NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | item_count |
|
|
389666 |
1ntt   |
5777 | cing | 3-converted-DOCR | STAR | entry | full | 202 |
data_DOCR_restraints_with_modified_coordinates_PDB_code_1ntt
# This DOCR archive file contains, for PDB entry <1ntt>:
#
# - 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_1ntt
_Entry.Title "wwPDB remediated NMR restraints for PDB entry 1ntt"
_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 1ntt"
save_
save_assembly
_Assembly.Sf_category assembly
_Assembly.Sf_framecode assembly
_Assembly.Entry_ID rr_1ntt
_Assembly.ID 1
_Assembly.Name 1ntt
_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 5439.63366
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 AP AP AP GP GP AP GP GP A 3" 1 $5__R__AP_AP_AP_GP_GP_AP_GP_GP_A__3_ A . no . . . . . . rr_1ntt 1
2 "5 D CP 5PC P PDU P 5PC P 5PC P PDU P PDU 3" 2 $5__D__CP__5PC_P__PDU_P__5PC_P__5PC_P__PDU_P__PDU___3_ B . no . . . . . . rr_1ntt 1
stop_
save_
save_5__R__AP_AP_AP_GP_GP_AP_GP_GP_A__3_
_Entity.Sf_category entity
_Entity.Sf_framecode 5__R__AP_AP_AP_GP_GP_AP_GP_GP_A__3_
_Entity.Entry_ID rr_1ntt
_Entity.ID 1
_Entity.Name 5__R__AP_AP_AP_GP_GP_AP_GP_GP_A__3_
_Entity.Type polymer
_Entity.Polymer_type polyribonucleotide
_Entity.Polymer_strand_ID A
_Entity.Polymer_seq_one_letter_code AAAGGAGGA
_Entity.Ambiguous_conformational_states no
_Entity.Ambiguous_chem_comp_sites no
_Entity.Nstd_monomer no
_Entity.Nstd_chirality yes
_Entity.Nstd_linkage no
_Entity.Number_of_monomers 9
_Entity.Paramagnetic no
_Entity.Thiol_state "not present"
_Entity.Parent_entity_ID 1
_Entity.Formula_weight 3045.89684
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 . A . rr_1ntt 1
2 . A . rr_1ntt 1
3 . A . rr_1ntt 1
4 . G . rr_1ntt 1
5 . G . rr_1ntt 1
6 . A . rr_1ntt 1
7 . G . rr_1ntt 1
8 . G . rr_1ntt 1
9 . A . rr_1ntt 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
. A 1 1 rr_1ntt 1
. A 2 2 rr_1ntt 1
. A 3 3 rr_1ntt 1
. G 4 4 rr_1ntt 1
. G 5 5 rr_1ntt 1
. A 6 6 rr_1ntt 1
. G 7 7 rr_1ntt 1
. G 8 8 rr_1ntt 1
. A 9 9 rr_1ntt 1
stop_
save_
save_5__D__CP__5PC_P__PDU_P__5PC_P__5PC_P__PDU_P__PDU___3_
_Entity.Sf_category entity
_Entity.Sf_framecode 5__D__CP__5PC_P__PDU_P__5PC_P__5PC_P__PDU_P__PDU___3_
_Entity.Entry_ID rr_1ntt
_Entity.ID 2
_Entity.Name 5__D__CP__5PC_P__PDU_P__5PC_P__5PC_P__PDU_P__PDU___3_
_Entity.Type non-polymer
_Entity.Ambiguous_conformational_states no
_Entity.Ambiguous_chem_comp_sites no
_Entity.Nstd_chirality yes
_Entity.Nstd_linkage yes
_Entity.Nonpolymer_comp_ID DC
_Entity.Nonpolymer_comp_label $chem_comp_DC
_Entity.Number_of_monomers 7
_Entity.Paramagnetic no
_Entity.Thiol_state "not present"
_Entity.Parent_entity_ID 2
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 . DC . rr_1ntt 2
2 . 5PC . rr_1ntt 2
3 . PDU . rr_1ntt 2
4 . 5PC . rr_1ntt 2
5 . 5PC . rr_1ntt 2
6 . PDU . rr_1ntt 2
7 . PDU . rr_1ntt 2
stop_
save_
save_chem_comp_5PC
_Chem_comp.Sf_category chem_comp
_Chem_comp.Sf_framecode chem_comp_5PC
_Chem_comp.Entry_ID rr_1ntt
_Chem_comp.ID 5PC
_Chem_comp.Name 5(1-PROPYNYL)-2'-DEOXYCYTIDINE-5'-MONOPHOSPHATE
_Chem_comp.Type non-polymer
_Chem_comp.PDB_code 5PC
_Chem_comp.Formal_charge 0
_Chem_comp.Paramagnetic no
_Chem_comp.Aromatic no
_Chem_comp.Formula "C12 H16 N3 O7 P"
_Chem_comp.Formula_weight 345.24806
save_
save_chem_comp_PDU
_Chem_comp.Sf_category chem_comp
_Chem_comp.Sf_framecode chem_comp_PDU
_Chem_comp.Entry_ID rr_1ntt
_Chem_comp.ID PDU
_Chem_comp.Name 5(1-PROPYNYL)-2'-DEOXYURIDINE-5-MONOPHOSPHATE
_Chem_comp.Type non-polymer
_Chem_comp.PDB_code PDU
_Chem_comp.Formal_charge 0
_Chem_comp.Paramagnetic no
_Chem_comp.Aromatic no
_Chem_comp.Formula "C12 H19 N2 O8 P"
_Chem_comp.Formula_weight 350.26446
save_
save_conformer_statistics
_Conformer_stat_list.Sf_category conformer_statistics
_Conformer_stat_list.Sf_framecode conformer_statistics
_Conformer_stat_list.Entry_ID rr_1ntt
_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_1ntt
_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_1ntt 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_1ntt 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 A C1' C 5.031 -6.555 13.869 . . . 1.0 . . . . . . . . . . . . A . 2 A C1' . . . . . . . . . rr_1ntt 1
. 1 . 2 . 1 1 1 A C2 C 0.652 -8.048 13.454 . . . 1.0 . . . . . . . . . . . . A . 2 A C2 . . . . . . . . . rr_1ntt 1
. 1 . 3 . 1 1 1 A C2' C 5.563 -7.498 12.768 . . . 1.0 . . . . . . . . . . . . A . 2 A C2' . . . . . . . . . rr_1ntt 1
. 1 . 4 . 1 1 1 A C3' C 6.650 -6.675 12.075 . . . 1.0 . . . . . . . . . . . . A . 2 A C3' . . . . . . . . . rr_1ntt 1
. 1 . 5 . 1 1 1 A C4 C 2.444 -6.526 13.457 . . . 1.0 . . . . . . . . . . . . A . 2 A C4 . . . . . . . . . rr_1ntt 1
. 1 . 6 . 1 1 1 A C4' C 7.173 -5.797 13.220 . . . 1.0 . . . . . . . . . . . . A . 2 A C4' . . . . . . . . . rr_1ntt 1
. 1 . 7 . 1 1 1 A C5 C 1.451 -5.462 13.336 . . . 1.0 . . . . . . . . . . . . A . 2 A C5 . . . . . . . . . rr_1ntt 1
. 1 . 8 . 1 1 1 A C5' C 7.821 -4.475 12.771 . . . 1.0 . . . . . . . . . . . . A . 2 A C5' . . . . . . . . . rr_1ntt 1
. 1 . 9 . 1 1 1 A C6 C 0.055 -5.851 13.304 . . . 1.0 . . . . . . . . . . . . A . 2 A C6 . . . . . . . . . rr_1ntt 1
. 1 . 10 . 1 1 1 A C8 C 3.342 -4.599 13.393 . . . 1.0 . . . . . . . . . . . . A . 2 A C8 . . . . . . . . . rr_1ntt 1
. 1 . 11 . 1 1 1 A H1' H 4.912 -7.119 14.814 . . . 1.0 . . . . . . . . . . . . A . 2 A H1' . . . . . . . . . rr_1ntt 1
. 1 . 12 . 1 1 1 A H2 H 0.296 -9.068 13.481 . . . 1.0 . . . . . . . . . . . . A . 2 A H2 . . . . . . . . . rr_1ntt 1
. 1 . 13 . 1 1 1 A H2' H 4.784 -7.812 12.050 . . . 1.0 . . . . . . . . . . . . A . 2 A H2' . . . . . . . . . rr_1ntt 1
. 1 . 14 . 1 1 1 A H3' H 6.187 -6.041 11.292 . . . 1.0 . . . . . . . . . . . . A . 2 A H3' . . . . . . . . . rr_1ntt 1
. 1 . 15 . 1 1 1 A H4' H 7.917 -6.374 13.803 . . . 1.0 . . . . . . . . . . . . A . 2 A H4' . . . . . . . . . rr_1ntt 1
. 1 . 16 . 1 1 1 A H5' H 8.283 -3.969 13.639 . . . 1.0 . . . . . . . . . . . . A . 2 A H5' . . . . . . . . . rr_1ntt 1
. 1 . 17 . 1 1 1 A H5'' H 8.640 -4.667 12.051 . . . 1.0 . . . . . . . . . . . . A . 2 A H5'' . . . . . . . . . rr_1ntt 1
. 1 . 18 . 1 1 1 A H61 H -1.876 -5.325 13.191 . . . 1.0 . . . . . . . . . . . . A . 2 A H61 . . . . . . . . . rr_1ntt 1
. 1 . 19 . 1 1 1 A H62 H -0.634 -3.970 13.155 . . . 1.0 . . . . . . . . . . . . A . 2 A H62 . . . . . . . . . rr_1ntt 1
. 1 . 20 . 1 1 1 A H8 H 4.105 -3.835 13.421 . . . 1.0 . . . . . . . . . . . . A . 2 A H8 . . . . . . . . . rr_1ntt 1
. 1 . 21 . 1 1 1 A HO2' H 6.893 -8.864 12.789 . . . 1.0 . . . . . . . . . . . . A . 2 A HO2' . . . . . . . . . rr_1ntt 1
