . . . . . . 1.802 3.347 rr_1mv2 1
63 1 . . . . . . . 3.136 5.824 rr_1mv2 1
64 1 . . . . . . . 2.404 4.464 rr_1mv2 1
65 1 . . . . . . . 2.009 3.730 rr_1mv2 1
66 1 . . . . . . . 2.496 4.635 rr_1mv2 1
67 1 . . . . . . . 1.990 3.700 rr_1mv2 1
68 1 . . . . . . . 1.980 3.670 rr_1mv2 1
69 1 . . . . . . . 2.717 5.046 rr_1mv2 1
70 1 . . . . . . . 2.559 4.753 rr_1mv2 1
71 1 . . . . . . . 2.378 4.416 rr_1mv2 1
72 1 . . . . . . . 2.821 5.240 rr_1mv2 1
73 1 . . . . . . . 2.309 4.287 rr_1mv2 1
74 1 . . . . . . . 1.887 3.504 rr_1mv2 1
75 1 . . . . . . . 1.497 2.780 rr_1mv2 1
76 1 . . . . . . . 2.559 4.753 rr_1mv2 1
77 1 . . . . . . . 2.255 4.187 rr_1mv2 1
78 1 . . . . . . . 1.661 3.085 rr_1mv2 1
79 1 . . . . . . . 1.724 3.202 rr_1mv2 1
80 1 . . . . . . . 2.802 5.204 rr_1mv2 1
81 1 . . . . . . . 2.954 5.485 rr_1mv2 1
82 1 . . . . . . . 3.211 5.964 rr_1mv2 1
83 1 . . . . . . . 2.200 4.087 rr_1mv2 1
84 1 . . . . . . . 2.040 3.789 rr_1mv2 1
85 1 . . . . . . . 2.992 5.556 rr_1mv2 1
86 1 . . . . . . . 1.727 3.208 rr_1mv2 1
87 1 . . . . . . . 3.211 5.964 rr_1mv2 1
88 1 . . . . . . . 2.776 5.156 rr_1mv2 1
89 1 . . . . . . . 1.728 3.210 rr_1mv2 1
90 1 . . . . . . . 2.560 4.754 rr_1mv2 1
91 1 . . . . . . . 2.293 4.258 rr_1mv2 1
92 1 . . . . . . . 2.171 4.032 rr_1mv2 1
93 1 . . . . . . . 1.904 3.537 rr_1mv2 1
94 1 . . . . . . . 2.354 4.371 rr_1mv2 1
95 1 . . . . . . . 2.010 3.732 rr_1mv2 1
96 1 . . . . . . . 2.048 3.803 rr_1mv2 1
97 1 . . . . . . . 1.834 3.406 rr_1mv2 1
98 1 . . . . . . . 2.875 5.339 rr_1mv2 1
99 1 . . . . . . . 2.176 4.040 rr_1mv2 1
100 1 . . . . . . . 1.826 3.391 rr_1mv2 1
101 1 . . . . . . . 2.791 5.184 rr_1mv2 1
102 1 . . . . . . . 2.414 4.483 rr_1mv2 1
103 1 . . . . . . . 3.188 5.920 rr_1mv2 1
104 1 . . . . . . . 2.550 4.736 rr_1mv2 1
105 1 . . . . . . . 2.667 4.953 rr_1mv2 1
106 1 . . . . . . . 2.023 3.757 rr_1mv2 1
107 1 . . . . . . . 2.278 4.230 rr_1mv2 1
108 1 . . . . . . . 2.897 5.380 rr_1mv2 1
109 1 . . . . . . . 2.079 3.861 rr_1mv2 1
110 1 . . . . . . . 1.842 3.422 rr_1mv2 1
111 1 . . . . . . . 1.860 3.454 rr_1mv2 1
112 1 . . . . . . . 2.958 5.494 rr_1mv2 1
113 1 . . . . . . . 1.953 3.627 rr_1mv2 1
114 1 . . . . . . . 2.797 5.194 rr_1mv2 1
115 1 . . . . . . . 1.807 3.357 rr_1mv2 1
116 1 . . . . . . . 2.635 4.893 rr_1mv2 1
117 1 . . . . . . . 2.417 4.488 rr_1mv2 1
118 1 . . . . . . . 1.772 3.291 rr_1mv2 1
119 1 . . . . . . . 2.272 4.219 rr_1mv2 1
120 1 . . . . . . . 1.907 3.541 rr_1mv2 1
121 1 . . . . . . . 2.570 4.773 rr_1mv2 1
122 1 . . . . . . . 1.913 3.552 rr_1mv2 1
123 1 . . . . . . . 2.409 4.474 rr_1mv2 1
124 1 . . . . . . . 1.598 2.968 rr_1mv2 1
125 1 . . . . . . . 1.710 3.175 rr_1mv2 1
126 1 . . . . . . . 2.658 4.936 rr_1mv2 1
127 1 . . . . . . . 1.811 3.364 rr_1mv2 1
128 1 . . . . . . . 2.232 4.145 rr_1mv2 1
129 1 . . . . . . . 1.752 3.254 rr_1mv2 1
130 1 . . . . . . . 1.743 3.236 rr_1mv2 1
131 1 . . . . . . . 1.802 3.347 rr_1mv2 1
132 1 . . . . . . . 3.136 5.824 rr_1mv2 1
133 1 . . . . . . . 2.404 4.464 rr_1mv2 1
134 1 . . . . . . . 2.009 3.730 rr_1mv2 1
135 1 . . . . . . . 2.496 4.635 rr_1mv2 1
136 1 . . . . . . . 1.990 3.700 rr_1mv2 1
137 1 . . . . . . . 1.980 3.670 rr_1mv2 1
138 1 . . . . . . . 2.717 5.046 rr_1mv2 1
139 1 . . . . . . . 3.207 5.955 rr_1mv2 1
140 1 . . . . . . . 3.207 5.955 rr_1mv2 1
141 1 . . . . . . . 2.632 4.888 rr_1mv2 1
142 1 . . . . . . . 2.632 4.888 rr_1mv2 1
stop_
loop_
_Dist_constraint_comment_org.ID
_Dist_constraint_comment_org.Comment_text
_Dist_constraint_comment_org.Comment_begin_line
_Dist_constraint_comment_org.Comment_begin_column
_Dist_constraint_comment_org.Comment_end_line
_Dist_constraint_comment_org.Comment_end_column
_Dist_constraint_comment_org.Entry_ID
_Dist_constraint_comment_org.Distance_constraint_list_ID
1 "strand 1: distance" 1 1 4 1 rr_1mv2 1
2 "3.656 0.30/0.30:" 5 82 5 101 rr_1mv2 1
3 "3.397 0.30/0.30:" 6 82 6 101 rr_1mv2 1
4 "4.031 0.30/0.30:" 7 82 7 101 rr_1mv2 1
5 "3.298 0.30/0.30:" 8 82 8 101 rr_1mv2 1
6 "2.695 0.30/0.30:" 9 82 9 101 rr_1mv2 1
7 "2.139 0.30/0.30:" 10 82 10 101 rr_1mv2 1
8 "3.656 0.30/0.30:" 11 82 11 101 rr_1mv2 1
9 "3.221 0.30/0.30:" 12 82 12 101 rr_1mv2 1
10 "2.373 0.30/0.30:" 13 82 13 101 rr_1mv2 1
11 "2.463 0.30/0.30:" 14 82 14 101 rr_1mv2 1
12 "4.003 0.30/0.30:" 15 82 15 101 rr_1mv2 1
13 "4.220 0.30/0.30:" 16 82 16 101 rr_1mv2 1
14 "4.588 0.30/0.30:" 17 82 17 101 rr_1mv2 1
15 "3.143 0.30/0.30:" 18 82 18 101 rr_1mv2 1
16 "2.915 0.30/0.30:" 19 82 19 101 rr_1mv2 1
17 "4.274 0.30/0.30:" 20 82 20 101 rr_1mv2 1
18 "2.468 0.30/0.30:" 21 82 21 101 rr_1mv2 1
19 "4.587 0.30/0.30:" 22 82 22 101 rr_1mv2 1
20 "3.966 0.30/0.30:" 23 82 23 101 rr_1mv2 1
21 "2.469 0.30/0.30:" 24 82 24 101 rr_1mv2 1
22 "3.657 0.30/0.30:" 25 82 25 101 rr_1mv2 1
23 "3.275 0.30/0.30:" 26 82 26 101 rr_1mv2 1
24
;3.102 0.30/0.30:
1:C_3:H1' 1:A_4:H8 3.277 6.000 25.000 25.000 1000.000 ! 4.682 0.30/0.30:
;
27 82 28 92 rr_1mv2 1
25 "2.720 0.30/0.30:" 29 82 29 101 rr_1mv2 1
26 "3.362 0.30/0.30:" 30 82 30 101 rr_1mv2 1
27 "2.871 0.30/0.30:" 31 82 31 101 rr_1mv2 1
28 "2.926 0.30/0.30:" 32 82 32 101 rr_1mv2 1
29 "2.620 0.30/0.30:" 33 82 33 101 rr_1mv2 1
30 "4.107 0.30/0.30:" 34 82 34 101 rr_1mv2 1
31 "3.108 0.30/0.30:" 35 82 35 101 rr_1mv2 1
32 "2.608 0.30/0.30:" 36 82 36 101 rr_1mv2 1
33 "3.987 0.30/0.30:" 37 82 37 101 rr_1mv2 1
34 "3.449 0.30/0.30:" 38 82 38 101 rr_1mv2 1
35
;4.554 0.30/0.30:
Is this a cross-strand or intrastrand???
1:PUR_5:H2 1:A_4:H2 3.310 6.000 25.000 25.000 1000.000 ! 4.728 0.30/0.30:
Is this a cross-strand or intrastrand???
1:PUR_5:H6 1:A_4:H2 2.649 4.919 25.000 25.000 1000.000 ! 3.784 0.30/0.30:
;
39 82 43 102 rr_1mv2 1
36
;3.643 0.30/0.30:
1:PUR_5:H8 1:PUR_5:H1' 3.324 6.000 25.000 25.000 1000.000 ! 4.748 0.30/0.30:
;
44 82 45 102 rr_1mv2 1
37 "3.810 0.30/0.30:" 46 82 46 101 rr_1mv2 1
38 "2.890 0.30/0.30:" 47 82 47 101 rr_1mv2 1
39 "3.254 0.30/0.30:" 48 82 48 101 rr_1mv2 1
40 "4.138 0.30/0.30:" 49 82 49 101 rr_1mv2 1
41 "2.970 0.30/0.30:" 50 82 50 101 rr_1mv2 1
42
;2.632 0.30/0.30:
1:G_6:H8 1:PUR_5:H1' 3.735 6.000 25.000 25.000 1000.000 ! 5.335 0.30/0.30:
;
51 82 52 102 rr_1mv2 1
43 "2.657 0.30/0.30:" 53 82 53 101 rr_1mv2 1
44 "4.226 0.30/0.30:" 54 82 54 101 rr_1mv2 1
45 "2.790 0.30/0.30:" 55 82 55 101 rr_1mv2 1
46 "3.995 0.30/0.30:" 56 82 56 101 rr_1mv2 1
47 "2.582 0.30/0.30:" 57 82 57 101 rr_1mv2 1
48 "3.764 0.30/0.30:" 58 82 58 101 rr_1mv2 1
49 "3.452 0.30/0.30:" 59 82 59 101 rr_1mv2 1
50 "2.531 0.30/0.30:" 60 82 60 101 rr_1mv2 1
51 "3.246 0.30/0.30:" 61 82 61 101 rr_1mv2 1
52 "2.724 0.30/0.30:" 62 82 62 101 rr_1mv2 1
53 "3.671 0.30/0.30:" 63 82 63 101 rr_1mv2 1
54 "2.732 0.30/0.30:" 64 82 64 101 rr_1mv2 1
55 "3.441 0.30/0.30:" 65 82 65 101 rr_1mv2 1
56 "2.283 0.30/0.30:" 66 82 66 101 rr_1mv2 1
57 "2.443 0.30/0.30:" 67 82 67 101 rr_1mv2 1
58 "3.797 0.30/0.30:" 68 82 68 101 rr_1mv2 1
59 "2.587 0.30/0.30:" 69 82 69 101 rr_1mv2 1
60 "3.188 0.30/0.30:" 70 82 70 101 rr_1mv2 1
61 "2.503 0.30/0.30:" 71 82 71 101 rr_1mv2 1
62 "2.489 0.30/0.30:" 72 82 72 101 rr_1mv2 1
63 "2.575 0.30/0.30:" 73 82 73 101 rr_1mv2 1
64 "4.480 0.30/0.30:" 74 82 74 101 rr_1mv2 1
65 "3.434 0.30/0.30:" 75 82 75 101 rr_1mv2 1
66 "2.869 0.30/0.30:" 76 82 76 101 rr_1mv2 1
67 "3.565 0.30/0.30:" 77 82 77 101 rr_1mv2 1
68 "2.850 0.30/0.30:" 78 82 78 101 rr_1mv2 1
69 "2.830 0.30/0.30:" 79 82 79 101 rr_1mv2 1
70 "3.882 0.30/0.30: *************************************************** strand 2:" 80 82 85 1 rr_1mv2 1
71 "3.656 0.30/0.30:" 86 75 86 94 rr_1mv2 1
72 "3.397 0.30/0.30:" 87 75 87 94 rr_1mv2 1
73 "4.031 0.30/0.30:" 88 71 88 90 rr_1mv2 1
74 "3.298 0.30/0.30:" 89 75 89 94 rr_1mv2 1
75 "2.695 0.30/0.30:" 90 75 90 94 rr_1mv2 1
76 "2.139 0.30/0.30:" 91 75 91 94 rr_1mv2 1
77 "3.656 0.30/0.30:" 92 75 92 94 rr_1mv2 1
78 "3.221 0.30/0.30:" 93 73 93 92 rr_1mv2 1
79 "2.373 0.30/0.30:" 94 75 94 94 rr_1mv2 1
80 "2.463 0.30/0.30:" 95 75 95 94 rr_1mv2 1
81 "4.003 0.30/0.30:" 96 72 96 91 rr_1mv2 1
82 "4.220 0.30/0.30:" 97 75 97 94 rr_1mv2 1
83 "4.588 0.30/0.30:" 98 71 98 90 rr_1mv2 1
84 "3.143 0.30/0.30:" 99 72 99 91 rr_1mv2 1
85 "2.915 0.30/0.30:" 100 72 100 91 rr_1mv2 1
86 "4.274 0.30/0.30:" 101 71 101 90 rr_1mv2 1
87 "2.468 0.30/0.30:" 102 71 102 90 rr_1mv2 1
88 "4.587 0.30/0.30:" 103 72 103 91 rr_1mv2 1
89 "3.966 0.30/0.30:" 104 71 104 90 rr_1mv2 1
90 "2.469 0.30/0.30:" 105 71 105 90 rr_1mv2 1
91 "3.657 0.30/0.30:" 106 72 106 91 rr_1mv2 1
92 "3.275 0.30/0.30:" 107 72 107 91 rr_1mv2 1
93
;3.102 0.30/0.30:
1:C_3B:H1' 1:A_4B:H8 3.277 6.000 25.000 25.000 1000.000 ! 4.682 0.30/0.30:
;
108 72 109 93 rr_1mv2 1
94 "2.720 0.30/0.30:" 110 72 110 91 rr_1mv2 1
95 "3.362 0.30/0.30:" 111 72 111 91 rr_1mv2 1
96 "2.871 0.30/0.30:" 112 71 112 90 rr_1mv2 1
97 "2.926 0.30/0.30:" 113 71 113 90 rr_1mv2 1
98 "2.620 0.30/0.30:" 114 72 114 91 rr_1mv2 1
99 "4.107 0.30/0.30:" 115 72 115 91 rr_1mv2 1
100 "3.108 0.30/0.30:" 116 72 116 91 rr_1mv2 1
101 "2.608 0.30/0.30:" 117 72 117 91 rr_1mv2 1
102 "3.987 0.30/0.30:" 118 72 118 91 rr_1mv2 1
103 "3.449 0.30/0.30:" 119 71 119 90 rr_1mv2 1
104
;4.554 0.30/0.30:
Is this a cross-srand or intrasttrand???
1:PUR_5B:H2 1:A_4B:H2 3.310 6.000 25.000 25.000 1000.000 ! 4.728 0.30/0.30:
Is this a cross-srand or intrasttrand???
1:PUR_5B:H6 1:A_4B:H2 2.649 4.919 25.000 25.000 1000.000 ! 3.784 0.30/0.30:
;
120 75 124 96 rr_1mv2 1
105
;3.643 0.30/0.30:
1:PUR_5B:H8 1:PUR_5B:H1' 3.324 6.000 25.000 25.000 1000.000 ! 4.748 0.30/0.30:
;
125 72 126 104 rr_1mv2 1
106 "3.810 0.30/0.30:" 127 75 127 94 rr_1mv2 1
107 "2.890 0.30/0.30:" 128 81 128 100 rr_1mv2 1
108 "3.254 0.30/0.30:" 129 75 129 94 rr_1mv2 1
109 "4.138 0.30/0.30:" 130 71 130 90 rr_1mv2 1
110 "2.970 0.30/0.30:" 131 75 131 94 rr_1mv2 1
111
;2.632 0.30/0.30:
1:G_6B:H8 1:PUR_5B:H1' 3.735 6.000 25.000 25.000 1000.000 ! 5.335 0.30/0.30:
;
132 71 133 104 rr_1mv2 1
112 "2.657 0.30/0.30:" 134 72 134 91 rr_1mv2 1
113 "4.226 0.30/0.30:" 135 71 135 90 rr_1mv2 1
114 "2.790 0.30/0.30:" 136 72 136 91 rr_1mv2 1
115 "3.995 0.30/0.30:" 137 71 137 90 rr_1mv2 1
116 "2.582 0.30/0.30:" 138 71 138 90 rr_1mv2 1
117 "3.764 0.30/0.30:" 139 71 139 90 rr_1mv2 1
118 "3.452 0.30/0.30:" 140 71 140 90 rr_1mv2 1
119 "2.531 0.30/0.30:" 141 71 141 90 rr_1mv2 1
120 "3.246 0.30/0.30:" 142 72 142 91 rr_1mv2 1
121 "2.724 0.30/0.30:" 143 72 143 91 rr_1mv2 1
122 "3.671 0.30/0.30:" 144 71 144 90 rr_1mv2 1
123 "2.732 0.30/0.30:" 145 71 145 90 rr_1mv2 1
124 "3.441 0.30/0.30:" 146 72 146 91 rr_1mv2 1
125 "2.283 0.30/0.30:" 147 72 147 91 rr_1mv2 1
126 "2.443 0.30/0.30:" 148 71 148 90 rr_1mv2 1
127 "3.797 0.30/0.30:" 149 71 149 90 rr_1mv2 1
128 "3.882 0.30/0.30:" 150 72 150 91 rr_1mv2 1
129 "3.188 0.30/0.30:" 151 82 151 101 rr_1mv2 1
130 "2.503 0.30/0.30:" 152 82 152 101 rr_1mv2 1
131 "2.489 0.30/0.30:" 153 82 153 101 rr_1mv2 1
132 "2.575 0.30/0.30:" 154 82 154 101 rr_1mv2 1
133 "4.480 0.30/0.30:" 155 82 155 101 rr_1mv2 1
134 "3.434 0.30/0.30:" 156 82 156 101 rr_1mv2 1
135 "2.869 0.30/0.30:" 157 82 157 101 rr_1mv2 1
136 "3.565 0.30/0.30:" 158 82 158 101 rr_1mv2 1
137 "2.850 0.30/0.30:" 159 82 159 101 rr_1mv2 1
138 "2.830 0.30/0.30:" 160 82 160 101 rr_1mv2 1
139
;3.882 0.30/0.30:
**********************************************
cross-strand
;
161 82 163 13 rr_1mv2 1
140 "4.581 0.30/0.30:" 164 82 164 101 rr_1mv2 1
141 "4.581 0.30/0.30:" 165 82 165 101 rr_1mv2 1
142 "3.759 0.30/0.30:" 166 75 166 94 rr_1mv2 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_1mv2
_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_1mv2 2
stop_
loop_
_Dist_constraint_tree.Constraint_ID
_Dist_constraint_tree.Node_ID
_Dist_constraint_tree.Down_node_ID
_Dist_constraint_tree.Right_node_ID
_Dist_constraint_tree.Logic_operation
_Dist_constraint_tree.Entry_ID
_Dist_constraint_tree.Distance_constraint_list_ID
1 1 . . . rr_1mv2 2
2 1 . . . rr_1mv2 2
3 1 . . . rr_1mv2 2
4 1 . . . rr_1mv2 2
5 1 . . . rr_1mv2 2
6 1 . . . rr_1mv2 2
7 1 . . . rr_1mv2 2
8 1 . . . rr_1mv2 2
9 1 . . . rr_1mv2 2
10 1 . . . rr_1mv2 2
11 1 . . . rr_1mv2 2
12 1 . . . rr_1mv2 2
13 1 . . . rr_1mv2 2
14 1 . . . rr_1mv2 2
15 1 . . . rr_1mv2 2
16 1 . . . rr_1mv2 2
17 1 . . . rr_1mv2 2
18 1 . . . rr_1mv2 2
stop_
loop_
_Dist_constraint.Tree_node_member_constraint_ID