. 1 . 22 . 1 1 1 A HO5' H 6.077 -3.679 12.737 . . . 1.0 . . . . . . . . . . . . A . 2 A HO5' . . . . . . . . . rr_1ntt 1
. 1 . 23 . 1 1 1 A N1 N -0.282 -7.125 13.363 . . . 1.0 . . . . . . . . . . . . A . 2 A N1 . . . . . . . . . rr_1ntt 1
. 1 . 24 . 1 1 1 A N3 N 1.951 -7.905 13.513 . . . 1.0 . . . . . . . . . . . . A . 2 A N3 . . . . . . . . . rr_1ntt 1
. 1 . 25 . 1 1 1 A N6 N -0.921 -4.954 13.217 . . . 1.0 . . . . . . . . . . . . A . 2 A N6 . . . . . . . . . rr_1ntt 1
. 1 . 26 . 1 1 1 A N7 N 2.027 -4.200 13.285 . . . 1.0 . . . . . . . . . . . . A . 2 A N7 . . . . . . . . . rr_1ntt 1
. 1 . 27 . 1 1 1 A N9 N 3.708 -5.937 13.517 . . . 1.0 . . . . . . . . . . . . A . 2 A N9 . . . . . . . . . rr_1ntt 1
. 1 . 28 . 1 1 1 A O2' O 6.139 -8.663 13.353 . . . 1.0 . . . . . . . . . . . . A . 2 A O2' . . . . . . . . . rr_1ntt 1
. 1 . 29 . 1 1 1 A O3' O 7.699 -7.506 11.536 . . . 1.0 . . . . . . . . . . . . A . 2 A O3' . . . . . . . . . rr_1ntt 1
. 1 . 30 . 1 1 1 A O4' O 6.039 -5.536 14.066 . . . 1.0 . . . . . . . . . . . . A . 2 A O4' . . . . . . . . . rr_1ntt 1
. 1 . 31 . 1 1 1 A O5' O 6.856 -3.610 12.181 . . . 1.0 . . . . . . . . . . . . A . 2 A O5' . . . . . . . . . rr_1ntt 1
. 1 . 32 . 1 1 2 A C1' C 3.078 -9.260 9.703 . . . 1.0 . . . . . . . . . . . . A . 3 A C1' . . . . . . . . . rr_1ntt 1
. 1 . 33 . 1 1 2 A C2 C -0.601 -6.457 9.752 . . . 1.0 . . . . . . . . . . . . A . 3 A C2 . . . . . . . . . rr_1ntt 1
. 1 . 34 . 1 1 2 A C2' C 3.027 -9.911 8.313 . . . 1.0 . . . . . . . . . . . . A . 3 A C2' . . . . . . . . . rr_1ntt 1
. 1 . 35 . 1 1 2 A C3' C 4.501 -9.990 7.909 . . . 1.0 . . . . . . . . . . . . A . 3 A C3' . . . . . . . . . rr_1ntt 1
. 1 . 36 . 1 1 2 A C4 C 1.664 -7.069 9.685 . . . 1.0 . . . . . . . . . . . . A . 3 A C4 . . . . . . . . . rr_1ntt 1
. 1 . 37 . 1 1 2 A C4' C 5.169 -10.271 9.265 . . . 1.0 . . . . . . . . . . . . A . 3 A C4' . . . . . . . . . rr_1ntt 1
. 1 . 38 . 1 1 2 A C5 C 1.983 -5.645 9.662 . . . 1.0 . . . . . . . . . . . . A . 3 A C5 . . . . . . . . . rr_1ntt 1
. 1 . 39 . 1 1 2 A C5' C 6.647 -9.858 9.380 . . . 1.0 . . . . . . . . . . . . A . 3 A C5' . . . . . . . . . rr_1ntt 1
. 1 . 40 . 1 1 2 A C6 C 0.875 -4.715 9.711 . . . 1.0 . . . . . . . . . . . . A . 3 A C6 . . . . . . . . . rr_1ntt 1
. 1 . 41 . 1 1 2 A C8 C 3.757 -6.721 9.563 . . . 1.0 . . . . . . . . . . . . A . 3 A C8 . . . . . . . . . rr_1ntt 1
. 1 . 42 . 1 1 2 A H1' H 2.293 -9.705 10.339 . . . 1.0 . . . . . . . . . . . . A . 3 A H1' . . . . . . . . . rr_1ntt 1
. 1 . 43 . 1 1 2 A H2 H -1.644 -6.740 9.752 . . . 1.0 . . . . . . . . . . . . A . 3 A H2 . . . . . . . . . rr_1ntt 1
. 1 . 44 . 1 1 2 A H2' H 2.438 -9.331 7.584 . . . 1.0 . . . . . . . . . . . . A . 3 A H2' . . . . . . . . . rr_1ntt 1
. 1 . 45 . 1 1 2 A H3' H 4.837 -9.008 7.518 . . . 1.0 . . . . . . . . . . . . A . 3 A H3' . . . . . . . . . rr_1ntt 1
. 1 . 46 . 1 1 2 A H4' H 5.099 -11.356 9.475 . . . 1.0 . . . . . . . . . . . . A . 3 A H4' . . . . . . . . . rr_1ntt 1
. 1 . 47 . 1 1 2 A H5' H 7.036 -10.184 10.363 . . . 1.0 . . . . . . . . . . . . A . 3 A H5' . . . . . . . . . rr_1ntt 1
. 1 . 48 . 1 1 2 A H5'' H 7.255 -10.386 8.621 . . . 1.0 . . . . . . . . . . . . A . 3 A H5'' . . . . . . . . . rr_1ntt 1
. 1 . 49 . 1 1 2 A H61 H 0.223 -2.812 9.776 . . . 1.0 . . . . . . . . . . . . A . 3 A H61 . . . . . . . . . rr_1ntt 1
. 1 . 50 . 1 1 2 A H62 H 2.037 -3.080 9.695 . . . 1.0 . . . . . . . . . . . . A . 3 A H62 . . . . . . . . . rr_1ntt 1
. 1 . 51 . 1 1 2 A H8 H 4.813 -6.929 9.474 . . . 1.0 . . . . . . . . . . . . A . 3 A H8 . . . . . . . . . rr_1ntt 1
. 1 . 52 . 1 1 2 A HO2' H 2.929 -11.726 7.730 . . . 1.0 . . . . . . . . . . . . A . 3 A HO2' . . . . . . . . . rr_1ntt 1
. 1 . 53 . 1 1 2 A N1 N -0.364 -5.163 9.746 . . . 1.0 . . . . . . . . . . . . A . 3 A N1 . . . . . . . . . rr_1ntt 1
. 1 . 54 . 1 1 2 A N3 N 0.250 -7.448 9.734 . . . 1.0 . . . . . . . . . . . . A . 3 A N3 . . . . . . . . . rr_1ntt 1
. 1 . 55 . 1 1 2 A N6 N 1.063 -3.401 9.732 . . . 1.0 . . . . . . . . . . . . A . 3 A N6 . . . . . . . . . rr_1ntt 1
. 1 . 56 . 1 1 2 A N7 N 3.348 -5.405 9.585 . . . 1.0 . . . . . . . . . . . . A . 3 A N7 . . . . . . . . . rr_1ntt 1
. 1 . 57 . 1 1 2 A N9 N 2.857 -7.779 9.644 . . . 1.0 . . . . . . . . . . . . A . 3 A N9 . . . . . . . . . rr_1ntt 1
. 1 . 58 . 1 1 2 A O2' O 2.476 -11.223 8.413 . . . 1.0 . . . . . . . . . . . . A . 3 A O2' . . . . . . . . . rr_1ntt 1
. 1 . 59 . 1 1 2 A O3' O 4.740 -11.034 6.944 . . . 1.0 . . . . . . . . . . . . A . 3 A O3' . . . . . . . . . rr_1ntt 1
. 1 . 60 . 1 1 2 A O4' O 4.377 -9.574 10.251 . . . 1.0 . . . . . . . . . . . . A . 3 A O4' . . . . . . . . . rr_1ntt 1
. 1 . 61 . 1 1 2 A O5' O 6.814 -8.436 9.224 . . . 1.0 . . . . . . . . . . . . A . 3 A O5' . . . . . . . . . rr_1ntt 1
. 1 . 62 . 1 1 2 A OP1 O 9.335 -8.345 9.748 . . . 1.0 . . . . . . . . . . . . A . 3 A OP1 . . . . . . . . . rr_1ntt 1
. 1 . 63 . 1 1 2 A OP2 O 8.098 -6.210 9.353 . . . 1.0 . . . . . . . . . . . . A . 3 A OP2 . . . . . . . . . rr_1ntt 1
. 1 . 64 . 1 1 2 A P P 8.005 -7.615 9.949 . . . 1.0 . . . . . . . . . . . . A . 3 A P . . . . . . . . . rr_1ntt 1
. 1 . 65 . 1 1 3 A C1' C -0.593 -9.052 5.943 . . . 1.0 . . . . . . . . . . . . A . 4 A C1' . . . . . . . . . rr_1ntt 1
. 1 . 66 . 1 1 3 A C2 C -2.291 -4.780 6.469 . . . 1.0 . . . . . . . . . . . . A . 4 A C2 . . . . . . . . . rr_1ntt 1
. 1 . 67 . 1 1 3 A C2' C -1.066 -9.328 4.502 . . . 1.0 . . . . . . . . . . . . A . 4 A C2' . . . . . . . . . rr_1ntt 1
. 1 . 68 . 1 1 3 A C3' C 0.065 -10.184 3.917 . . . 1.0 . . . . . . . . . . . . A . 4 A C3' . . . . . . . . . rr_1ntt 1
. 1 . 69 . 1 1 3 A C4 C -0.670 -6.457 6.185 . . . 1.0 . . . . . . . . . . . . A . 4 A C4 . . . . . . . . . rr_1ntt 1
. 1 . 70 . 1 1 3 A C4' C 0.518 -10.976 5.149 . . . 1.0 . . . . . . . . . . . . A . 4 A C4' . . . . . . . . . rr_1ntt 1
. 1 . 71 . 1 1 3 A C5 C 0.326 -5.393 6.111 . . . 1.0 . . . . . . . . . . . . A . 4 A C5 . . . . . . . . . rr_1ntt 1
. 1 . 72 . 1 1 3 A C5' C 1.946 -11.550 5.074 . . . 1.0 . . . . . . . . . . . . A . 4 A C5' . . . . . . . . . rr_1ntt 1
. 1 . 73 . 1 1 3 A C6 C -0.147 -4.029 6.236 . . . 1.0 . . . . . . . . . . . . A . 4 A C6 . . . . . . . . . rr_1ntt 1
. 1 . 74 . 1 1 3 A C8 C 1.301 -7.227 5.956 . . . 1.0 . . . . . . . . . . . . A . 4 A C8 . . . . . . . . . rr_1ntt 1
. 1 . 75 . 1 1 3 A H1' H -1.442 -9.140 6.649 . . . 1.0 . . . . . . . . . . . . A . 4 A H1' . . . . . . . . . rr_1ntt 1
. 1 . 76 . 1 1 3 A H2 H -3.324 -4.494 6.602 . . . 1.0 . . . . . . . . . . . . A . 4 A H2 . . . . . . . . . rr_1ntt 1
. 1 . 77 . 1 1 3 A H2' H -1.201 -8.407 3.909 . . . 1.0 . . . . . . . . . . . . A . 4 A H2' . . . . . . . . . rr_1ntt 1