_Dist_constraint.Tree_node_member_node_ID
_Dist_constraint.Contribution_fractional_val
_Dist_constraint.Constraint_tree_node_member_ID
_Dist_constraint.Assembly_atom_ID
_Dist_constraint.Entity_assembly_ID
_Dist_constraint.Entity_ID
_Dist_constraint.Comp_index_ID
_Dist_constraint.Seq_ID
_Dist_constraint.Comp_ID
_Dist_constraint.Atom_ID
_Dist_constraint.Atom_type
_Dist_constraint.Atom_isotope_number
_Dist_constraint.Resonance_ID
_Dist_constraint.Auth_asym_ID
_Dist_constraint.Auth_entity_assembly_ID
_Dist_constraint.Auth_seq_ID
_Dist_constraint.Auth_comp_ID
_Dist_constraint.Auth_atom_ID
_Dist_constraint.Entry_ID
_Dist_constraint.Distance_constraint_list_ID
1 1 . 1 . 1 1 1 1 G H1 H . . 1 . 1 G5' H1 rr_1mv2 2
1 1 . 2 . 2 1 8 8 C N3 N . . B . 8 C N3 rr_1mv2 2
2 1 . 1 . 1 1 1 1 G O6 O . . 1 . 1 G5' O6 rr_1mv2 2
2 1 . 2 . 2 1 8 8 C H42 H . . B . 8 C H42 rr_1mv2 2
3 1 . 1 . 1 1 1 1 G H22 H . . 1 . 1 G5' H22 rr_1mv2 2
3 1 . 2 . 2 1 8 8 C O2 O . . B . 8 C O2 rr_1mv2 2
4 1 . 1 . 1 1 2 2 G H1 H . . 1 . 2 G H1 rr_1mv2 2
4 1 . 2 . 2 1 7 7 C N3 N . . B . 7 C N3 rr_1mv2 2
5 1 . 1 . 1 1 2 2 G O6 O . . 1 . 2 G O6 rr_1mv2 2
5 1 . 2 . 2 1 7 7 C H42 H . . B . 7 C H42 rr_1mv2 2
6 1 . 1 . 1 1 2 2 G H22 H . . 1 . 2 G H22 rr_1mv2 2
6 1 . 2 . 2 1 7 7 C O2 O . . B . 7 C O2 rr_1mv2 2
7 1 . 1 . 1 1 3 3 C N3 N . . 1 . 3 C N3 rr_1mv2 2
7 1 . 2 . 2 1 6 6 G H1 H . . B . 6 G H1 rr_1mv2 2
8 1 . 1 . 1 1 3 3 C H42 H . . 1 . 3 C H42 rr_1mv2 2
8 1 . 2 . 2 1 6 6 G O6 O . . B . 6 G O6 rr_1mv2 2
9 1 . 1 . 1 1 3 3 C O2 O . . 1 . 3 C O2 rr_1mv2 2
9 1 . 2 . 2 1 6 6 G H22 H . . B . 6 G H22 rr_1mv2 2
10 1 . 1 . 1 1 6 6 G H1 H . . 1 . 6 G H1 rr_1mv2 2
10 1 . 2 . 2 1 3 3 C N3 N . . B . 3 C N3 rr_1mv2 2
11 1 . 1 . 1 1 6 6 G O6 O . . 1 . 6 G O6 rr_1mv2 2
11 1 . 2 . 2 1 3 3 C H42 H . . B . 3 C H42 rr_1mv2 2
12 1 . 1 . 1 1 6 6 G H22 H . . 1 . 6 G H22 rr_1mv2 2
12 1 . 2 . 2 1 3 3 C O2 O . . B . 3 C O2 rr_1mv2 2
13 1 . 1 . 1 1 7 7 C N3 N . . 1 . 7 C N3 rr_1mv2 2
13 1 . 2 . 2 1 2 2 G H1 H . . B . 2 G H1 rr_1mv2 2
14 1 . 1 . 1 1 7 7 C H42 H . . 1 . 7 C H42 rr_1mv2 2
14 1 . 2 . 2 1 2 2 G O6 O . . B . 2 G O6 rr_1mv2 2
15 1 . 1 . 1 1 7 7 C O2 O . . 1 . 7 C O2 rr_1mv2 2
15 1 . 2 . 2 1 2 2 G H22 H . . B . 2 G H22 rr_1mv2 2
16 1 . 1 . 1 1 8 8 C N3 N . . 1 . 8 C N3 rr_1mv2 2
16 1 . 2 . 2 1 1 1 G H1 H . . B . 1 G5' H1 rr_1mv2 2
17 1 . 1 . 1 1 8 8 C H42 H . . 1 . 8 C H42 rr_1mv2 2
17 1 . 2 . 2 1 1 1 G O6 O . . B . 1 G5' O6 rr_1mv2 2
18 1 . 1 . 1 1 8 8 C O2 O . . 1 . 8 C O2 rr_1mv2 2
18 1 . 2 . 2 1 1 1 G H22 H . . B . 1 G5' H22 rr_1mv2 2
stop_
loop_
_Dist_constraint_value.Constraint_ID
_Dist_constraint_value.Tree_node_ID
_Dist_constraint_value.Source_experiment_ID
_Dist_constraint_value.Spectral_peak_ID
_Dist_constraint_value.Spectral_peak_list_ID
_Dist_constraint_value.Intensity_val
_Dist_constraint_value.Intensity_lower_val_err
_Dist_constraint_value.Intensity_upper_val_err
_Dist_constraint_value.Distance_val
_Dist_constraint_value.Distance_lower_bound_val
_Dist_constraint_value.Distance_upper_bound_val
_Dist_constraint_value.Entry_ID
_Dist_constraint_value.Distance_constraint_list_ID
1 1 . . . . . . . 1.8 2.5 rr_1mv2 2
2 1 . . . . . . . 1.8 2.5 rr_1mv2 2
3 1 . . . . . . . 1.8 2.5 rr_1mv2 2
4 1 . . . . . . . 1.8 2.5 rr_1mv2 2
5 1 . . . . . . . 1.8 2.5 rr_1mv2 2
6 1 . . . . . . . 1.8 2.5 rr_1mv2 2
7 1 . . . . . . . 1.8 2.5 rr_1mv2 2
8 1 . . . . . . . 1.8 2.5 rr_1mv2 2
9 1 . . . . . . . 1.8 2.5 rr_1mv2 2
10 1 . . . . . . . 1.8 2.5 rr_1mv2 2
11 1 . . . . . . . 1.8 2.5 rr_1mv2 2
12 1 . . . . . . . 1.8 2.5 rr_1mv2 2
13 1 . . . . . . . 1.8 2.5 rr_1mv2 2
14 1 . . . . . . . 1.8 2.5 rr_1mv2 2
15 1 . . . . . . . 1.8 2.5 rr_1mv2 2
16 1 . . . . . . . 1.8 2.5 rr_1mv2 2
17 1 . . . . . . . 1.8 2.5 rr_1mv2 2
18 1 . . . . . . . 1.8 2.5 rr_1mv2 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
;BIOSYM restraint 1 The format and some of the numbers in this file were taken from MEB's
G7syn.rstrnt file. Any numbers taken from MEB's file will be noted. distance HYDROGEN-BONDING DISTANCES (based on theoretical # and taken from MEB)
;
1 1 10 1 rr_1mv2 2
2 Hbond 11 87 11 92 rr_1mv2 2
3 Hbond 12 87 12 92 rr_1mv2 2
4 Hbond 13 87 13 92 rr_1mv2 2
5 Hbond 14 87 14 92 rr_1mv2 2
6 Hbond 15 87 15 92 rr_1mv2 2
7 Hbond 16 87 16 92 rr_1mv2 2
8 Hbond 17 87 17 92 rr_1mv2 2
9 Hbond 18 87 18 92 rr_1mv2 2
10 Hbond 19 87 19 92 rr_1mv2 2
11 Hbond 20 87 20 92 rr_1mv2 2
12 Hbond 21 87 21 92 rr_1mv2 2
13 Hbond 22 87 22 92 rr_1mv2 2
14 Hbond 23 87 23 92 rr_1mv2 2
15 Hbond 24 87 24 92 rr_1mv2 2
16 Hbond 25 87 25 92 rr_1mv2 2
17 Hbond 26 87 26 92 rr_1mv2 2
18 Hbond 27 87 27 92 rr_1mv2 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_1mv2
_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_1mv2 1
stop_
loop_
_Torsion_angle_constraint.ID
_Torsion_angle_constraint.Torsion_angle_name
_Torsion_angle_constraint.Assembly_atom_ID_1
_Torsion_angle_constraint.Entity_assembly_ID_1
_Torsion_angle_constraint.Entity_ID_1
_Torsion_angle_constraint.Comp_index_ID_1
_Torsion_angle_constraint.Seq_ID_1
_Torsion_angle_constraint.Comp_ID_1
_Torsion_angle_constraint.Atom_ID_1
_Torsion_angle_constraint.Atom_type_1
_Torsion_angle_constraint.Resonance_ID_1
_Torsion_angle_constraint.Assembly_atom_ID_2
_Torsion_angle_constraint.Entity_assembly_ID_2
_Torsion_angle_constraint.Entity_ID_2
_Torsion_angle_constraint.Comp_index_ID_2
_Torsion_angle_constraint.Seq_ID_2
_Torsion_angle_constraint.Comp_ID_2
_Torsion_angle_constraint.Atom_ID_2
_Torsion_angle_constraint.Atom_type_2
_Torsion_angle_constraint.Resonance_ID_2
_Torsion_angle_constraint.Assembly_atom_ID_3
_Torsion_angle_constraint.Entity_assembly_ID_3
_Torsion_angle_constraint.Entity_ID_3
_Torsion_angle_constraint.Comp_index_ID_3
_Torsion_angle_constraint.Seq_ID_3
_Torsion_angle_constraint.Comp_ID_3
_Torsion_angle_constraint.Atom_ID_3
_Torsion_angle_constraint.Atom_type_3
_Torsion_angle_constraint.Resonance_ID_3
_Torsion_angle_constraint.Assembly_atom_ID_4
_Torsion_angle_constraint.Entity_assembly_ID_4
_Torsion_angle_constraint.Entity_ID_4
_Torsion_angle_constraint.Comp_index_ID_4
_Torsion_angle_constraint.Seq_ID_4
_Torsion_angle_constraint.Comp_ID_4
_Torsion_angle_constraint.Atom_ID_4
_Torsion_angle_constraint.Atom_type_4
_Torsion_angle_constraint.Resonance_ID_4
_Torsion_angle_constraint.Angle_lower_bound_val
_Torsion_angle_constraint.Angle_upper_bound_val
_Torsion_angle_constraint.Source_experiment_ID
_Torsion_angle_constraint.PDB_record_ID_1
_Torsion_angle_constraint.PDB_model_num_1
_Torsion_angle_constraint.PDB_strand_ID_1
_Torsion_angle_constraint.PDB_ins_code_1
_Torsion_angle_constraint.PDB_residue_no_1
_Torsion_angle_constraint.PDB_residue_name_1
_Torsion_angle_constraint.PDB_atom_name_1
_Torsion_angle_constraint.PDB_record_ID_2
_Torsion_angle_constraint.PDB_model_num_2
_Torsion_angle_constraint.PDB_strand_ID_2
_Torsion_angle_constraint.PDB_ins_code_2
_Torsion_angle_constraint.PDB_residue_no_2
_Torsion_angle_constraint.PDB_residue_name_2
_Torsion_angle_constraint.PDB_atom_name_2
_Torsion_angle_constraint.PDB_record_ID_3
_Torsion_angle_constraint.PDB_model_num_3
_Torsion_angle_constraint.PDB_strand_ID_3
_Torsion_angle_constraint.PDB_ins_code_3
_Torsion_angle_constraint.PDB_residue_no_3
_Torsion_angle_constraint.PDB_residue_name_3
_Torsion_angle_constraint.PDB_atom_name_3
_Torsion_angle_constraint.PDB_record_ID_4
_Torsion_angle_constraint.PDB_model_num_4
_Torsion_angle_constraint.PDB_strand_ID_4
_Torsion_angle_constraint.PDB_ins_code_4
_Torsion_angle_constraint.PDB_residue_no_4
_Torsion_angle_constraint.PDB_residue_name_4
_Torsion_angle_constraint.PDB_atom_name_4
_Torsion_angle_constraint.Auth_entity_assembly_ID_1
_Torsion_angle_constraint.Auth_asym_ID_1
_Torsion_angle_constraint.Auth_chain_ID_1
_Torsion_angle_constraint.Auth_seq_ID_1
_Torsion_angle_constraint.Auth_comp_ID_1
_Torsion_angle_constraint.Auth_atom_ID_1
_Torsion_angle_constraint.Auth_alt_ID_1
_Torsion_angle_constraint.Auth_atom_name_1
_Torsion_angle_constraint.Auth_entity_assembly_ID_2
_Torsion_angle_constraint.Auth_asym_ID_2
_Torsion_angle_constraint.Auth_chain_ID_2
_Torsion_angle_constraint.Auth_seq_ID_2
_Torsion_angle_constraint.Auth_comp_ID_2
_Torsion_angle_constraint.Auth_atom_ID_2
_Torsion_angle_constraint.Auth_alt_ID_2
_Torsion_angle_constraint.Auth_atom_name_2
_Torsion_angle_constraint.Auth_entity_assembly_ID_3
_Torsion_angle_constraint.Auth_asym_ID_3
_Torsion_angle_constraint.Auth_chain_ID_3
_Torsion_angle_constraint.Auth_seq_ID_3
_Torsion_angle_constraint.Auth_comp_ID_3
_Torsion_angle_constraint.Auth_atom_ID_3
_Torsion_angle_constraint.Auth_alt_ID_3
_Torsion_angle_constraint.Auth_atom_name_3
_Torsion_angle_constraint.Auth_entity_assembly_ID_4
_Torsion_angle_constraint.Auth_asym_ID_4
_Torsion_angle_constraint.Auth_chain_ID_4
_Torsion_angle_constraint.Auth_seq_ID_4
_Torsion_angle_constraint.Auth_comp_ID_4
_Torsion_angle_constraint.Auth_atom_ID_4
_Torsion_angle_constraint.Auth_alt_ID_4
_Torsion_angle_constraint.Auth_atom_name_4
_Torsion_angle_constraint.Entry_ID
_Torsion_angle_constraint.Torsion_angle_constraint_list_ID
1 . . 1 1 1 1 G O3' O . . 1 1 2 2 G P P . . 1 1 2 2 G O5' O . . 1 1 2 2 G C5' C . -150.0 150.0 . . . A . 1 G O3' . . A . 2 G P . . A . 2 G O5' . . A . 2 G C5' . 1 . 1 G5' O3' . . . 1 . 2 G P . . . 1 . 2 G O5' . . . 1 . 2 G C5' . . rr_1mv2 1
2 . . 1 1 2 2 G O3' O . . 1 1 3 3 C P P . . 1 1 3 3 C O5' O . . 1 1 3 3 C C5' C . -150.0 150.0 . . . A . 2 G O3' . . A . 3 C P . . A . 3 C O5' . . A . 3 C C5' . 1 . 2 G O3' . . . 1 . 3 C P . . . 1 . 3 C O5' . . . 1 . 3 C C5' . . rr_1mv2 1
3 . . 1 1 3 3 C O3' O . . 1 1 4 4 A P P . . 1 1 4 4 A O5' O . . 1 1 4 4 A C5' C . -150.0 150.0 . . . A . 3 C O3' . . A . 4 A P . . A . 4 A O5' . . A . 4 A C5' . 1 . 3 C O3' . . . 1 . 4 A P . . . 1 . 4 A O5' . . . 1 . 4 A C5' . . rr_1mv2 1
4 . . 1 1 4 4 A O3' O . . 1 1 5 5 P5P P P . . 1 1 5 5 P5P O5' O . . 1 1 5 5 P5P C5' C . -150.0 150.0 . . . A . 4 A O3' . . A . 5 P5P P . . A . 5 P5P O5' . . A . 5 P5P C5' . 1 . 4 A O3' . . . 1 . 5 PUR P . . . 1 . 5 PUR O5' . . . 1 . 5 PUR C5' . . rr_1mv2 1
5 . . 1 1 5 5 P5P O3' O . . 1 1 6 6 G P P . . 1 1 6 6 G O5' O . . 1 1 6 6 G C5' C . -150.0 150.0 . . . A . 5 P5P O3' . . A . 6 G P . . A . 6 G O5' . . A . 6 G C5' . 1 . 5 PUR O3' . . . 1 . 6 G P . . . 1 . 6 G O5' . . . 1 . 6 G C5' . . rr_1mv2 1
6 . . 1 1 6 6 G O3' O . . 1 1 7 7 C P P . . 1 1 7 7 C O5' O . . 1 1 7 7 C C5' C . -150.0 150.0 . . . A . 6 G O3' . . A . 7 C P . . A . 7 C O5' . . A . 7 C C5' . 1 . 6 G O3' . . . 1 . 7 C P . . . 1 . 7 C O5' . . . 1 . 7 C C5' . . rr_1mv2 1
7 . . 1 1 7 7 C O3' O . . 1 1 8 8 C P P . . 1 1 8 8 C O5' O . . 1 1 8 8 C C5' C . -150.0 150.0 . . . A . 7 C O3' . . A . 8 C P . . A . 8 C O5' . . A . 8 C C5' . 1 . 7 C O3' . . . 1 . 8 C P . . . 1 . 8 C O5' . . . 1 . 8 C C5' . . rr_1mv2 1
8 . . 1 1 8 8 C O3' O . . 1 1 9 9 U P P . . 1 1 9 9 U O5' O . . 1 1 9 9 U C5' C . -150.0 150.0 . . . A . 8 C O3' . . A . 9 U P . . A . 9 U O5' . . A . 9 U C5' . 1 . 8 C O3' . . . 1 . 9 U3' P . . . 1 . 9 U3' O5' . . . 1 . 9 U3' C5' . . rr_1mv2 1
9 . . 2 1 1 1 G O3' O . . 2 1 2 2 G P P . . 2 1 2 2 G O5' O . . 2 1 2 2 G C5' C . -150.0 150.0 . . . B . 1 G O3' . . B . 2 G P . . B . 2 G O5' . . B . 2 G C5' . B . 1 G5' O3' . . . B . 2 G P . . . B . 2 G O5' . . . B . 2 G C5' . . rr_1mv2 1
10 . . 2 1 2 2 G O3' O . . 2 1 3 3 C P P . . 2 1 3 3 C O5' O . . 2 1 3 3 C C5' C . -150.0 150.0 . . . B . 2 G O3' . . B . 3 C P . . B . 3 C O5' . . B . 3 C C5' . B . 2 G O3' . . . B . 3 C P . . . B . 3 C O5' . . . B . 3 C C5' . . rr_1mv2 1
11 . . 2 1 3 3 C O3' O . . 2 1 4 4 A P P . . 2 1 4 4 A O5' O . . 2 1 4 4 A C5' C . -150.0 150.0 . . . B . 3 C O3' . . B . 4 A P . . B . 4 A O5' . . B . 4 A C5' . B . 3 C O3' . . . B . 4 A P . . . B . 4 A O5' . . . B . 4 A C5' . . rr_1mv2 1
12 . . 2 1 4 4 A O3' O . . 2 1 5 5 P5P P P . . 2 1 5 5 P5P O5' O . . 2 1 5 5 P5P C5' C . -150.0 150.0 . . . B . 4 A O3' . . B . 5 P5P P . . B . 5 P5P O5' . . B . 5 P5P C5' . B . 4 A O3' . . . B . 5 PUR P . . . B . 5 PUR O5' . . . B . 5 PUR C5' . . rr_1mv2 1
13 . . 2 1 5 5 P5P O3' O . . 2 1 6 6 G P P . . 2 1 6 6 G O5' O . . 2 1 6 6 G C5' C . -150.0 150.0 . . . B . 5 P5P O3' . . B . 6 G P . . B . 6 G O5' . . B . 6 G C5' . B . 5 PUR O3' . . . B . 6 G P . . . B . 6 G O5' . . . B . 6 G C5' . . rr_1mv2 1
14 . . 2 1 6 6 G O3' O . . 2 1 7 7 C P P . . 2 1 7 7 C O5' O . . 2 1 7 7 C C5' C . -150.0 150.0 . . . B . 6 G O3' . . B . 7 C P . . B . 7 C O5' . . B . 7 C C5' . B . 6 G O3' . . . B . 7 C P . . . B . 7 C O5' . . . B . 7 C C5' . . rr_1mv2 1
15 . . 2 1 7 7 C O3' O . . 2 1 8 8 C P P . . 2 1 8 8 C O5' O . . 2 1 8 8 C C5' C . -150.0 150.0 . . . B . 7 C O3' . . B . 8 C P . . B . 8 C O5' . . B . 8 C C5' . B . 7 C O3' . . . B . 8 C P . . . B . 8 C O5' . . . B . 8 C C5' . . rr_1mv2 1
16 . . 2 1 8 8 C O3' O . . 2 1 9 9 U P P . . 2 1 9 9 U O5' O . . 2 1 9 9 U C5' C . -150.0 150.0 . . . B . 8 C O3' . . B . 9 U P . . B . 9 U O5' . . B . 9 U C5' . B . 8 C O3' . . . B . 9 U3' P . . . B . 9 U3' O5' . . . B . 9 U3' C5' . . rr_1mv2 1
17 . . 1 1 2 2 G P P . . 1 1 2 2 G O5' O . . 1 1 2 2 G C5' C . . 1 1 2 2 G C4' C . 150.0 210.0 . . . A . 2 G P . . A . 2 G O5' . . A . 2 G C5' . . A . 2 G C4' . 1 . 2 G P . . . 1 . 2 G O5' . . . 1 . 2 G C5' . . . 1 . 2 G C4' . . rr_1mv2 1