. 1 . 78 . 1 1 3 A H3' H 0.890 -9.525 3.575 . . . 1.0 . . . . . . . . . . . . A . 4 A H3' . . . . . . . . . rr_1ntt 1
. 1 . 79 . 1 1 3 A H4' H -0.183 -11.819 5.302 . . . 1.0 . . . . . . . . . . . . A . 4 A H4' . . . . . . . . . rr_1ntt 1
. 1 . 80 . 1 1 3 A H5' H 2.112 -12.220 5.938 . . . 1.0 . . . . . . . . . . . . A . 4 A H5' . . . . . . . . . rr_1ntt 1
. 1 . 81 . 1 1 3 A H5'' H 2.055 -12.185 4.175 . . . 1.0 . . . . . . . . . . . . A . 4 A H5'' . . . . . . . . . rr_1ntt 1
. 1 . 82 . 1 1 3 A H61 H 0.265 -2.060 6.292 . . . 1.0 . . . . . . . . . . . . A . 4 A H61 . . . . . . . . . rr_1ntt 1
. 1 . 83 . 1 1 3 A H62 H 1.673 -3.211 6.040 . . . 1.0 . . . . . . . . . . . . A . 4 A H62 . . . . . . . . . rr_1ntt 1
. 1 . 84 . 1 1 3 A H8 H 2.104 -7.949 5.886 . . . 1.0 . . . . . . . . . . . . A . 4 A H8 . . . . . . . . . rr_1ntt 1
. 1 . 85 . 1 1 3 A HO2' H -2.660 -9.954 3.633 . . . 1.0 . . . . . . . . . . . . A . 4 A HO2' . . . . . . . . . rr_1ntt 1
. 1 . 86 . 1 1 3 A N1 N -1.430 -3.786 6.417 . . . 1.0 . . . . . . . . . . . . A . 4 A N1 . . . . . . . . . rr_1ntt 1
. 1 . 87 . 1 1 3 A N3 N -2.070 -6.065 6.371 . . . 1.0 . . . . . . . . . . . . A . 4 A N3 . . . . . . . . . rr_1ntt 1
. 1 . 88 . 1 1 3 A N6 N 0.681 -2.992 6.183 . . . 1.0 . . . . . . . . . . . . A . 4 A N6 . . . . . . . . . rr_1ntt 1
. 1 . 89 . 1 1 3 A N7 N 1.618 -5.884 5.968 . . . 1.0 . . . . . . . . . . . . A . 4 A N7 . . . . . . . . . rr_1ntt 1
. 1 . 90 . 1 1 3 A N9 N -0.011 -7.677 6.068 . . . 1.0 . . . . . . . . . . . . A . 4 A N9 . . . . . . . . . rr_1ntt 1
. 1 . 91 . 1 1 3 A O2' O -2.305 -10.035 4.524 . . . 1.0 . . . . . . . . . . . . A . 4 A O2' . . . . . . . . . rr_1ntt 1
. 1 . 92 . 1 1 3 A O3' O -0.360 -11.051 2.845 . . . 1.0 . . . . . . . . . . . . A . 4 A O3' . . . . . . . . . rr_1ntt 1
. 1 . 93 . 1 1 3 A O4' O 0.381 -10.069 6.263 . . . 1.0 . . . . . . . . . . . . A . 4 A O4' . . . . . . . . . rr_1ntt 1
. 1 . 94 . 1 1 3 A O5' O 2.945 -10.512 5.057 . . . 1.0 . . . . . . . . . . . . A . 4 A O5' . . . . . . . . . rr_1ntt 1
. 1 . 95 . 1 1 3 A OP1 O 4.952 -12.068 4.604 . . . 1.0 . . . . . . . . . . . . A . 4 A OP1 . . . . . . . . . rr_1ntt 1
. 1 . 96 . 1 1 3 A OP2 O 5.352 -9.618 4.884 . . . 1.0 . . . . . . . . . . . . A . 4 A OP2 . . . . . . . . . rr_1ntt 1
. 1 . 97 . 1 1 3 A P P 4.514 -10.808 5.352 . . . 1.0 . . . . . . . . . . . . A . 4 A P . . . . . . . . . rr_1ntt 1
. 1 . 98 . 1 1 4 G C1' C -4.498 -7.010 2.659 . . . 1.0 . . . . . . . . . . . . A . 5 G C1' . . . . . . . . . rr_1ntt 1
. 1 . 99 . 1 1 4 G C2 C -4.146 -2.446 3.419 . . . 1.0 . . . . . . . . . . . . A . 5 G C2 . . . . . . . . . rr_1ntt 1
. 1 . 100 . 1 1 4 G C2' C -5.265 -6.989 1.323 . . . 1.0 . . . . . . . . . . . . A . 5 G C2' . . . . . . . . . rr_1ntt 1
. 1 . 101 . 1 1 4 G C3' C -4.625 -8.143 0.544 . . . 1.0 . . . . . . . . . . . . A . 5 G C3' . . . . . . . . . rr_1ntt 1
. 1 . 102 . 1 1 4 G C4 C -3.360 -4.669 2.932 . . . 1.0 . . . . . . . . . . . . A . 5 G C4 . . . . . . . . . rr_1ntt 1
. 1 . 103 . 1 1 4 G C4' C -4.348 -9.149 1.670 . . . 1.0 . . . . . . . . . . . . A . 5 G C4' . . . . . . . . . rr_1ntt 1
. 1 . 104 . 1 1 4 G C5 C -2.009 -4.194 2.814 . . . 1.0 . . . . . . . . . . . . A . 5 G C5 . . . . . . . . . rr_1ntt 1
. 1 . 105 . 1 1 4 G C5' C -3.272 -10.207 1.366 . . . 1.0 . . . . . . . . . . . . A . 5 G C5' . . . . . . . . . rr_1ntt 1
. 1 . 106 . 1 1 4 G C6 C -1.697 -2.696 3.068 . . . 1.0 . . . . . . . . . . . . A . 5 G C6 . . . . . . . . . rr_1ntt 1
. 1 . 107 . 1 1 4 G C8 C -2.021 -6.211 2.363 . . . 1.0 . . . . . . . . . . . . A . 5 G C8 . . . . . . . . . rr_1ntt 1
. 1 . 108 . 1 1 4 G H1 H -2.572 -0.927 3.500 . . . 1.0 . . . . . . . . . . . . A . 5 G H1 . . . . . . . . . rr_1ntt 1
. 1 . 109 . 1 1 4 G H1' H -5.181 -6.766 3.496 . . . 1.0 . . . . . . . . . . . . A . 5 G H1' . . . . . . . . . rr_1ntt 1
. 1 . 110 . 1 1 4 G H2' H -5.172 -6.032 0.778 . . . 1.0 . . . . . . . . . . . . A . 5 G H2' . . . . . . . . . rr_1ntt 1
. 1 . 111 . 1 1 4 G H21 H -4.999 -0.564 3.721 . . . 1.0 . . . . . . . . . . . . A . 5 G H21 . . . . . . . . . rr_1ntt 1
. 1 . 112 . 1 1 4 G H22 H -6.155 -1.946 3.632 . . . 1.0 . . . . . . . . . . . . A . 5 G H22 . . . . . . . . . rr_1ntt 1
. 1 . 113 . 1 1 4 G H3' H -3.668 -7.811 0.091 . . . 1.0 . . . . . . . . . . . . A . 5 G H3' . . . . . . . . . rr_1ntt 1
. 1 . 114 . 1 1 4 G H4' H -5.286 -9.682 1.897 . . . 1.0 . . . . . . . . . . . . A . 5 G H4' . . . . . . . . . rr_1ntt 1
. 1 . 115 . 1 1 4 G H5' H -3.295 -10.991 2.146 . . . 1.0 . . . . . . . . . . . . A . 5 G H5' . . . . . . . . . rr_1ntt 1
. 1 . 116 . 1 1 4 G H5'' H -3.500 -10.724 0.415 . . . 1.0 . . . . . . . . . . . . A . 5 G H5'' . . . . . . . . . rr_1ntt 1
. 1 . 117 . 1 1 4 G H8 H -1.697 -7.185 2.020 . . . 1.0 . . . . . . . . . . . . A . 5 G H8 . . . . . . . . . rr_1ntt 1
. 1 . 118 . 1 1 4 G HO2' H -6.936 -7.719 0.756 . . . 1.0 . . . . . . . . . . . . A . 5 G HO2' . . . . . . . . . rr_1ntt 1
. 1 . 119 . 1 1 4 G N1 N -2.777 -1.922 3.365 . . . 1.0 . . . . . . . . . . . . A . 5 G N1 . . . . . . . . . rr_1ntt 1
. 1 . 120 . 1 1 4 G N2 N -5.205 -1.564 3.617 . . . 1.0 . . . . . . . . . . . . A . 5 G N2 . . . . . . . . . rr_1ntt 1
. 1 . 121 . 1 1 4 G N3 N -4.387 -3.704 3.252 . . . 1.0 . . . . . . . . . . . . A . 5 G N3 . . . . . . . . . rr_1ntt 1
. 1 . 122 . 1 1 4 G N7 N -1.112 -5.180 2.447 . . . 1.0 . . . . . . . . . . . . A . 5 G N7 . . . . . . . . . rr_1ntt 1
. 1 . 123 . 1 1 4 G N9 N -3.363 -6.031 2.662 . . . 1.0 . . . . . . . . . . . . A . 5 G N9 . . . . . . . . . rr_1ntt 1
. 1 . 124 . 1 1 4 G O2' O -6.648 -7.255 1.548 . . . 1.0 . . . . . . . . . . . . A . 5 G O2' . . . . . . . . . rr_1ntt 1
. 1 . 125 . 1 1 4 G O3' O -5.508 -8.686 -0.458 . . . 1.0 . . . . . . . . . . . . A . 5 G O3' . . . . . . . . . rr_1ntt 1
. 1 . 126 . 1 1 4 G O4' O -4.005 -8.361 2.829 . . . 1.0 . . . . . . . . . . . . A . 5 G O4' . . . . . . . . . rr_1ntt 1
. 1 . 127 . 1 1 4 G O5' O -1.960 -9.621 1.296 . . . 1.0 . . . . . . . . . . . . A . 5 G O5' . . . . . . . . . rr_1ntt 1
. 1 . 128 . 1 1 4 G O6 O -0.568 -2.213 3.008 . . . 1.0 . . . . . . . . . . . . A . 5 G O6 . . . . . . . . . rr_1ntt 1
. 1 . 129 . 1 1 4 G OP1 O -0.759 -11.715 0.396 . . . 1.0 . . . . . . . . . . . . A . 5 G OP1 . . . . . . . . . rr_1ntt 1
. 1 . 130 . 1 1 4 G OP2 O 0.576 -9.661 0.889 . . . 1.0 . . . . . . . . . . . . A . 5 G OP2 . . . . . . . . . rr_1ntt 1
. 1 . 131 . 1 1 4 G P P -0.610 -10.516 1.335 . . . 1.0 . . . . . . . . . . . . A . 5 G P . . . . . . . . . rr_1ntt 1
. 1 . 132 . 1 1 5 G C1' C -6.860 -3.064 -0.401 . . . 1.0 . . . . . . . . . . . . A . 6 G C1' . . . . . . . . . rr_1ntt 1
. 1 . 133 . 1 1 5 G C2 C -4.091 0.568 0.407 . . . 1.0 . . . . . . . . . . . . A . 6 G C2 . . . . . . . . . rr_1ntt 1
. 1 . 134 . 1 1 5 G C2' C -7.512 -2.607 -1.720 . . . 1.0 . . . . . . . . . . . . A . 6 G C2' . . . . . . . . . rr_1ntt 1
. 1 . 135 . 1 1 5 G C3' C -7.648 -3.912 -2.508 . . . 1.0 . . . . . . . . . . . . A . 6 G C3' . . . . . . . . . rr_1ntt 1
. 1 . 136 . 1 1 5 G C4 C -4.636 -1.714 -0.145 . . . 1.0 . . . . . . . . . . . . A . 6 G C4 . . . . . . . . . rr_1ntt 1
. 1 . 137 . 1 1 5 G C4' C -7.953 -4.913 -1.384 . . . 1.0 . . . . . . . . . . . . A . 6 G C4' . . . . . . . . . rr_1ntt 1
. 1 . 138 . 1 1 5 G C5 C -3.246 -2.037 -0.292 . . . 1.0 . . . . . . . . . . . . A . 6 G C5 . . . . . . . . . rr_1ntt 1
. 1 . 139 . 1 1 5 G C5' C -7.644 -6.385 -1.708 . . . 1.0 . . . . . . . . . . . . A . 6 G C5' . . . . . . . . . rr_1ntt 1
. 1 . 140 . 1 1 5 G C6 C -2.174 -0.950 -0.032 . . . 1.0 . . . . . . . . . . . . A . 6 G C6 . . . . . . . . . rr_1ntt 1
. 1 . 141 . 1 1 5 G C8 C -4.340 -3.731 -0.737 . . . 1.0 . . . . . . . . . . . . A . 6 G C8 . . . . . . . . . rr_1ntt 1
. 1 . 142 . 1 1 5 G H1 H -1.943 0.995 0.456 . . . 1.0 . . . . . . . . . . . . A . 6 G H1 . . . . . . . . . rr_1ntt 1
. 1 . 143 . 1 1 5 G H1' H -7.287 -2.498 0.449 . . . 1.0 . . . . . . . . . . . . A . 6 G H1' . . . . . . . . . rr_1ntt 1
. 1 . 144 . 1 1 5 G H2' H -6.909 -1.864 -2.273 . . . 1.0 . . . . . . . . . . . . A . 6 G H2' . . . . . . . . . rr_1ntt 1
. 1 . 145 . 1 1 5 G H21 H -3.790 2.602 0.803 . . . 1.0 . . . . . . . . . . . . A . 6 G H21 . . . . . . . . . rr_1ntt 1
. 1 . 146 . 1 1 5 G H22 H -5.507 2.058 0.741 . . . 1.0 . . . . . . . . . . . . A . 6 G H22 . . . . . . . . . rr_1ntt 1
. 1 . 147 . 1 1 5 G H3' H -6.679 -4.167 -2.985 . . . 1.0 . . . . . . . . . . . . A . 6 G H3' . . . . . . . . . rr_1ntt 1
. 1 . 148 . 1 1 5 G H4' H -9.027 -4.839 -1.127 . . . 1.0 . . . . . . . . . . . . A . 6 G H4' . . . . . . . . . rr_1ntt 1
. 1 . 149 . 1 1 5 G H5' H -8.005 -7.022 -0.880 . . . 1.0 . . . . . . . . . . . . A . 6 G H5' . . . . . . . . . rr_1ntt 1
. 1 . 150 . 1 1 5 G H5'' H -8.209 -6.704 -2.605 . . . 1.0 . . . . . . . . . . . . A . 6 G H5'' . . . . . . . . . rr_1ntt 1
. 1 . 151 . 1 1 5 G H8 H -4.570 -4.735 -1.067 . . . 1.0 . . . . . . . . . . . . A . 6 G H8 . . . . . . . . . rr_1ntt 1
. 1 . 152 . 1 1 5 G HO2' H -9.326 -2.302 -2.231 . . . 1.0 . . . . . . . . . . . . A . 6 G HO2' . . . . . . . . . rr_1ntt 1
. 1 . 153 . 1 1 5 G N1 N -2.658 0.274 0.310 . . . 1.0 . . . . . . . . . . . . A . 6 G N1 . . . . . . . . . rr_1ntt 1
. 1 . 154 . 1 1 5 G N2 N -4.501 1.872 0.686 . . . 1.0 . . . . . . . . . . . . A . 6 G N2 . . . . . . . . . rr_1ntt 1
. 1 . 155 . 1 1 5 G N3 N -4.976 -0.354 0.216 . . . 1.0 . . . . . . . . . . . . A . 6 G N3 . . . . . . . . . rr_1ntt 1
. 1 . 156 . 1 1 5 G N7 N -3.022 -3.344 -0.678 . . . 1.0 . . . . . . . . . . . . A . 6 G N7 . . . . . . . . . rr_1ntt 1
. 1 . 157 . 1 1 5 G N9 N -5.375 -2.859 -0.418 . . . 1.0 . . . . . . . . . . . . A . 6 G N9 . . . . . . . . . rr_1ntt 1
. 1 . 158 . 1 1 5 G O2' O -8.802 -2.054 -1.464 . . . 1.0 . . . . . . . . . . . . A . 6 G O2' . . . . . . . . . rr_1ntt 1
. 1 . 159 . 1 1 5 G O3' O -8.704 -3.853 -3.488 . . . 1.0 . . . . . . . . . . . . A . 6 G O3' . . . . . . . . . rr_1ntt 1
. 1 . 160 . 1 1 5 G O4' O -7.189 -4.464 -0.244 . . . 1.0 . . . . . . . . . . . . A . 6 G O4' . . . . . . . . . rr_1ntt 1
. 1 . 161 . 1 1 5 G O5' O -6.237 -6.602 -1.921 . . . 1.0 . . . . . . . . . . . . A . 6 G O5' . . . . . . . . . rr_1ntt 1
. 1 . 162 . 1 1 5 G O6 O -0.967 -1.155 -0.127 . . . 1.0 . . . . . . . . . . . . A . 6 G O6 . . . . . . . . . rr_1ntt 1
. 1 . 163 . 1 1 5 G OP1 O -6.462 -9.007 -2.819 . . . 1.0 . . . . . . . . . . . . A . 6 G OP1 . . . . . . . . . rr_1ntt 1
. 1 . 164 . 1 1 5 G OP2 O -4.185 -8.011 -2.561 . . . 1.0 . . . . . . . . . . . . A . 6 G OP2 . . . . . . . . . rr_1ntt 1
. 1 . 165 . 1 1 5 G P P -5.589 -8.086 -1.963 . . . 1.0 . . . . . . . . . . . . A . 6 G P . . . . . . . . . rr_1ntt 1
. 1 . 166 . 1 1 6 A C1' C -6.420 1.423 -3.335 . . . 1.0 . . . . . . . . . . . . A . 7 A C1' . . . . . . . . . rr_1ntt 1
. 1 . 167 . 1 1 6 A C2 C -1.978 2.585 -2.700 . . . 1.0 . . . . . . . . . . . . A . 7 A C2 . . . . . . . . . rr_1ntt 1
. 1 . 168 . 1 1 6 A C2' C -6.707 2.241 -4.608 . . . 1.0 . . . . . . . . . . . . A . 7 A C2' . . . . . . . . . rr_1ntt 1
. 1 . 169 . 1 1 6 A C3' C -7.595 1.300 -5.427 . . . 1.0 . . . . . . . . . . . . A . 7 A C3' . . . . . . . . . rr_1ntt 1
. 1 . 170 . 1 1 6 A C4 C -3.820 1.211 -3.195 . . . 1.0 . . . . . . . . . . . . A . 7 A C4 . . . . . . . . . rr_1ntt 1
. 1 . 171 . 1 1 6 A C4' C -8.418 0.631 -4.317 . . . 1.0 . . . . . . . . . . . . A . 7 A C4' . . . . . . . . . rr_1ntt 1
. 1 . 172 . 1 1 6 A C5 C -2.867 0.137 -3.452 . . . 1.0 . . . . . . . . . . . . A . 7 A C5 . . . . . . . . . rr_1ntt 1
. 1 . 173 . 1 1 6 A C5' C -9.064 -0.715 -4.687 . . . 1.0 . . . . . . . . . . . . A . 7 A C5' . . . . . . . . . rr_1ntt 1
. 1 . 174 . 1 1 6 A C6 C -1.461 0.436 -3.272 . . . 1.0 . . . . . . . . . . . . A . 7 A C6 . . . . . . . . . rr_1ntt 1
. 1 . 175 . 1 1 6 A C8 C -4.786 -0.584 -3.809 . . . 1.0 . . . . . . . . . . . . A . 7 A C8 . . . . . . . . . rr_1ntt 1
. 1 . 176 . 1 1 6 A H1' H -6.410 2.087 -2.449 . . . 1.0 . . . . . . . . . . . . A . 7 A H1' . . . . . . . . . rr_1ntt 1
. 1 . 177 . 1 1 6 A H2 H -1.587 3.564 -2.461 . . . 1.0 . . . . . . . . . . . . A . 7 A H2 . . . . . . . . . rr_1ntt 1
. 1 . 178 . 1 1 6 A H2' H -5.795 2.519 -5.165 . . . 1.0 . . . . . . . . . . . . A . 7 A H2' . . . . . . . . . rr_1ntt 1
. 1 . 179 . 1 1 6 A H3' H -6.969 0.540 -5.940 . . . 1.0 . . . . . . . . . . . . A . 7 A H3' . . . . . . . . . rr_1ntt 1
. 1 . 180 . 1 1 6 A H4' H -9.227 1.322 -4.012 . . . 1.0 . . . . . . . . . . . . A . 7 A H4' . . . . . . . . . rr_1ntt 1
. 1 . 181 . 1 1 6 A H5' H -9.727 -1.036 -3.863 . . . 1.0 . . . . . . . . . . . . A . 7 A H5' . . . . . . . . . rr_1ntt 1
. 1 . 182 . 1 1 6 A H5'' H -9.718 -0.595 -5.572 . . . 1.0 . . . . . . . . . . . . A . 7 A H5'' . . . . . . . . . rr_1ntt 1
. 1 . 183 . 1 1 6 A H61 H 0.451 -0.214 -3.293 . . . 1.0 . . . . . . . . . . . . A . 7 A H61 . . . . . . . . . rr_1ntt 1
. 1 . 184 . 1 1 6 A H62 H -0.858 -1.416 -3.744 . . . 1.0 . . . . . . . . . . . . A . 7 A H62 . . . . . . . . . rr_1ntt 1
. 1 . 185 . 1 1 6 A H8 H -5.578 -1.254 -4.115 . . . 1.0 . . . . . . . . . . . . A . 7 A H8 . . . . . . . . . rr_1ntt 1
. 1 . 186 . 1 1 6 A HO2' H -7.983 3.595 -5.039 . . . 1.0 . . . . . . . . . . . . A . 7 A HO2' . . . . . . . . . rr_1ntt 1
. 1 . 187 . 1 1 6 A N1 N -1.081 1.644 -2.901 . . . 1.0 . . . . . . . . . . . . A . 7 A N1 . . . . . . . . . rr_1ntt 1
. 1 . 188 . 1 1 6 A N3 N -3.281 2.514 -2.795 . . . 1.0 . . . . . . . . . . . . A . 7 A N3 . . . . . . . . . rr_1ntt 1