18 . . 1 1 3 3 C P P . . 1 1 3 3 C O5' O . . 1 1 3 3 C C5' C . . 1 1 3 3 C C4' C . 150.0 210.0 . . . A . 3 C P . . A . 3 C O5' . . A . 3 C C5' . . A . 3 C C4' . 1 . 3 C P . . . 1 . 3 C O5' . . . 1 . 3 C C5' . . . 1 . 3 C C4' . . rr_1mv2 1
19 . . 1 1 4 4 A P P . . 1 1 4 4 A O5' O . . 1 1 4 4 A C5' C . . 1 1 4 4 A C4' C . 150.0 210.0 . . . A . 4 A P . . A . 4 A O5' . . A . 4 A C5' . . A . 4 A C4' . 1 . 4 A P . . . 1 . 4 A O5' . . . 1 . 4 A C5' . . . 1 . 4 A C4' . . rr_1mv2 1
20 . . 1 1 5 5 P5P P P . . 1 1 5 5 P5P O5' O . . 1 1 5 5 P5P C5' C . . 1 1 5 5 P5P C4' C . 150.0 210.0 . . . A . 5 P5P P . . A . 5 P5P O5' . . A . 5 P5P C5' . . A . 5 P5P C4' . 1 . 5 PUR P . . . 1 . 5 PUR O5' . . . 1 . 5 PUR C5' . . . 1 . 5 PUR C4' . . rr_1mv2 1
21 . . 1 1 6 6 G P P . . 1 1 6 6 G O5' O . . 1 1 6 6 G C5' C . . 1 1 6 6 G C4' C . 150.0 210.0 . . . A . 6 G P . . A . 6 G O5' . . A . 6 G C5' . . A . 6 G C4' . 1 . 6 G P . . . 1 . 6 G O5' . . . 1 . 6 G C5' . . . 1 . 6 G C4' . . rr_1mv2 1
22 . . 1 1 7 7 C P P . . 1 1 7 7 C O5' O . . 1 1 7 7 C C5' C . . 1 1 7 7 C C4' C . 150.0 210.0 . . . A . 7 C P . . A . 7 C O5' . . A . 7 C C5' . . A . 7 C C4' . 1 . 7 C P . . . 1 . 7 C O5' . . . 1 . 7 C C5' . . . 1 . 7 C C4' . . rr_1mv2 1
23 . . 1 1 8 8 C P P . . 1 1 8 8 C O5' O . . 1 1 8 8 C C5' C . . 1 1 8 8 C C4' C . 150.0 210.0 . . . A . 8 C P . . A . 8 C O5' . . A . 8 C C5' . . A . 8 C C4' . 1 . 8 C P . . . 1 . 8 C O5' . . . 1 . 8 C C5' . . . 1 . 8 C C4' . . rr_1mv2 1
24 . . 1 1 9 9 U P P . . 1 1 9 9 U O5' O . . 1 1 9 9 U C5' C . . 1 1 9 9 U C4' C . 150.0 210.0 . . . A . 9 U P . . A . 9 U O5' . . A . 9 U C5' . . A . 9 U C4' . 1 . 9 U3' P . . . 1 . 9 U3' O5' . . . 1 . 9 U3' C5' . . . 1 . 9 U3' C4' . . rr_1mv2 1
25 . . 2 1 2 2 G P P . . 2 1 2 2 G O5' O . . 2 1 2 2 G C5' C . . 2 1 2 2 G C4' C . 150.0 210.0 . . . B . 2 G P . . B . 2 G O5' . . B . 2 G C5' . . B . 2 G C4' . B . 2 G P . . . B . 2 G O5' . . . B . 2 G C5' . . . B . 2 G C4' . . rr_1mv2 1
26 . . 2 1 3 3 C P P . . 2 1 3 3 C O5' O . . 2 1 3 3 C C5' C . . 2 1 3 3 C C4' C . 150.0 210.0 . . . B . 3 C P . . B . 3 C O5' . . B . 3 C C5' . . B . 3 C C4' . B . 3 C P . . . B . 3 C O5' . . . B . 3 C C5' . . . B . 3 C C4' . . rr_1mv2 1
27 . . 2 1 4 4 A P P . . 2 1 4 4 A O5' O . . 2 1 4 4 A C5' C . . 2 1 4 4 A C4' C . 150.0 210.0 . . . B . 4 A P . . B . 4 A O5' . . B . 4 A C5' . . B . 4 A C4' . B . 4 A P . . . B . 4 A O5' . . . B . 4 A C5' . . . B . 4 A C4' . . rr_1mv2 1
28 . . 2 1 5 5 P5P P P . . 2 1 5 5 P5P O5' O . . 2 1 5 5 P5P C5' C . . 2 1 5 5 P5P C4' C . 150.0 210.0 . . . B . 5 P5P P . . B . 5 P5P O5' . . B . 5 P5P C5' . . B . 5 P5P C4' . B . 5 PUR P . . . B . 5 PUR O5' . . . B . 5 PUR C5' . . . B . 5 PUR C4' . . rr_1mv2 1
29 . . 2 1 6 6 G P P . . 2 1 6 6 G O5' O . . 2 1 6 6 G C5' C . . 2 1 6 6 G C4' C . 150.0 210.0 . . . B . 6 G P . . B . 6 G O5' . . B . 6 G C5' . . B . 6 G C4' . B . 6 G P . . . B . 6 G O5' . . . B . 6 G C5' . . . B . 6 G C4' . . rr_1mv2 1
30 . . 2 1 7 7 C P P . . 2 1 7 7 C O5' O . . 2 1 7 7 C C5' C . . 2 1 7 7 C C4' C . 150.0 210.0 . . . B . 7 C P . . B . 7 C O5' . . B . 7 C C5' . . B . 7 C C4' . B . 7 C P . . . B . 7 C O5' . . . B . 7 C C5' . . . B . 7 C C4' . . rr_1mv2 1
31 . . 2 1 8 8 C P P . . 2 1 8 8 C O5' O . . 2 1 8 8 C C5' C . . 2 1 8 8 C C4' C . 150.0 210.0 . . . B . 8 C P . . B . 8 C O5' . . B . 8 C C5' . . B . 8 C C4' . B . 8 C P . . . B . 8 C O5' . . . B . 8 C C5' . . . B . 8 C C4' . . rr_1mv2 1
32 . . 2 1 9 9 U P P . . 2 1 9 9 U O5' O . . 2 1 9 9 U C5' C . . 2 1 9 9 U C4' C . 150.0 210.0 . . . B . 9 U P . . B . 9 U O5' . . B . 9 U C5' . . B . 9 U C4' . B . 9 U3' P . . . B . 9 U3' O5' . . . B . 9 U3' C5' . . . B . 9 U3' C4' . . rr_1mv2 1
33 . . 1 1 1 1 G O5' O . . 1 1 1 1 G C5' C . . 1 1 1 1 G C4' C . . 1 1 1 1 G C3' C . 30.0 90.0 . . . A . 1 G O5' . . A . 1 G C5' . . A . 1 G C4' . . A . 1 G C3' . 1 . 1 G5' O5' . . . 1 . 1 G5' C5' . . . 1 . 1 G5' C4' . . . 1 . 1 G5' C3' . . rr_1mv2 1
34 . . 1 1 2 2 G O5' O . . 1 1 2 2 G C5' C . . 1 1 2 2 G C4' C . . 1 1 2 2 G C3' C . 30.0 90.0 . . . A . 2 G O5' . . A . 2 G C5' . . A . 2 G C4' . . A . 2 G C3' . 1 . 2 G O5' . . . 1 . 2 G C5' . . . 1 . 2 G C4' . . . 1 . 2 G C3' . . rr_1mv2 1
35 . . 1 1 3 3 C O5' O . . 1 1 3 3 C C5' C . . 1 1 3 3 C C4' C . . 1 1 3 3 C C3' C . 30.0 90.0 . . . A . 3 C O5' . . A . 3 C C5' . . A . 3 C C4' . . A . 3 C C3' . 1 . 3 C O5' . . . 1 . 3 C C5' . . . 1 . 3 C C4' . . . 1 . 3 C C3' . . rr_1mv2 1
36 . . 1 1 4 4 A O5' O . . 1 1 4 4 A C5' C . . 1 1 4 4 A C4' C . . 1 1 4 4 A C3' C . 30.0 90.0 . . . A . 4 A O5' . . A . 4 A C5' . . A . 4 A C4' . . A . 4 A C3' . 1 . 4 A O5' . . . 1 . 4 A C5' . . . 1 . 4 A C4' . . . 1 . 4 A C3' . . rr_1mv2 1
37 . . 1 1 5 5 P5P O5' O . . 1 1 5 5 P5P C5' C . . 1 1 5 5 P5P C4' C . . 1 1 5 5 P5P C3' C . 30.0 90.0 . . . A . 5 P5P O5' . . A . 5 P5P C5' . . A . 5 P5P C4' . . A . 5 P5P C3' . 1 . 5 PUR O5' . . . 1 . 5 PUR C5' . . . 1 . 5 PUR C4' . . . 1 . 5 PUR C3' . . rr_1mv2 1
38 . . 1 1 6 6 G O5' O . . 1 1 6 6 G C5' C . . 1 1 6 6 G C4' C . . 1 1 6 6 G C3' C . 30.0 90.0 . . . A . 6 G O5' . . A . 6 G C5' . . A . 6 G C4' . . A . 6 G C3' . 1 . 6 G O5' . . . 1 . 6 G C5' . . . 1 . 6 G C4' . . . 1 . 6 G C3' . . rr_1mv2 1
39 . . 1 1 7 7 C O5' O . . 1 1 7 7 C C5' C . . 1 1 7 7 C C4' C . . 1 1 7 7 C C3' C . 30.0 90.0 . . . A . 7 C O5' . . A . 7 C C5' . . A . 7 C C4' . . A . 7 C C3' . 1 . 7 C O5' . . . 1 . 7 C C5' . . . 1 . 7 C C4' . . . 1 . 7 C C3' . . rr_1mv2 1
40 . . 1 1 8 8 C O5' O . . 1 1 8 8 C C5' C . . 1 1 8 8 C C4' C . . 1 1 8 8 C C3' C . 30.0 90.0 . . . A . 8 C O5' . . A . 8 C C5' . . A . 8 C C4' . . A . 8 C C3' . 1 . 8 C O5' . . . 1 . 8 C C5' . . . 1 . 8 C C4' . . . 1 . 8 C C3' . . rr_1mv2 1
41 . . 1 1 9 9 U O5' O . . 1 1 9 9 U C5' C . . 1 1 9 9 U C4' C . . 1 1 9 9 U C3' C . 30.0 90.0 . . . A . 9 U O5' . . A . 9 U C5' . . A . 9 U C4' . . A . 9 U C3' . 1 . 9 U3' O5' . . . 1 . 9 U3' C5' . . . 1 . 9 U3' C4' . . . 1 . 9 U3' C3' . . rr_1mv2 1
42 . . 2 1 1 1 G O5' O . . 2 1 1 1 G C5' C . . 2 1 1 1 G C4' C . . 2 1 1 1 G C3' C . 30.0 90.0 . . . B . 1 G O5' . . B . 1 G C5' . . B . 1 G C4' . . B . 1 G C3' . B . 1 G5' O5' . . . B . 1 G5' C5' . . . B . 1 G5' C4' . . . B . 1 G5' C3' . . rr_1mv2 1
43 . . 2 1 2 2 G O5' O . . 2 1 2 2 G C5' C . . 2 1 2 2 G C4' C . . 2 1 2 2 G C3' C . 30.0 90.0 . . . B . 2 G O5' . . B . 2 G C5' . . B . 2 G C4' . . B . 2 G C3' . B . 2 G O5' . . . B . 2 G C5' . . . B . 2 G C4' . . . B . 2 G C3' . . rr_1mv2 1
44 . . 2 1 3 3 C O5' O . . 2 1 3 3 C C5' C . . 2 1 3 3 C C4' C . . 2 1 3 3 C C3' C . 30.0 90.0 . . . B . 3 C O5' . . B . 3 C C5' . . B . 3 C C4' . . B . 3 C C3' . B . 3 C O5' . . . B . 3 C C5' . . . B . 3 C C4' . . . B . 3 C C3' . . rr_1mv2 1