. 1 . 189 . 1 1 6 A N6 N -0.523 -0.486 -3.467 . . . 1.0 . . . . . . . . . . . . A . 7 A N6 . . . . . . . . . rr_1ntt 1
. 1 . 190 . 1 1 6 A N7 N -3.486 -1.040 -3.852 . . . 1.0 . . . . . . . . . . . . A . 7 A N7 . . . . . . . . . rr_1ntt 1
. 1 . 191 . 1 1 6 A N9 N -5.101 0.715 -3.420 . . . 1.0 . . . . . . . . . . . . A . 7 A N9 . . . . . . . . . rr_1ntt 1
. 1 . 192 . 1 1 6 A O2' O -7.423 3.428 -4.275 . . . 1.0 . . . . . . . . . . . . A . 7 A O2' . . . . . . . . . rr_1ntt 1
. 1 . 193 . 1 1 6 A O3' O -8.421 2.005 -6.375 . . . 1.0 . . . . . . . . . . . . A . 7 A O3' . . . . . . . . . rr_1ntt 1
. 1 . 194 . 1 1 6 A O4' O -7.512 0.483 -3.202 . . . 1.0 . . . . . . . . . . . . A . 7 A O4' . . . . . . . . . rr_1ntt 1
. 1 . 195 . 1 1 6 A O5' O -8.079 -1.731 -4.949 . . . 1.0 . . . . . . . . . . . . A . 7 A O5' . . . . . . . . . rr_1ntt 1
. 1 . 196 . 1 1 6 A OP1 O -9.734 -3.507 -5.814 . . . 1.0 . . . . . . . . . . . . A . 7 A OP1 . . . . . . . . . rr_1ntt 1
. 1 . 197 . 1 1 6 A OP2 O -7.309 -4.085 -5.641 . . . 1.0 . . . . . . . . . . . . A . 7 A OP2 . . . . . . . . . rr_1ntt 1
. 1 . 198 . 1 1 6 A P P -8.456 -3.307 -4.996 . . . 1.0 . . . . . . . . . . . . A . 7 A P . . . . . . . . . rr_1ntt 1
. 1 . 199 . 1 1 7 G C1' C -3.642 5.213 -6.011 . . . 1.0 . . . . . . . . . . . . A . 8 G C1' . . . . . . . . . rr_1ntt 1
. 1 . 200 . 1 1 7 G C2 C 0.848 4.163 -5.818 . . . 1.0 . . . . . . . . . . . . A . 8 G C2 . . . . . . . . . rr_1ntt 1
. 1 . 201 . 1 1 7 G C2' C -3.493 6.212 -7.178 . . . 1.0 . . . . . . . . . . . . A . 8 G C2' . . . . . . . . . rr_1ntt 1
. 1 . 202 . 1 1 7 G C3' C -4.750 5.949 -8.012 . . . 1.0 . . . . . . . . . . . . A . 8 G C3' . . . . . . . . . rr_1ntt 1
. 1 . 203 . 1 1 7 G C4 C -1.497 3.736 -6.139 . . . 1.0 . . . . . . . . . . . . A . 8 G C4 . . . . . . . . . rr_1ntt 1
. 1 . 204 . 1 1 7 G C4' C -5.778 5.663 -6.909 . . . 1.0 . . . . . . . . . . . . A . 8 G C4' . . . . . . . . . rr_1ntt 1
. 1 . 205 . 1 1 7 G C5 C -1.234 2.357 -6.444 . . . 1.0 . . . . . . . . . . . . A . 8 G C5 . . . . . . . . . rr_1ntt 1
. 1 . 206 . 1 1 7 G C5' C -7.035 4.897 -7.357 . . . 1.0 . . . . . . . . . . . . A . 8 G C5' . . . . . . . . . rr_1ntt 1
. 1 . 207 . 1 1 7 G C6 C 0.222 1.823 -6.379 . . . 1.0 . . . . . . . . . . . . A . 8 G C6 . . . . . . . . . rr_1ntt 1
. 1 . 208 . 1 1 7 G C8 C -3.265 2.687 -6.664 . . . 1.0 . . . . . . . . . . . . A . 8 G C8 . . . . . . . . . rr_1ntt 1
. 1 . 209 . 1 1 7 G H1 H 2.130 2.405 -6.058 . . . 1.0 . . . . . . . . . . . . A . 8 G H1 . . . . . . . . . rr_1ntt 1
. 1 . 210 . 1 1 7 G H1' H -3.281 5.665 -5.065 . . . 1.0 . . . . . . . . . . . . A . 8 G H1' . . . . . . . . . rr_1ntt 1
. 1 . 211 . 1 1 7 G H2' H -2.574 6.059 -7.771 . . . 1.0 . . . . . . . . . . . . A . 8 G H2' . . . . . . . . . rr_1ntt 1
. 1 . 212 . 1 1 7 G H21 H 2.853 4.730 -5.648 . . . 1.0 . . . . . . . . . . . . A . 8 G H21 . . . . . . . . . rr_1ntt 1
. 1 . 213 . 1 1 7 G H22 H 1.642 6.053 -5.453 . . . 1.0 . . . . . . . . . . . . A . 8 G H22 . . . . . . . . . rr_1ntt 1
. 1 . 214 . 1 1 7 G H3' H -4.609 5.043 -8.637 . . . 1.0 . . . . . . . . . . . . A . 8 G H3' . . . . . . . . . rr_1ntt 1
. 1 . 215 . 1 1 7 G H4' H -6.109 6.629 -6.478 . . . 1.0 . . . . . . . . . . . . A . 8 G H4' . . . . . . . . . rr_1ntt 1
. 1 . 216 . 1 1 7 G H5' H -7.775 4.909 -6.535 . . . 1.0 . . . . . . . . . . . . A . 8 G H5' . . . . . . . . . rr_1ntt 1
. 1 . 217 . 1 1 7 G H5'' H -7.519 5.417 -8.206 . . . 1.0 . . . . . . . . . . . . A . 8 G H5'' . . . . . . . . . rr_1ntt 1
. 1 . 218 . 1 1 7 G H8 H -4.303 2.510 -6.914 . . . 1.0 . . . . . . . . . . . . A . 8 G H8 . . . . . . . . . rr_1ntt 1
. 1 . 219 . 1 1 7 G HO2' H -3.947 8.057 -7.373 . . . 1.0 . . . . . . . . . . . . A . 8 G HO2' . . . . . . . . . rr_1ntt 1
. 1 . 220 . 1 1 7 G N1 N 1.165 2.752 -6.063 . . . 1.0 . . . . . . . . . . . . A . 8 G N1 . . . . . . . . . rr_1ntt 1
. 1 . 221 . 1 1 7 G N2 N 1.885 5.072 -5.616 . . . 1.0 . . . . . . . . . . . . A . 8 G N2 . . . . . . . . . rr_1ntt 1
. 1 . 222 . 1 1 7 G N3 N -0.372 4.584 -5.822 . . . 1.0 . . . . . . . . . . . . A . 8 G N3 . . . . . . . . . rr_1ntt 1
. 1 . 223 . 1 1 7 G N7 N -2.368 1.649 -6.792 . . . 1.0 . . . . . . . . . . . . A . 8 G N7 . . . . . . . . . rr_1ntt 1
. 1 . 224 . 1 1 7 G N9 N -2.864 3.955 -6.258 . . . 1.0 . . . . . . . . . . . . A . 8 G N9 . . . . . . . . . rr_1ntt 1
. 1 . 225 . 1 1 7 G O2' O -3.499 7.551 -6.687 . . . 1.0 . . . . . . . . . . . . A . 8 G O2' . . . . . . . . . rr_1ntt 1
. 1 . 226 . 1 1 7 G O3' O -5.127 7.082 -8.822 . . . 1.0 . . . . . . . . . . . . A . 8 G O3' . . . . . . . . . rr_1ntt 1
. 1 . 227 . 1 1 7 G O4' O -5.058 4.941 -5.889 . . . 1.0 . . . . . . . . . . . . A . 8 G O4' . . . . . . . . . rr_1ntt 1
. 1 . 228 . 1 1 7 G O5' O -6.734 3.539 -7.728 . . . 1.0 . . . . . . . . . . . . A . 8 G O5' . . . . . . . . . rr_1ntt 1
. 1 . 229 . 1 1 7 G O6 O 0.535 0.654 -6.599 . . . 1.0 . . . . . . . . . . . . A . 8 G O6 . . . . . . . . . rr_1ntt 1
. 1 . 230 . 1 1 7 G OP1 O -9.061 2.961 -8.671 . . . 1.0 . . . . . . . . . . . . A . 8 G OP1 . . . . . . . . . rr_1ntt 1
. 1 . 231 . 1 1 7 G OP2 O -7.318 1.175 -8.553 . . . 1.0 . . . . . . . . . . . . A . 8 G OP2 . . . . . . . . . rr_1ntt 1
. 1 . 232 . 1 1 7 G P P -7.889 2.410 -7.855 . . . 1.0 . . . . . . . . . . . . A . 8 G P . . . . . . . . . rr_1ntt 1
. 1 . 233 . 1 1 8 G C1' C 0.654 7.440 -8.955 . . . 1.0 . . . . . . . . . . . . A . 9 G C1' . . . . . . . . . rr_1ntt 1
. 1 . 234 . 1 1 8 G C2 C 3.671 3.923 -9.228 . . . 1.0 . . . . . . . . . . . . A . 9 G C2 . . . . . . . . . rr_1ntt 1
. 1 . 235 . 1 1 8 G C2' C 1.164 8.262 -10.152 . . . 1.0 . . . . . . . . . . . . A . 9 G C2' . . . . . . . . . rr_1ntt 1
. 1 . 236 . 1 1 8 G C3' C -0.127 8.759 -10.809 . . . 1.0 . . . . . . . . . . . . A . 9 G C3' . . . . . . . . . rr_1ntt 1
. 1 . 237 . 1 1 8 G C4 C 1.519 4.998 -9.301 . . . 1.0 . . . . . . . . . . . . A . 9 G C4 . . . . . . . . . rr_1ntt 1
. 1 . 238 . 1 1 8 G C4' C -1.028 8.970 -9.582 . . . 1.0 . . . . . . . . . . . . A . 9 G C4' . . . . . . . . . rr_1ntt 1
. 1 . 239 . 1 1 8 G C5 C 0.869 3.743 -9.558 . . . 1.0 . . . . . . . . . . . . A . 9 G C5 . . . . . . . . . rr_1ntt 1
. 1 . 240 . 1 1 8 G C5' C -2.543 8.961 -9.842 . . . 1.0 . . . . . . . . . . . . A . 9 G C5' . . . . . . . . . rr_1ntt 1
. 1 . 241 . 1 1 8 G C6 C 1.709 2.441 -9.600 . . . 1.0 . . . . . . . . . . . . A . 9 G C6 . . . . . . . . . rr_1ntt 1
. 1 . 242 . 1 1 8 G C8 C -0.564 5.230 -9.611 . . . 1.0 . . . . . . . . . . . . A . 9 G C8 . . . . . . . . . rr_1ntt 1
. 1 . 243 . 1 1 8 G H1 H 3.600 1.750 -9.487 . . . 1.0 . . . . . . . . . . . . A . 9 G H1 . . . . . . . . . rr_1ntt 1