45 . . 2 1 4 4 A O5' O . . 2 1 4 4 A C5' C . . 2 1 4 4 A C4' C . . 2 1 4 4 A C3' C . 30.0 90.0 . . . B . 4 A O5' . . B . 4 A C5' . . B . 4 A C4' . . B . 4 A C3' . B . 4 A O5' . . . B . 4 A C5' . . . B . 4 A C4' . . . B . 4 A C3' . . rr_1mv2 1
46 . . 2 1 5 5 P5P O5' O . . 2 1 5 5 P5P C5' C . . 2 1 5 5 P5P C4' C . . 2 1 5 5 P5P C3' C . 30.0 90.0 . . . B . 5 P5P O5' . . B . 5 P5P C5' . . B . 5 P5P C4' . . B . 5 P5P C3' . B . 5 PUR O5' . . . B . 5 PUR C5' . . . B . 5 PUR C4' . . . B . 5 PUR C3' . . rr_1mv2 1
47 . . 2 1 6 6 G O5' O . . 2 1 6 6 G C5' C . . 2 1 6 6 G C4' C . . 2 1 6 6 G C3' C . 30.0 90.0 . . . B . 6 G O5' . . B . 6 G C5' . . B . 6 G C4' . . B . 6 G C3' . B . 6 G O5' . . . B . 6 G C5' . . . B . 6 G C4' . . . B . 6 G C3' . . rr_1mv2 1
48 . . 2 1 7 7 C O5' O . . 2 1 7 7 C C5' C . . 2 1 7 7 C C4' C . . 2 1 7 7 C C3' C . 30.0 90.0 . . . B . 7 C O5' . . B . 7 C C5' . . B . 7 C C4' . . B . 7 C C3' . B . 7 C O5' . . . B . 7 C C5' . . . B . 7 C C4' . . . B . 7 C C3' . . rr_1mv2 1
49 . . 2 1 8 8 C O5' O . . 2 1 8 8 C C5' C . . 2 1 8 8 C C4' C . . 2 1 8 8 C C3' C . 30.0 90.0 . . . B . 8 C O5' . . B . 8 C C5' . . B . 8 C C4' . . B . 8 C C3' . B . 8 C O5' . . . B . 8 C C5' . . . B . 8 C C4' . . . B . 8 C C3' . . rr_1mv2 1
50 . . 2 1 9 9 U O5' O . . 2 1 9 9 U C5' C . . 2 1 9 9 U C4' C . . 2 1 9 9 U C3' C . 30.0 90.0 . . . B . 9 U O5' . . B . 9 U C5' . . B . 9 U C4' . . B . 9 U C3' . B . 9 U3' O5' . . . B . 9 U3' C5' . . . B . 9 U3' C4' . . . B . 9 U3' C3' . . rr_1mv2 1
51 . . 1 1 1 1 G C5' C . . 1 1 1 1 G C4' C . . 1 1 1 1 G C3' C . . 1 1 1 1 G O3' O . 70.0 110.0 . . . A . 1 G C5' . . A . 1 G C4' . . A . 1 G C3' . . A . 1 G O3' . 1 . 1 G5' C5' . . . 1 . 1 G5' C4' . . . 1 . 1 G5' C3' . . . 1 . 1 G5' O3' . . rr_1mv2 1
52 . . 1 1 2 2 G C5' C . . 1 1 2 2 G C4' C . . 1 1 2 2 G C3' C . . 1 1 2 2 G O3' O . 70.0 110.0 . . . A . 2 G C5' . . A . 2 G C4' . . A . 2 G C3' . . A . 2 G O3' . 1 . 2 G C5' . . . 1 . 2 G C4' . . . 1 . 2 G C3' . . . 1 . 2 G O3' . . rr_1mv2 1
53 . . 1 1 3 3 C C5' C . . 1 1 3 3 C C4' C . . 1 1 3 3 C C3' C . . 1 1 3 3 C O3' O . 70.0 110.0 . . . A . 3 C C5' . . A . 3 C C4' . . A . 3 C C3' . . A . 3 C O3' . 1 . 3 C C5' . . . 1 . 3 C C4' . . . 1 . 3 C C3' . . . 1 . 3 C O3' . . rr_1mv2 1
54 . . 1 1 4 4 A C5' C . . 1 1 4 4 A C4' C . . 1 1 4 4 A C3' C . . 1 1 4 4 A O3' O . 70.0 110.0 . . . A . 4 A C5' . . A . 4 A C4' . . A . 4 A C3' . . A . 4 A O3' . 1 . 4 A C5' . . . 1 . 4 A C4' . . . 1 . 4 A C3' . . . 1 . 4 A O3' . . rr_1mv2 1
55 . . 1 1 5 5 P5P C5' C . . 1 1 5 5 P5P C4' C . . 1 1 5 5 P5P C3' C . . 1 1 5 5 P5P O3' O . 70.0 110.0 . . . A . 5 P5P C5' . . A . 5 P5P C4' . . A . 5 P5P C3' . . A . 5 P5P O3' . 1 . 5 PUR C5' . . . 1 . 5 PUR C4' . . . 1 . 5 PUR C3' . . . 1 . 5 PUR O3' . . rr_1mv2 1
56 . . 1 1 6 6 G C5' C . . 1 1 6 6 G C4' C . . 1 1 6 6 G C3' C . . 1 1 6 6 G O3' O . 70.0 110.0 . . . A . 6 G C5' . . A . 6 G C4' . . A . 6 G C3' . . A . 6 G O3' . 1 . 6 G C5' . . . 1 . 6 G C4' . . . 1 . 6 G C3' . . . 1 . 6 G O3' . . rr_1mv2 1
57 . . 1 1 7 7 C C5' C . . 1 1 7 7 C C4' C . . 1 1 7 7 C C3' C . . 1 1 7 7 C O3' O . 70.0 110.0 . . . A . 7 C C5' . . A . 7 C C4' . . A . 7 C C3' . . A . 7 C O3' . 1 . 7 C C5' . . . 1 . 7 C C4' . . . 1 . 7 C C3' . . . 1 . 7 C O3' . . rr_1mv2 1
58 . . 1 1 8 8 C C5' C . . 1 1 8 8 C C4' C . . 1 1 8 8 C C3' C . . 1 1 8 8 C O3' O . 70.0 110.0 . . . A . 8 C C5' . . A . 8 C C4' . . A . 8 C C3' . . A . 8 C O3' . 1 . 8 C C5' . . . 1 . 8 C C4' . . . 1 . 8 C C3' . . . 1 . 8 C O3' . . rr_1mv2 1
59 . . 1 1 9 9 U C5' C . . 1 1 9 9 U C4' C . . 1 1 9 9 U C3' C . . 1 1 9 9 U O3' O . 70.0 110.0 . . . A . 9 U C5' . . A . 9 U C4' . . A . 9 U C3' . . A . 9 U O3' . 1 . 9 U3' C5' . . . 1 . 9 U3' C4' . . . 1 . 9 U3' C3' . . . 1 . 9 U3' O3' . . rr_1mv2 1
60 . . 2 1 1 1 G C5' C . . 2 1 1 1 G C4' C . . 2 1 1 1 G C3' C . . 2 1 1 1 G O3' O . 70.0 110.0 . . . B . 1 G C5' . . B . 1 G C4' . . B . 1 G C3' . . B . 1 G O3' . B . 1 G5' C5' . . . B . 1 G5' C4' . . . B . 1 G5' C3' . . . B . 1 G5' O3' . . rr_1mv2 1
61 . . 2 1 2 2 G C5' C . . 2 1 2 2 G C4' C . . 2 1 2 2 G C3' C . . 2 1 2 2 G O3' O . 70.0 110.0 . . . B . 2 G C5' . . B . 2 G C4' . . B . 2 G C3' . . B . 2 G O3' . B . 2 G C5' . . . B . 2 G C4' . . . B . 2 G C3' . . . B . 2 G O3' . . rr_1mv2 1
62 . . 2 1 3 3 C C5' C . . 2 1 3 3 C C4' C . . 2 1 3 3 C C3' C . . 2 1 3 3 C O3' O . 70.0 110.0 . . . B . 3 C C5' . . B . 3 C C4' . . B . 3 C C3' . . B . 3 C O3' . B . 3 C C5' . . . B . 3 C C4' . . . B . 3 C C3' . . . B . 3 C O3' . . rr_1mv2 1
63 . . 2 1 4 4 A C5' C . . 2 1 4 4 A C4' C . . 2 1 4 4 A C3' C . . 2 1 4 4 A O3' O . 70.0 110.0 . . . B . 4 A C5' . . B . 4 A C4' . . B . 4 A C3' . . B . 4 A O3' . B . 4 A C5' . . . B . 4 A C4' . . . B . 4 A C3' . . . B . 4 A O3' . . rr_1mv2 1
64 . . 2 1 5 5 P5P C5' C . . 2 1 5 5 P5P C4' C . . 2 1 5 5 P5P C3' C . . 2 1 5 5 P5P O3' O . 70.0 110.0 . . . B . 5 P5P C5' . . B . 5 P5P C4' . . B . 5 P5P C3' . . B . 5 P5P O3' . B . 5 PUR C5' . . . B . 5 PUR C4' . . . B . 5 PUR C3' . . . B . 5 PUR O3' . . rr_1mv2 1
65 . . 2 1 6 6 G C5' C . . 2 1 6 6 G C4' C . . 2 1 6 6 G C3' C . . 2 1 6 6 G O3' O . 70.0 110.0 . . . B . 6 G C5' . . B . 6 G C4' . . B . 6 G C3' . . B . 6 G O3' . B . 6 G C5' . . . B . 6 G C4' . . . B . 6 G C3' . . . B . 6 G O3' . . rr_1mv2 1
66 . . 2 1 7 7 C C5' C . . 2 1 7 7 C C4' C . . 2 1 7 7 C C3' C . . 2 1 7 7 C O3' O . 70.0 110.0 . . . B . 7 C C5' . . B . 7 C C4' . . B . 7 C C3' . . B . 7 C O3' . B . 7 C C5' . . . B . 7 C C4' . . . B . 7 C C3' . . . B . 7 C O3' . . rr_1mv2 1
67 . . 2 1 8 8 C C5' C . . 2 1 8 8 C C4' C . . 2 1 8 8 C C3' C . . 2 1 8 8 C O3' O . 70.0 110.0 . . . B . 8 C C5' . . B . 8 C C4' . . B . 8 C C3' . . B . 8 C O3' . B . 8 C C5' . . . B . 8 C C4' . . . B . 8 C C3' . . . B . 8 C O3' . . rr_1mv2 1
68 . . 2 1 9 9 U C5' C . . 2 1 9 9 U C4' C . . 2 1 9 9 U C3' C . . 2 1 9 9 U O3' O . 70.0 110.0 . . . B . 9 U C5' . . B . 9 U C4' . . B . 9 U C3' . . B . 9 U O3' . B . 9 U3' C5' . . . B . 9 U3' C4' . . . B . 9 U3' C3' . . . B . 9 U3' O3' . . rr_1mv2 1
69 . . 1 1 1 1 G C4' C . . 1 1 1 1 G C3' C . . 1 1 1 1 G O3' O . . 1 1 2 2 G P P . -170.0 -100.0 . . . A . 1 G C4' . . A . 1 G C3' . . A . 1 G O3' . . A . 2 G P . 1 . 1 G5' C4' . . . 1 . 1 G5' C3' . . . 1 . 1 G5' O3' . . . 1 . 2 G P . . rr_1mv2 1
70 . . 1 1 2 2 G C4' C . . 1 1 2 2 G C3' C . . 1 1 2 2 G O3' O . . 1 1 3 3 C P P . -170.0 -100.0 . . . A . 2 G C4' . . A . 2 G C3' . . A . 2 G O3' . . A . 3 C P . 1 . 2 G C4' . . . 1 . 2 G C3' . . . 1 . 2 G O3' . . . 1 . 3 C P . . rr_1mv2 1
71 . . 1 1 3 3 C C4' C . . 1 1 3 3 C C3' C . . 1 1 3 3 C O3' O . . 1 1 4 4 A P P . -170.0 -100.0 . . . A . 3 C C4' . . A . 3 C C3' . . A . 3 C O3' . . A . 4 A P . 1 . 3 C C4' . . . 1 . 3 C C3' . . . 1 . 3 C O3' . . . 1 . 4 A P . . rr_1mv2 1
72 . . 1 1 4 4 A C4' C . . 1 1 4 4 A C3' C . . 1 1 4 4 A O3' O . . 1 1 5 5 P5P P P . -170.0 -100.0 . . . A . 4 A C4' . . A . 4 A C3' . . A . 4 A O3' . . A . 5 P5P P . 1 . 4 A C4' . . . 1 . 4 A C3' . . . 1 . 4 A O3' . . . 1 . 5 PUR P . . rr_1mv2 1
73 . . 1 1 5 5 P5P C4' C . . 1 1 5 5 P5P C3' C . . 1 1 5 5 P5P O3' O . . 1 1 6 6 G P P . -170.0 -100.0 . . . A . 5 P5P C4' . . A . 5 P5P C3' . . A . 5 P5P O3' . . A . 6 G P . 1 . 5 PUR C4' . . . 1 . 5 PUR C3' . . . 1 . 5 PUR O3' . . . 1 . 6 G P . . rr_1mv2 1
74 . . 1 1 6 6 G C4' C . . 1 1 6 6 G C3' C . . 1 1 6 6 G O3' O . . 1 1 7 7 C P P . -170.0 -100.0 . . . A . 6 G C4' . . A . 6 G C3' . . A . 6 G O3' . . A . 7 C P . 1 . 6 G C4' . . . 1 . 6 G C3' . . . 1 . 6 G O3' . . . 1 . 7 C P . . rr_1mv2 1
75 . . 1 1 7 7 C C4' C . . 1 1 7 7 C C3' C . . 1 1 7 7 C O3' O . . 1 1 8 8 C P P . -170.0 -100.0 . . . A . 7 C C4' . . A . 7 C C3' . . A . 7 C O3' . . A . 8 C P . 1 . 7 C C4' . . . 1 . 7 C C3' . . . 1 . 7 C O3' . . . 1 . 8 C P . . rr_1mv2 1
76 . . 1 1 8 8 C C4' C . . 1 1 8 8 C C3' C . . 1 1 8 8 C O3' O . . 1 1 9 9 U P P . -170.0 -100.0 . . . A . 8 C C4' . . A . 8 C C3' . . A . 8 C O3' . . A . 9 U P . 1 . 8 C C4' . . . 1 . 8 C C3' . . . 1 . 8 C O3' . . . 1 . 9 U3' P . . rr_1mv2 1
77 . . 2 1 1 1 G C4' C . . 2 1 1 1 G C3' C . . 2 1 1 1 G O3' O . . 2 1 2 2 G P P . -170.0 -100.0 . . . B . 1 G C4' . . B . 1 G C3' . . B . 1 G O3' . . B . 2 G P . B . 1 G5' C4' . . . B . 1 G5' C3' . . . B . 1 G5' O3' . . . B . 2 G P . . rr_1mv2 1
78 . . 2 1 2 2 G C4' C . . 2 1 2 2 G C3' C . . 2 1 2 2 G O3' O . . 2 1 3 3 C P P . -170.0 -100.0 . . . B . 2 G C4' . . B . 2 G C3' . . B . 2 G O3' . . B . 3 C P . B . 2 G C4' . . . B . 2 G C3' . . . B . 2 G O3' . . . B . 3 C P . . rr_1mv2 1
79 . . 2 1 3 3 C C4' C . . 2 1 3 3 C C3' C . . 2 1 3 3 C O3' O . . 2 1 4 4 A P P . -170.0 -100.0 . . . B . 3 C C4' . . B . 3 C C3' . . B . 3 C O3' . . B . 4 A P . B . 3 C C4' . . . B . 3 C C3' . . . B . 3 C O3' . . . B . 4 A P . . rr_1mv2 1
80 . . 2 1 4 4 A C4' C . . 2 1 4 4 A C3' C . . 2 1 4 4 A O3' O . . 2 1 5 5 P5P P P . -170.0 -100.0 . . . B . 4 A C4' . . B . 4 A C3' . . B . 4 A O3' . . B . 5 P5P P . B . 4 A C4' . . . B . 4 A C3' . . . B . 4 A O3' . . . B . 5 PUR P . . rr_1mv2 1
81 . . 2 1 5 5 P5P C4' C . . 2 1 5 5 P5P C3' C . . 2 1 5 5 P5P O3' O . . 2 1 6 6 G P P . -170.0 -100.0 . . . B . 5 P5P C4' . . B . 5 P5P C3' . . B . 5 P5P O3' . . B . 6 G P . B . 5 PUR C4' . . . B . 5 PUR C3' . . . B . 5 PUR O3' . . . B . 6 G P . . rr_1mv2 1
82 . . 2 1 6 6 G C4' C . . 2 1 6 6 G C3' C . . 2 1 6 6 G O3' O . . 2 1 7 7 C P P . -170.0 -100.0 . . . B . 6 G C4' . . B . 6 G C3' . . B . 6 G O3' . . B . 7 C P . B . 6 G C4' . . . B . 6 G C3' . . . B . 6 G O3' . . . B . 7 C P . . rr_1mv2 1
83 . . 2 1 7 7 C C4' C . . 2 1 7 7 C C3' C . . 2 1 7 7 C O3' O . . 2 1 8 8 C P P . -170.0 -100.0 . . . B . 7 C C4' . . B . 7 C C3' . . B . 7 C O3' . . B . 8 C P . B . 7 C C4' . . . B . 7 C C3' . . . B . 7 C O3' . . . B . 8 C P . . rr_1mv2 1
84 . . 2 1 8 8 C C4' C . . 2 1 8 8 C C3' C . . 2 1 8 8 C O3' O . . 2 1 9 9 U P P . -170.0 -100.0 . . . B . 8 C C4' . . B . 8 C C3' . . B . 8 C O3' . . B . 9 U P . B . 8 C C4' . . . B . 8 C C3' . . . B . 8 C O3' . . . B . 9 U3' P . . rr_1mv2 1
85 . . 1 1 1 1 G C3' C . . 1 1 1 1 G O3' O . . 1 1 2 2 G P P . . 1 1 2 2 G O5' O . -150.0 150.0 . . . A . 1 G C3' . . A . 1 G O3' . . A . 2 G P . . A . 2 G O5' . 1 . 1 G5' C3' . . . 1 . 1 G5' O3' . . . 1 . 2 G P . . . 1 . 2 G O5' . . rr_1mv2 1
86 . . 1 1 2 2 G C3' C . . 1 1 2 2 G O3' O . . 1 1 3 3 C P P . . 1 1 3 3 C O5' O . -150.0 150.0 . . . A . 2 G C3' . . A . 2 G O3' . . A . 3 C P . . A . 3 C O5' . 1 . 2 G C3' . . . 1 . 2 G O3' . . . 1 . 3 C P . . . 1 . 3 C O5' . . rr_1mv2 1
87 . . 1 1 3 3 C C3' C . . 1 1 3 3 C O3' O . . 1 1 4 4 A P P . . 1 1 4 4 A O5' O . -150.0 150.0 . . . A . 3 C C3' . . A . 3 C O3' . . A . 4 A P . . A . 4 A O5' . 1 . 3 C C3' . . . 1 . 3 C O3' . . . 1 . 4 A P . . . 1 . 4 A O5' . . rr_1mv2 1
88 . . 1 1 4 4 A C3' C . . 1 1 4 4 A O3' O . . 1 1 5 5 P5P P P . . 1 1 5 5 P5P O5' O . -150.0 150.0 . . . A . 4 A C3' . . A . 4 A O3' . . A . 5 P5P P . . A . 5 P5P O5' . 1 . 4 A C3' . . . 1 . 4 A O3' . . . 1 . 5 PUR P . . . 1 . 5 PUR O5' . . rr_1mv2 1
89 . . 1 1 5 5 P5P C3' C . . 1 1 5 5 P5P O3' O . . 1 1 6 6 G P P . . 1 1 6 6 G O5' O . -150.0 150.0 . . . A . 5 P5P C3' . . A . 5 P5P O3' . . A . 6 G P . . A . 6 G O5' . 1 . 5 PUR C3' . . . 1 . 5 PUR O3' . . . 1 . 6 G P . . . 1 . 6 G O5' . . rr_1mv2 1
90 . . 1 1 6 6 G C3' C . . 1 1 6 6 G O3' O . . 1 1 7 7 C P P . . 1 1 7 7 C O5' O . -150.0 150.0 . . . A . 6 G C3' . . A . 6 G O3' . . A . 7 C P . . A . 7 C O5' . 1 . 6 G C3' . . . 1 . 6 G O3' . . . 1 . 7 C P . . . 1 . 7 C O5' . . rr_1mv2 1
91 . . 1 1 7 7 C C3' C . . 1 1 7 7 C O3' O . . 1 1 8 8 C P P . . 1 1 8 8 C O5' O . -150.0 150.0 . . . A . 7 C C3' . . A . 7 C O3' . . A . 8 C P . . A . 8 C O5' . 1 . 7 C C3' . . . 1 . 7 C O3' . . . 1 . 8 C P . . . 1 . 8 C O5' . . rr_1mv2 1
92 . . 1 1 8 8 C C3' C . . 1 1 8 8 C O3' O . . 1 1 9 9 U P P . . 1 1 9 9 U O5' O . -150.0 150.0 . . . A . 8 C C3' . . A . 8 C O3' . . A . 9 U P . . A . 9 U O5' . 1 . 8 C C3' . . . 1 . 8 C O3' . . . 1 . 9 U3' P . . . 1 . 9 U3' O5' . . rr_1mv2 1
93 . . 2 1 1 1 G C3' C . . 2 1 1 1 G O3' O . . 2 1 2 2 G P P . . 2 1 2 2 G O5' O . -150.0 150.0 . . . B . 1 G C3' . . B . 1 G O3' . . B . 2 G P . . B . 2 G O5' . B . 1 G5' C3' . . . B . 1 G5' O3' . . . B . 2 G P . . . B . 2 G O5' . . rr_1mv2 1
94 . . 2 1 2 2 G C3' C . . 2 1 2 2 G O3' O . . 2 1 3 3 C P P . . 2 1 3 3 C O5' O . -150.0 150.0 . . . B . 2 G C3' . . B . 2 G O3' . . B . 3 C P . . B . 3 C O5' . B . 2 G C3' . . . B . 2 G O3' . . . B . 3 C P . . . B . 3 C O5' . . rr_1mv2 1
95 . . 2 1 3 3 C C3' C . . 2 1 3 3 C O3' O . . 2 1 4 4 A P P . . 2 1 4 4 A O5' O . -150.0 150.0 . . . B . 3 C C3' . . B . 3 C O3' . . B . 4 A P . . B . 4 A O5' . B . 3 C C3' . . . B . 3 C O3' . . . B . 4 A P . . . B . 4 A O5' . . rr_1mv2 1
96 . . 2 1 4 4 A C3' C . . 2 1 4 4 A O3' O . . 2 1 5 5 P5P P P . . 2 1 5 5 P5P O5' O . -150.0 150.0 . . . B . 4 A C3' . . B . 4 A O3' . . B . 5 P5P P . . B . 5 P5P O5' . B . 4 A C3' . . . B . 4 A O3' . . . B . 5 PUR P . . . B . 5 PUR O5' . . rr_1mv2 1
97 . . 2 1 5 5 P5P C3' C . . 2 1 5 5 P5P O3' O . . 2 1 6 6 G P P . . 2 1 6 6 G O5' O . -150.0 150.0 . . . B . 5 P5P C3' . . B . 5 P5P O3' . . B . 6 G P . . B . 6 G O5' . B . 5 PUR C3' . . . B . 5 PUR O3' . . . B . 6 G P . . . B . 6 G O5' . . rr_1mv2 1
98 . . 2 1 6 6 G C3' C . . 2 1 6 6 G O3' O . . 2 1 7 7 C P P . . 2 1 7 7 C O5' O . -150.0 150.0 . . . B . 6 G C3' . . B . 6 G O3' . . B . 7 C P . . B . 7 C O5' . B . 6 G C3' . . . B . 6 G O3' . . . B . 7 C P . . . B . 7 C O5' . . rr_1mv2 1