. 1 . 244 . 1 1 8 G H1' H 1.331 7.560 -8.087 . . . 1.0 . . . . . . . . . . . . A . 9 G H1' . . . . . . . . . rr_1ntt 1
. 1 . 245 . 1 1 8 G H2' H 1.776 7.672 -10.858 . . . 1.0 . . . . . . . . . . . . A . 9 G H2' . . . . . . . . . rr_1ntt 1
. 1 . 246 . 1 1 8 G H21 H 5.621 3.165 -9.290 . . . 1.0 . . . . . . . . . . . . A . 9 G H21 . . . . . . . . . rr_1ntt 1
. 1 . 247 . 1 1 8 G H22 H 5.475 4.943 -9.035 . . . 1.0 . . . . . . . . . . . . A . 9 G H22 . . . . . . . . . rr_1ntt 1
. 1 . 248 . 1 1 8 G H3' H -0.554 7.969 -11.460 . . . 1.0 . . . . . . . . . . . . A . 9 G H3' . . . . . . . . . rr_1ntt 1
. 1 . 249 . 1 1 8 G H4' H -0.781 9.942 -9.135 . . . 1.0 . . . . . . . . . . . . A . 9 G H4' . . . . . . . . . rr_1ntt 1
. 1 . 250 . 1 1 8 G H5' H -3.071 9.245 -8.913 . . . 1.0 . . . . . . . . . . . . A . 9 G H5' . . . . . . . . . rr_1ntt 1
. 1 . 251 . 1 1 8 G H5'' H -2.806 9.733 -10.590 . . . 1.0 . . . . . . . . . . . . A . 9 G H5'' . . . . . . . . . rr_1ntt 1
. 1 . 252 . 1 1 8 G H8 H -1.500 5.756 -9.754 . . . 1.0 . . . . . . . . . . . . A . 9 G H8 . . . . . . . . . rr_1ntt 1
. 1 . 253 . 1 1 8 G HO2' H 1.631 10.111 -10.225 . . . 1.0 . . . . . . . . . . . . A . 9 G HO2' . . . . . . . . . rr_1ntt 1
. 1 . 254 . 1 1 8 G N1 N 3.047 2.610 -9.420 . . . 1.0 . . . . . . . . . . . . A . 9 G N1 . . . . . . . . . rr_1ntt 1
. 1 . 255 . 1 1 8 G N2 N 5.061 4.016 -9.174 . . . 1.0 . . . . . . . . . . . . A . 9 G N2 . . . . . . . . . rr_1ntt 1
. 1 . 256 . 1 1 8 G N3 N 2.956 4.995 -9.141 . . . 1.0 . . . . . . . . . . . . A . 9 G N3 . . . . . . . . . rr_1ntt 1
. 1 . 257 . 1 1 8 G N7 N -0.492 3.865 -9.774 . . . 1.0 . . . . . . . . . . . . A . 9 G N7 . . . . . . . . . rr_1ntt 1
. 1 . 258 . 1 1 8 G N9 N 0.548 5.987 -9.288 . . . 1.0 . . . . . . . . . . . . A . 9 G N9 . . . . . . . . . rr_1ntt 1
. 1 . 259 . 1 1 8 G O2' O 1.930 9.371 -9.686 . . . 1.0 . . . . . . . . . . . . A . 9 G O2' . . . . . . . . . rr_1ntt 1
. 1 . 260 . 1 1 8 G O3' O 0.088 9.981 -11.547 . . . 1.0 . . . . . . . . . . . . A . 9 G O3' . . . . . . . . . rr_1ntt 1
. 1 . 261 . 1 1 8 G O4' O -0.649 7.969 -8.618 . . . 1.0 . . . . . . . . . . . . A . 9 G O4' . . . . . . . . . rr_1ntt 1
. 1 . 262 . 1 1 8 G O5' O -3.004 7.676 -10.294 . . . 1.0 . . . . . . . . . . . . A . 9 G O5' . . . . . . . . . rr_1ntt 1
. 1 . 263 . 1 1 8 G O6 O 1.231 1.325 -9.790 . . . 1.0 . . . . . . . . . . . . A . 9 G O6 . . . . . . . . . rr_1ntt 1
. 1 . 264 . 1 1 8 G OP1 O -5.363 8.428 -10.995 . . . 1.0 . . . . . . . . . . . . A . 9 G OP1 . . . . . . . . . rr_1ntt 1
. 1 . 265 . 1 1 8 G OP2 O -4.765 6.008 -11.138 . . . 1.0 . . . . . . . . . . . . A . 9 G OP2 . . . . . . . . . rr_1ntt 1
. 1 . 266 . 1 1 8 G P P -4.577 7.294 -10.334 . . . 1.0 . . . . . . . . . . . . A . 9 G P . . . . . . . . . rr_1ntt 1
. 1 . 267 . 1 1 9 A C1' C 4.389 6.234 -12.755 . . . 1.0 . . . . . . . . . . . . A . 10 A C1' . . . . . . . . . rr_1ntt 1
. 1 . 268 . 1 1 9 A C2 C 3.787 1.636 -12.915 . . . 1.0 . . . . . . . . . . . . A . 10 A C2 . . . . . . . . . rr_1ntt 1
. 1 . 269 . 1 1 9 A C2' C 5.027 6.585 -14.117 . . . 1.0 . . . . . . . . . . . . A . 10 A C2' . . . . . . . . . rr_1ntt 1
. 1 . 270 . 1 1 9 A C3' C 4.426 7.954 -14.437 . . . 1.0 . . . . . . . . . . . . A . 10 A C3' . . . . . . . . . rr_1ntt 1
. 1 . 271 . 1 1 9 A C4 C 3.200 3.912 -12.940 . . . 1.0 . . . . . . . . . . . . A . 10 A C4 . . . . . . . . . rr_1ntt 1
. 1 . 272 . 1 1 9 A C4' C 4.265 8.578 -13.042 . . . 1.0 . . . . . . . . . . . . A . 10 A C4' . . . . . . . . . rr_1ntt 1
. 1 . 273 . 1 1 9 A C5 C 1.816 3.486 -13.110 . . . 1.0 . . . . . . . . . . . . A . 10 A C5 . . . . . . . . . rr_1ntt 1
. 1 . 274 . 1 1 9 A C5' C 3.179 9.666 -12.938 . . . 1.0 . . . . . . . . . . . . A . 10 A C5' . . . . . . . . . rr_1ntt 1
. 1 . 275 . 1 1 9 A C6 C 1.559 2.060 -13.159 . . . 1.0 . . . . . . . . . . . . A . 10 A C6 . . . . . . . . . rr_1ntt 1
. 1 . 276 . 1 1 9 A C8 C 1.863 5.566 -13.051 . . . 1.0 . . . . . . . . . . . . A . 10 A C8 . . . . . . . . . rr_1ntt 1
. 1 . 277 . 1 1 9 A H1' H 5.141 5.760 -12.094 . . . 1.0 . . . . . . . . . . . . A . 10 A H1' . . . . . . . . . rr_1ntt 1
. 1 . 278 . 1 1 9 A H2 H 4.544 0.870 -12.828 . . . 1.0 . . . . . . . . . . . . A . 10 A H2 . . . . . . . . . rr_1ntt 1
. 1 . 279 . 1 1 9 A H2' H 4.797 5.848 -14.911 . . . 1.0 . . . . . . . . . . . . A . 10 A H2' . . . . . . . . . rr_1ntt 1
. 1 . 280 . 1 1 9 A H3' H 3.436 7.810 -14.913 . . . 1.0 . . . . . . . . . . . . A . 10 A H3' . . . . . . . . . rr_1ntt 1
. 1 . 281 . 1 1 9 A H4' H 5.231 9.018 -12.726 . . . 1.0 . . . . . . . . . . . . A . 10 A H4' . . . . . . . . . rr_1ntt 1
. 1 . 282 . 1 1 9 A H5' H 3.147 10.053 -11.903 . . . 1.0 . . . . . . . . . . . . A . 10 A H5' . . . . . . . . . rr_1ntt 1
. 1 . 283 . 1 1 9 A H5'' H 3.438 10.531 -13.577 . . . 1.0 . . . . . . . . . . . . A . 10 A H5'' . . . . . . . . . rr_1ntt 1
. 1 . 284 . 1 1 9 A H61 H 0.241 0.555 -13.260 . . . 1.0 . . . . . . . . . . . . A . 10 A H61 . . . . . . . . . rr_1ntt 1
. 1 . 285 . 1 1 9 A H62 H -0.433 2.264 -13.311 . . . 1.0 . . . . . . . . . . . . A . 10 A H62 . . . . . . . . . rr_1ntt 1
. 1 . 286 . 1 1 9 A H8 H 1.517 6.590 -13.067 . . . 1.0 . . . . . . . . . . . . A . 10 A H8 . . . . . . . . . rr_1ntt 1
. 1 . 287 . 1 1 9 A HO2' H 6.696 7.379 -14.604 . . . 1.0 . . . . . . . . . . . . A . 10 A HO2' . . . . . . . . . rr_1ntt 1
. 1 . 288 . 1 1 9 A HO3' H 4.779 9.546 -15.461 . . . 1.0 . . . . . . . . . . . . A . 10 A HO3' . . . . . . . . . rr_1ntt 1
. 1 . 289 . 1 1 9 A N1 N 2.554 1.199 -13.061 . . . 1.0 . . . . . . . . . . . . A . 10 A N1 . . . . . . . . . rr_1ntt 1
. 1 . 290 . 1 1 9 A N3 N 4.224 2.867 -12.845 . . . 1.0 . . . . . . . . . . . . A . 10 A N3 . . . . . . . . . rr_1ntt 1
. 1 . 291 . 1 1 9 A N6 N 0.328 1.576 -13.280 . . . 1.0 . . . . . . . . . . . . A . 10 A N6 . . . . . . . . . rr_1ntt 1
. 1 . 292 . 1 1 9 A N7 N 0.934 4.557 -13.184 . . . 1.0 . . . . . . . . . . . . A . 10 A N7 . . . . . . . . . rr_1ntt 1
. 1 . 293 . 1 1 9 A N9 N 3.223 5.304 -12.901 . . . 1.0 . . . . . . . . . . . . A . 10 A N9 . . . . . . . . . rr_1ntt 1
. 1 . 294 . 1 1 9 A O2' O 6.442 6.691 -13.982 . . . 1.0 . . . . . . . . . . . . A . 10 A O2' . . . . . . . . . rr_1ntt 1
. 1 . 295 . 1 1 9 A O3' O 5.264 8.736 -15.284 . . . 1.0 . . . . . . . . . . . . A . 10 A O3' . . . . . . . . . rr_1ntt 1
. 1 . 296 . 1 1 9 A O4' O 3.971 7.481 -12.157 . . . 1.0 . . . . . . . . . . . . A . 10 A O4' . . . . . . . . . rr_1ntt 1
. 1 . 297 . 1 1 9 A O5' O 1.888 9.154 -13.316 . . . 1.0 . . . . . . . . . . . . A . 10 A O5' . . . . . . . . . rr_1ntt 1
. 1 . 298 . 1 1 9 A OP1 O 0.723 11.432 -13.574 . . . 1.0 . . . . . . . . . . . . A . 10 A OP1 . . . . . . . . . rr_1ntt 1