99 . . 2 1 7 7 C C3' C . . 2 1 7 7 C O3' O . . 2 1 8 8 C P P . . 2 1 8 8 C O5' O . -150.0 150.0 . . . B . 7 C C3' . . B . 7 C O3' . . B . 8 C P . . B . 8 C O5' . B . 7 C C3' . . . B . 7 C O3' . . . B . 8 C P . . . B . 8 C O5' . . rr_1mv2 1
100 . . 2 1 8 8 C C3' C . . 2 1 8 8 C O3' O . . 2 1 9 9 U P P . . 2 1 9 9 U O5' O . -150.0 150.0 . . . B . 8 C C3' . . B . 8 C O3' . . B . 9 U P . . B . 9 U O5' . B . 8 C C3' . . . B . 8 C O3' . . . B . 9 U3' P . . . B . 9 U3' O5' . . rr_1mv2 1
101 . . 1 1 1 1 G O4' O . . 1 1 1 1 G C1' C . . 1 1 1 1 G N9 N . . 1 1 1 1 G C4 C . 150.0 210.0 . . . A . 1 G O4' . . A . 1 G C1' . . A . 1 G N9 . . A . 1 G C4 . 1 . 1 G5' O4' . . . 1 . 1 G5' C1' . . . 1 . 1 G5' N9 . . . 1 . 1 G5' C4 . . rr_1mv2 1
102 . . 1 1 2 2 G O4' O . . 1 1 2 2 G C1' C . . 1 1 2 2 G N9 N . . 1 1 2 2 G C4 C . 150.0 210.0 . . . A . 2 G O4' . . A . 2 G C1' . . A . 2 G N9 . . A . 2 G C4 . 1 . 2 G O4' . . . 1 . 2 G C1' . . . 1 . 2 G N9 . . . 1 . 2 G C4 . . rr_1mv2 1
103 . . 1 1 3 3 C O4' O . . 1 1 3 3 C C1' C . . 1 1 3 3 C N1 N . . 1 1 3 3 C C2 C . 150.0 210.0 . . . A . 3 C O4' . . A . 3 C C1' . . A . 3 C N1 . . A . 3 C C2 . 1 . 3 C O4' . . . 1 . 3 C C1' . . . 1 . 3 C N1 . . . 1 . 3 C C2 . . rr_1mv2 1
104 . . 1 1 4 4 A O4' O . . 1 1 4 4 A C1' C . . 1 1 4 4 A N9 N . . 1 1 4 4 A C4 C . 150.0 210.0 . . . A . 4 A O4' . . A . 4 A C1' . . A . 4 A N9 . . A . 4 A C4 . 1 . 4 A O4' . . . 1 . 4 A C1' . . . 1 . 4 A N9 . . . 1 . 4 A C4 . . rr_1mv2 1
105 . . 1 1 5 5 P5P O4' O . . 1 1 5 5 P5P C1' C . . 1 1 5 5 P5P N9 N . . 1 1 5 5 P5P C4 C . 150.0 210.0 . . . A . 5 P5P O4' . . A . 5 P5P C1' . . A . 5 P5P N9 . . A . 5 P5P C4 . 1 . 5 PUR O4' . . . 1 . 5 PUR C1' . . . 1 . 5 PUR N9 . . . 1 . 5 PUR C4 . . rr_1mv2 1
106 . . 1 1 6 6 G O4' O . . 1 1 6 6 G C1' C . . 1 1 6 6 G N9 N . . 1 1 6 6 G C4 C . 150.0 210.0 . . . A . 6 G O4' . . A . 6 G C1' . . A . 6 G N9 . . A . 6 G C4 . 1 . 6 G O4' . . . 1 . 6 G C1' . . . 1 . 6 G N9 . . . 1 . 6 G C4 . . rr_1mv2 1
107 . . 1 1 7 7 C O4' O . . 1 1 7 7 C C1' C . . 1 1 7 7 C N1 N . . 1 1 7 7 C C2 C . 150.0 210.0 . . . A . 7 C O4' . . A . 7 C C1' . . A . 7 C N1 . . A . 7 C C2 . 1 . 7 C O4' . . . 1 . 7 C C1' . . . 1 . 7 C N1 . . . 1 . 7 C C2 . . rr_1mv2 1
108 . . 1 1 8 8 C O4' O . . 1 1 8 8 C C1' C . . 1 1 8 8 C N1 N . . 1 1 8 8 C C2 C . 150.0 210.0 . . . A . 8 C O4' . . A . 8 C C1' . . A . 8 C N1 . . A . 8 C C2 . 1 . 8 C O4' . . . 1 . 8 C C1' . . . 1 . 8 C N1 . . . 1 . 8 C C2 . . rr_1mv2 1
109 . . 1 1 9 9 U O4' O . . 1 1 9 9 U C1' C . . 1 1 9 9 U N1 N . . 1 1 9 9 U C2 C . 150.0 210.0 . . . A . 9 U O4' . . A . 9 U C1' . . A . 9 U N1 . . A . 9 U C2 . 1 . 9 U3' O4' . . . 1 . 9 U3' C1' . . . 1 . 9 U3' N1 . . . 1 . 9 U3' C2 . . rr_1mv2 1
110 . . 2 1 1 1 G O4' O . . 2 1 1 1 G C1' C . . 2 1 1 1 G N9 N . . 2 1 1 1 G C4 C . 150.0 210.0 . . . B . 1 G O4' . . B . 1 G C1' . . B . 1 G N9 . . B . 1 G C4 . B . 1 G5' O4' . . . B . 1 G5' C1' . . . B . 1 G5' N9 . . . B . 1 G5' C4 . . rr_1mv2 1
111 . . 2 1 2 2 G O4' O . . 2 1 2 2 G C1' C . . 2 1 2 2 G N9 N . . 2 1 2 2 G C4 C . 150.0 210.0 . . . B . 2 G O4' . . B . 2 G C1' . . B . 2 G N9 . . B . 2 G C4 . B . 2 G O4' . . . B . 2 G C1' . . . B . 2 G N9 . . . B . 2 G C4 . . rr_1mv2 1
112 . . 2 1 3 3 C O4' O . . 2 1 3 3 C C1' C . . 2 1 3 3 C N1 N . . 2 1 3 3 C C2 C . 150.0 210.0 . . . B . 3 C O4' . . B . 3 C C1' . . B . 3 C N1 . . B . 3 C C2 . B . 3 C O4' . . . B . 3 C C1' . . . B . 3 C N1 . . . B . 3 C C2 . . rr_1mv2 1
113 . . 2 1 4 4 A O4' O . . 2 1 4 4 A C1' C . . 2 1 4 4 A N9 N . . 2 1 4 4 A C4 C . 150.0 210.0 . . . B . 4 A O4' . . B . 4 A C1' . . B . 4 A N9 . . B . 4 A C4 . B . 4 A O4' . . . B . 4 A C1' . . . B . 4 A N9 . . . B . 4 A C4 . . rr_1mv2 1
114 . . 2 1 5 5 P5P O4' O . . 2 1 5 5 P5P C1' C . . 2 1 5 5 P5P N9 N . . 2 1 5 5 P5P C4 C . 150.0 210.0 . . . B . 5 P5P O4' . . B . 5 P5P C1' . . B . 5 P5P N9 . . B . 5 P5P C4 . B . 5 PUR O4' . . . B . 5 PUR C1' . . . B . 5 PUR N9 . . . B . 5 PUR C4 . . rr_1mv2 1
115 . . 2 1 6 6 G O4' O . . 2 1 6 6 G C1' C . . 2 1 6 6 G N9 N . . 2 1 6 6 G C4 C . 150.0 210.0 . . . B . 6 G O4' . . B . 6 G C1' . . B . 6 G N9 . . B . 6 G C4 . B . 6 G O4' . . . B . 6 G C1' . . . B . 6 G N9 . . . B . 6 G C4 . . rr_1mv2 1
116 . . 2 1 7 7 C O4' O . . 2 1 7 7 C C1' C . . 2 1 7 7 C N1 N . . 2 1 7 7 C C2 C . 150.0 210.0 . . . B . 7 C O4' . . B . 7 C C1' . . B . 7 C N1 . . B . 7 C C2 . B . 7 C O4' . . . B . 7 C C1' . . . B . 7 C N1 . . . B . 7 C C2 . . rr_1mv2 1
117 . . 2 1 8 8 C O4' O . . 2 1 8 8 C C1' C . . 2 1 8 8 C N1 N . . 2 1 8 8 C C2 C . 150.0 210.0 . . . B . 8 C O4' . . B . 8 C C1' . . B . 8 C N1 . . B . 8 C C2 . B . 8 C O4' . . . B . 8 C C1' . . . B . 8 C N1 . . . B . 8 C C2 . . rr_1mv2 1
118 . . 2 1 9 9 U O4' O . . 2 1 9 9 U C1' C . . 2 1 9 9 U N1 N . . 2 1 9 9 U C2 C . 150.0 210.0 . . . B . 9 U O4' . . B . 9 U C1' . . B . 9 U N1 . . B . 9 U C2 . B . 9 U3' O4' . . . B . 9 U3' C1' . . . B . 9 U3' N1 . . . B . 9 U3' C2 . . rr_1mv2 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 RESTRAINTS
********************************************** (From Mark who got them from Chen) NMR_dihedral
alpha P-O5'; first strand
;
1 1 9 1 rr_1mv2 1
2 "alpha P-O5'; second strand" 18 1 20 1 rr_1mv2 1
3 "beta O5'-C5'; first strand" 29 1 32 1 rr_1mv2 1
4 "beta O5'-C5'; second strand" 41 1 43 1 rr_1mv2 1
5 "gamma C5'-C4'; first strand" 52 1 55 1 rr_1mv2 1
6 "gamma C5'-C4'; second strand" 65 1 67 1 rr_1mv2 1
7 "delta C4'-C3'; first strand" 77 1 80 1 rr_1mv2 1
8 "delta C4'-C3'; second strand" 90 1 92 1 rr_1mv2 1
9 "epsilon C3'-O3'; first strand" 102 1 105 1 rr_1mv2 1
10 "epsilon C3'-O3'; second strand" 114 1 116 1 rr_1mv2 1
11 "zeta O3'-P; first strand" 125 1 128 1 rr_1mv2 1
12 "zeta O3'-P; second strand" 137 1 139 1 rr_1mv2 1
13 "chi Glycosidic torsions; strand 1" 148 1 151 1 rr_1mv2 1
14 "chi Glycosidic torsions; strand 2" 161 1 163 1 rr_1mv2 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_1mv2
_Org_constr_file_comment.ID 1
_Org_constr_file_comment.Constraint_file_ID 1
_Org_constr_file_comment.Block_ID 1
_Org_constr_file_comment.Details "Generated by Wattos"
_Org_constr_file_comment.Comment "*HEADER RNA 24-SEP-02 1MV2 *TITLE THE TANDEM, FACE-TO-FACE AP PAIRS IN 5'(RGGCAPGCCU)2 *COMPND MOL_ID: 1; *COMPND 2 MOLECULE: 5'-R(*GP*GP*CP*AP*(P5P)P*GP*CP*CP*U)-3'; *COMPND 3 CHAIN: A, B; *COMPND 4 ENGINEERED: YES *SOURCE MOL_ID: 1; *SOURCE 2 SYNTHETIC: YES *KEYWDS RIBONUCLEIC ACID, DUPLEX, TANDEM MISMATCH, PURINE *EXPDTA NMR *AUTHOR B.M.ZNOSKO, M.E.BURKARD, T.R.KRUGH, D.H.TURNER *REVDAT 1 18-DEC-02 1MV2 0"
save_
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