. 1 . 299 . 1 1 9 A OP2 O -0.589 9.341 -13.948 . . . 1.0 . . . . . . . . . . . . A . 10 A OP2 . . . . . . . . . rr_1ntt 1
. 1 . 300 . 1 1 9 A P P 0.515 9.988 -13.112 . . . 1.0 . . . . . . . . . . . . A . 10 A P . . . . . . . . . rr_1ntt 1
. 1 . 301 . 2 2 1 DC C1' C 8.202 -0.885 -10.193 . . . 1.0 . . . . . . . . . . . . B . 1 DC C1' . . . . . . . . . rr_1ntt 1
. 1 . 302 . 2 2 1 DC C2 C 5.873 0.035 -10.057 . . . 1.0 . . . . . . . . . . . . B . 1 DC C2 . . . . . . . . . rr_1ntt 1
. 1 . 303 . 2 2 1 DC C2' C 8.984 -0.261 -9.025 . . . 1.0 . . . . . . . . . . . . B . 1 DC C2' . . . . . . . . . rr_1ntt 1
. 1 . 304 . 2 2 1 DC C3' C 9.617 -1.461 -8.335 . . . 1.0 . . . . . . . . . . . . B . 1 DC C3' . . . . . . . . . rr_1ntt 1
. 1 . 305 . 2 2 1 DC C4 C 3.966 -1.383 -9.582 . . . 1.0 . . . . . . . . . . . . B . 1 DC C4 . . . . . . . . . rr_1ntt 1
. 1 . 306 . 2 2 1 DC C4' C 9.904 -2.390 -9.520 . . . 1.0 . . . . . . . . . . . . B . 1 DC C4' . . . . . . . . . rr_1ntt 1
. 1 . 307 . 2 2 1 DC C5 C 4.778 -2.473 -9.421 . . . 1.0 . . . . . . . . . . . . B . 1 DC C5 . . . . . . . . . rr_1ntt 1
. 1 . 308 . 2 2 1 DC C5' C 9.955 -3.879 -9.136 . . . 1.0 . . . . . . . . . . . . B . 1 DC C5' . . . . . . . . . rr_1ntt 1
. 1 . 309 . 2 2 1 DC C6 C 6.130 -2.371 -9.571 . . . 1.0 . . . . . . . . . . . . B . 1 DC C6 . . . . . . . . . rr_1ntt 1
. 1 . 310 . 2 2 1 DC H1' H 8.333 -0.246 -11.089 . . . 1.0 . . . . . . . . . . . . B . 1 DC H1' . . . . . . . . . rr_1ntt 1
. 1 . 311 . 2 2 1 DC H2' H 8.363 0.345 -8.341 . . . 1.0 . . . . . . . . . . . . B . 1 DC H2' . . . . . . . . . rr_1ntt 1
. 1 . 312 . 2 2 1 DC H2'' H 9.770 0.412 -9.414 . . . 1.0 . . . . . . . . . . . . B . 1 DC H2'' . . . . . . . . . rr_1ntt 1
. 1 . 313 . 2 2 1 DC H3' H 8.885 -1.934 -7.649 . . . 1.0 . . . . . . . . . . . . B . 1 DC H3' . . . . . . . . . rr_1ntt 1
. 1 . 314 . 2 2 1 DC H4' H 10.865 -2.105 -9.991 . . . 1.0 . . . . . . . . . . . . B . 1 DC H4' . . . . . . . . . rr_1ntt 1
. 1 . 315 . 2 2 1 DC H41 H 1.994 -0.670 -9.544 . . . 1.0 . . . . . . . . . . . . B . 1 DC H41 . . . . . . . . . rr_1ntt 1
. 1 . 316 . 2 2 1 DC H42 H 2.170 -2.423 -9.190 . . . 1.0 . . . . . . . . . . . . B . 1 DC H42 . . . . . . . . . rr_1ntt 1
. 1 . 317 . 2 2 1 DC H5 H 4.355 -3.446 -9.168 . . . 1.0 . . . . . . . . . . . . B . 1 DC H5 . . . . . . . . . rr_1ntt 1
. 1 . 318 . 2 2 1 DC H5' H 8.989 -4.206 -8.709 . . . 1.0 . . . . . . . . . . . . B . 1 DC H5' . . . . . . . . . rr_1ntt 1
. 1 . 319 . 2 2 1 DC H5'' H 10.119 -4.500 -10.036 . . . 1.0 . . . . . . . . . . . . B . 1 DC H5'' . . . . . . . . . rr_1ntt 1
. 1 . 320 . 2 2 1 DC H6 H 6.762 -3.249 -9.431 . . . 1.0 . . . . . . . . . . . . B . 1 DC H6 . . . . . . . . . rr_1ntt 1
. 1 . 321 . 2 2 1 DC HO5' H 10.919 -3.432 -7.521 . . . 1.0 . . . . . . . . . . . . B . 1 DC HO5' . . . . . . . . . rr_1ntt 1
. 1 . 322 . 2 2 1 DC N1 N 6.737 -1.048 -9.926 . . . 1.0 . . . . . . . . . . . . B . 1 DC N1 . . . . . . . . . rr_1ntt 1
. 1 . 323 . 2 2 1 DC N3 N 4.436 -0.208 -9.867 . . . 1.0 . . . . . . . . . . . . B . 1 DC N3 . . . . . . . . . rr_1ntt 1
. 1 . 324 . 2 2 1 DC N4 N 2.572 -1.514 -9.439 . . . 1.0 . . . . . . . . . . . . B . 1 DC N4 . . . . . . . . . rr_1ntt 1
. 1 . 325 . 2 2 1 DC O2 O 6.294 1.161 -10.326 . . . 1.0 . . . . . . . . . . . . B . 1 DC O2 . . . . . . . . . rr_1ntt 1
. 1 . 326 . 2 2 1 DC O3' O 10.833 -1.114 -7.655 . . . 1.0 . . . . . . . . . . . . B . 1 DC O3' . . . . . . . . . rr_1ntt 1
. 1 . 327 . 2 2 1 DC O4' O 8.845 -2.154 -10.468 . . . 1.0 . . . . . . . . . . . . B . 1 DC O4' . . . . . . . . . rr_1ntt 1
. 1 . 328 . 2 2 1 DC O5' O 11.000 -4.115 -8.197 . . . 1.0 . . . . . . . . . . . . B . 1 DC O5' . . . . . . . . . rr_1ntt 1
. 1 . 329 . 2 2 2 5PC C1' C 7.086 2.854 -6.115 . . . 1.0 . . . . . . . . . . . . B . 2 5PC C1' . . . . . . . . . rr_1ntt 1
. 1 . 330 . 2 2 2 5PC C2 C 4.735 1.990 -6.117 . . . 1.0 . . . . . . . . . . . . B . 2 5PC C2 . . . . . . . . . rr_1ntt 1
. 1 . 331 . 2 2 2 5PC C2' C 7.468 3.251 -4.683 . . . 1.0 . . . . . . . . . . . . B . 2 5PC C2' . . . . . . . . . rr_1ntt 1
. 1 . 332 . 2 2 2 5PC C3' C 8.983 3.110 -4.583 . . . 1.0 . . . . . . . . . . . . B . 2 5PC C3' . . . . . . . . . rr_1ntt 1
. 1 . 333 . 2 2 2 5PC C4 C 4.253 -0.385 -6.025 . . . 1.0 . . . . . . . . . . . . B . 2 5PC C4 . . . . . . . . . rr_1ntt 1
. 1 . 334 . 2 2 2 5PC C4' C 9.455 2.911 -6.036 . . . 1.0 . . . . . . . . . . . . B . 2 5PC C4' . . . . . . . . . rr_1ntt 1
. 1 . 335 . 2 2 2 5PC C5 C 5.602 -0.690 -6.019 . . . 1.0 . . . . . . . . . . . . B . 2 5PC C5 . . . . . . . . . rr_1ntt 1
. 1 . 336 . 2 2 2 5PC C5' C 10.562 1.850 -6.201 . . . 1.0 . . . . . . . . . . . . B . 2 5PC C5' . . . . . . . . . rr_1ntt 1
. 1 . 337 . 2 2 2 5PC C6 C 6.534 0.312 -6.066 . . . 1.0 . . . . . . . . . . . . B . 2 5PC C6 . . . . . . . . . rr_1ntt 1
. 1 . 338 . 2 2 2 5PC C7 C 6.169 -2.020 -5.966 . . . 1.0 . . . . . . . . . . . . B . 2 5PC C7 . . . . . . . . . rr_1ntt 1
. 1 . 339 . 2 2 2 5PC C8 C 6.649 -3.124 -5.927 . . . 1.0 . . . . . . . . . . . . B . 2 5PC C8 . . . . . . . . . rr_1ntt 1
. 1 . 340 . 2 2 2 5PC C9 C 7.214 -4.403 -5.885 . . . 1.0 . . . . . . . . . . . . B . 2 5PC C9 . . . . . . . . . rr_1ntt 1
. 1 . 341 . 2 2 2 5PC H1' H 6.675 3.743 -6.634 . . . 1.0 . . . . . . . . . . . . B . 2 5PC H1' . . . . . . . . . rr_1ntt 1
. 1 . 342 . 2 2 2 5PC H2' H 7.004 2.601 -3.925 . . . 1.0 . . . . . . . . . . . . B . 2 5PC H2' . . . . . . . . . rr_1ntt 1
. 1 . 343 . 2 2 2 5PC H2'' H 7.106 4.269 -4.476 . . . 1.0 . . . . . . . . . . . . B . 2 5PC H2'' . . . . . . . . . rr_1ntt 1
. 1 . 344 . 2 2 2 5PC H3' H 9.174 2.176 -4.019 . . . 1.0 . . . . . . . . . . . . B . 2 5PC H3' . . . . . . . . . rr_1ntt 1
. 1 . 345 . 2 2 2 5PC H4' H 9.816 3.871 -6.448 . . . 1.0 . . . . . . . . . . . . B . 2 5PC H4' . . . . . . . . . rr_1ntt 1
. 1 . 346 . 2 2 2 5PC H41 H 3.494 -2.361 -5.859 . . . 1.0 . . . . . . . . . . . . B . 2 5PC H41 . . . . . . . . . rr_1ntt 1
. 1 . 347 . 2 2 2 5PC H42 H 2.259 -1.057 -5.985 . . . 1.0 . . . . . . . . . . . . B . 2 5PC H42 . . . . . . . . . rr_1ntt 1
. 1 . 348 . 2 2 2 5PC H5' H 10.860 1.791 -7.265 . . . 1.0 . . . . . . . . . . . . B . 2 5PC H5' . . . . . . . . . rr_1ntt 1
. 1 . 349 . 2 2 2 5PC H5'' H 11.469 2.149 -5.641 . . . 1.0 . . . . . . . . . . . . B . 2 5PC H5'' . . . . . . . . . rr_1ntt 1
. 1 . 350 . 2 2 2 5PC H6 H 7.606 0.109 -6.039 . . . 1.0 . . . . . . . . . . . . B . 2 5PC H6 . . . . . . . . . rr_1ntt 1
. 1 . 351 . 2 2 2 5PC H91 H 8.264 -4.352 -5.541 . . . 1.0 . . . . . . . . . . . . B . 2 5PC H91 . . . . . . . . . rr_1ntt 1
. 1 . 352 . 2 2 2 5PC H92 H 6.658 -5.060 -5.194 . . . 1.0 . . . . . . . . . . . . B . 2 5PC H92 . . . . . . . . . rr_1ntt 1
. 1 . 353 . 2 2 2 5PC H93 H 7.207 -4.872 -6.885 . . . 1.0 . . . . . . . . . . . . B . 2 5PC H93 . . . . . . . . . rr_1ntt 1
. 1 . 354 . 2 2 2 5PC N1 N 6.096 1.737 -6.142 . . . 1.0 . . . . . . . . . . . . B . 2 5PC N1 . . . . . . . . . rr_1ntt 1
. 1 . 355 . 2 2 2 5PC N3 N 3.826 0.841 -6.090 . . . 1.0 . . . . . . . . . . . . B . 2 5PC N3 . . . . . . . . . rr_1ntt 1
. 1 . 356 . 2 2 2 5PC N4 N 3.236 -1.374 -5.954 . . . 1.0 . . . . . . . . . . . . B . 2 5PC N4 . . . . . . . . . rr_1ntt 1
. 1 . 357 . 2 2 2 5PC O2 O 4.299 3.142 -6.090 . . . 1.0 . . . . . . . . . . . . B . 2 5PC O2 . . . . . . . . . rr_1ntt 1
. 1 . 358 . 2 2 2 5PC O3' O 9.654 4.181 -3.866 . . . 1.0 . . . . . . . . . . . . B . 2 5PC O3' . . . . . . . . . rr_1ntt 1
. 1 . 359 . 2 2 2 5PC O4' O 8.303 2.500 -6.798 . . . 1.0 . . . . . . . . . . . . B . 2 5PC O4' . . . . . . . . . rr_1ntt 1
. 1 . 360 . 2 2 2 5PC O5' O 10.105 0.561 -5.742 . . . 1.0 . . . . . . . . . . . . B . 2 5PC O5' . . . . . . . . . rr_1ntt 1
. 1 . 361 . 2 2 2 5PC OP1 O 12.341 -0.711 -5.620 . . . 1.0 . . . . . . . . . . . . B . 2 5PC OP1 . . . . . . . . . rr_1ntt 1
. 1 . 362 . 2 2 2 5PC OP2 O 10.207 -1.976 -5.330 . . . 1.0 . . . . . . . . . . . . B . 2 5PC OP2 . . . . . . . . . rr_1ntt 1
. 1 . 363 . 2 2 2 5PC P P 10.883 -0.818 -6.067 . . . 1.0 . . . . . . . . . . . . B . 2 5PC P . . . . . . . . . rr_1ntt 1
. 1 . 364 . 2 2 3 PDU C1' C 4.024 5.175 -2.446 . . . 1.0 . . . . . . . . . . . . B . 3 PDU C1' . . . . . . . . . rr_1ntt 1
. 1 . 365 . 2 2 3 PDU C2 C 2.403 3.277 -2.565 . . . 1.0 . . . . . . . . . . . . B . 3 PDU C2 . . . . . . . . . rr_1ntt 1
. 1 . 366 . 2 2 3 PDU C2' C 4.001 5.767 -1.036 . . . 1.0 . . . . . . . . . . . . B . 3 PDU C2' . . . . . . . . . rr_1ntt 1
. 1 . 367 . 2 2 3 PDU C3' C 5.453 6.063 -0.685 . . . 1.0 . . . . . . . . . . . . B . 3 PDU C3' . . . . . . . . . rr_1ntt 1
. 1 . 368 . 2 2 3 PDU C4 C 3.043 0.956 -2.603 . . . 1.0 . . . . . . . . . . . . B . 3 PDU C4 . . . . . . . . . rr_1ntt 1
. 1 . 369 . 2 2 3 PDU C4' C 6.060 6.328 -2.071 . . . 1.0 . . . . . . . . . . . . B . 3 PDU C4' . . . . . . . . . rr_1ntt 1
. 1 . 370 . 2 2 3 PDU C5 C 4.530 1.384 -2.420 . . . 1.0 . . . . . . . . . . . . B . 3 PDU C5 . . . . . . . . . rr_1ntt 1
. 1 . 371 . 2 2 3 PDU C5' C 7.571 6.042 -2.168 . . . 1.0 . . . . . . . . . . . . B . 3 PDU C5' . . . . . . . . . rr_1ntt 1
. 1 . 372 . 2 2 3 PDU C5A C 5.596 0.426 -2.389 . . . 1.0 . . . . . . . . . . . . B . 3 PDU C5A . . . . . . . . . rr_1ntt 1
. 1 . 373 . 2 2 3 PDU C5B C 6.494 -0.377 -2.373 . . . 1.0 . . . . . . . . . . . . B . 3 PDU C5B . . . . . . . . . rr_1ntt 1
. 1 . 374 . 2 2 3 PDU C5M C 7.540 -1.307 -2.366 . . . 1.0 . . . . . . . . . . . . B . 3 PDU C5M . . . . . . . . . rr_1ntt 1
. 1 . 375 . 2 2 3 PDU C6 C 4.808 2.709 -2.318 . . . 1.0 . . . . . . . . . . . . B . 3 PDU C6 . . . . . . . . . rr_1ntt 1
. 1 . 376 . 2 2 3 PDU H1' H 3.288 5.717 -3.074 . . . 1.0 . . . . . . . . . . . . B . 3 PDU H1' . . . . . . . . . rr_1ntt 1
. 1 . 377 . 2 2 3 PDU H2' H 3.570 5.089 -0.293 . . . 1.0 . . . . . . . . . . . . B . 3 PDU H2' . . . . . . . . . rr_1ntt 1
. 1 . 378 . 2 2 3 PDU H2'' H 3.382 6.679 -1.014 . . . 1.0 . . . . . . . . . . . . B . 3 PDU H2'' . . . . . . . . . rr_1ntt 1
. 1 . 379 . 2 2 3 PDU H3 H 1.131 1.692 -2.731 . . . 1.0 . . . . . . . . . . . . B . 3 PDU H3 . . . . . . . . . rr_1ntt 1
. 1 . 380 . 2 2 3 PDU H3' H 5.912 5.163 -0.228 . . . 1.0 . . . . . . . . . . . . B . 3 PDU H3' . . . . . . . . . rr_1ntt 1
. 1 . 381 . 2 2 3 PDU H4' H 5.876 7.381 -2.361 . . . 1.0 . . . . . . . . . . . . B . 3 PDU H4' . . . . . . . . . rr_1ntt 1
. 1 . 382 . 2 2 3 PDU H5' H 8.133 6.680 -1.460 . . . 1.0 . . . . . . . . . . . . B . 3 PDU H5' . . . . . . . . . rr_1ntt 1
. 1 . 383 . 2 2 3 PDU H5'' H 7.779 4.993 -1.880 . . . 1.0 . . . . . . . . . . . . B . 3 PDU H5'' . . . . . . . . . rr_1ntt 1
. 1 . 384 . 2 2 3 PDU H6 H 5.826 3.064 -2.146 . . . 1.0 . . . . . . . . . . . . B . 3 PDU H6 . . . . . . . . . rr_1ntt 1
. 1 . 385 . 2 2 3 PDU H71 H 7.150 -2.340 -2.407 . . . 1.0 . . . . . . . . . . . . B . 3 PDU H71 . . . . . . . . . rr_1ntt 1
. 1 . 386 . 2 2 3 PDU H72 H 8.203 -1.163 -3.240 . . . 1.0 . . . . . . . . . . . . B . 3 PDU H72 . . . . . . . . . rr_1ntt 1
. 1 . 387 . 2 2 3 PDU H73 H 8.155 -1.208 -1.453 . . . 1.0 . . . . . . . . . . . . B . 3 PDU H73 . . . . . . . . . rr_1ntt 1
. 1 . 388 . 2 2 3 PDU N1 N 3.717 3.712 -2.452 . . . 1.0 . . . . . . . . . . . . B . 3 PDU N1 . . . . . . . . . rr_1ntt 1
. 1 . 389 . 2 2 3 PDU N3 N 2.119 1.952 -2.649 . . . 1.0 . . . . . . . . . . . . B . 3 PDU N3 . . . . . . . . . rr_1ntt 1
. 1 . 390 . 2 2 3 PDU O2 O 1.445 4.050 -2.584 . . . 1.0 . . . . . . . . . . . . B . 3 PDU O2 . . . . . . . . . rr_1ntt 1
. 1 . 391 . 2 2 3 PDU O3' O 5.569 7.191 0.204 . . . 1.0 . . . . . . . . . . . . B . 3 PDU O3' . . . . . . . . . rr_1ntt 1
. 1 . 392 . 2 2 3 PDU O4 O 2.674 -0.214 -2.703 . . . 1.0 . . . . . . . . . . . . B . 3 PDU O4 . . . . . . . . . rr_1ntt 1
. 1 . 393 . 2 2 3 PDU O4' O 5.335 5.468 -2.976 . . . 1.0 . . . . . . . . . . . . B . 3 PDU O4' . . . . . . . . . rr_1ntt 1
. 1 . 394 . 2 2 3 PDU O5' O 8.030 6.285 -3.511 . . . 1.0 . . . . . . . . . . . . B . 3 PDU O5' . . . . . . . . . rr_1ntt 1
. 1 . 395 . 2 2 3 PDU OP1 O 9.608 6.163 -5.538 . . . 1.0 . . . . . . . . . . . . B . 3 PDU OP1 . . . . . . . . . rr_1ntt 1
. 1 . 396 . 2 2 3 PDU OP2 O 10.577 6.509 -3.269 . . . 1.0 . . . . . . . . . . . . B . 3 PDU OP2 . . . . . . . . . rr_1ntt 1
. 1 . 397 . 2 2 3 PDU P P 9.478 5.796 -4.058 . . . 1.0 . . . . . . . . . . . . B . 3 PDU P . . . . . . . . . rr_1ntt 1
. 1 . 398 . 2 2 4 5PC C1' C 0.010 6.093 1.172 . . . 1.0 . . . . . . . . . . . . B . 4 5PC C1' . . . . . . . . . rr_1ntt 1
. 1 . 399 . 2 2 4 5PC C2 C -0.610 3.696 0.713 . . . 1.0 . . . . . . . . . . . . B . 4 5PC C2 . . . . . . . . . rr_1ntt 1
. 1 . 400 . 2 2 4 5PC C2' C 0.122 6.620 2.607 . . . 1.0 . . . . . . . . . . . . B . 4 5PC C2' . . . . . . . . . rr_1ntt 1
. 1 . 401 . 2 2 4 5PC C3' C 0.432 8.103 2.432 . . . 1.0 . . . . . . . . . . . . B . 4 5PC C3' . . . . . . . . . rr_1ntt 1
. 1 . 402 . 2 2 4 5PC C4 C 1.071 1.941 0.767 . . . 1.0 . . . . . . . . . . . . B . 4 5PC C4 . . . . . . . . . rr_1ntt 1
. 1 . 403 . 2 2 4 5PC C4' C 1.177 8.150 1.082 . . . 1.0 . . . . . . . . . . . . B . 4 5PC C4' . . . . . . . . . rr_1ntt 1
. 1 . 404 . 2 2 4 5PC C5 C 2.054 2.851 1.110 . . . 1.0 . . . . . . . . . . . . B . 4 5PC C5 . . . . . . . . . rr_1ntt 1
. 1 . 405 . 2 2 4 5PC C5' C 2.697 8.411 1.187 . . . 1.0 . . . . . . . . . . . . B . 4 5PC C5' . . . . . . . . . rr_1ntt 1
. 1 . 406 . 2 2 4 5PC C6 C 1.737 4.170 1.280 . . . 1.0 . . . . . . . . . . . . B . 4 5PC C6 . . . . . . . . . rr_1ntt 1
. 1 . 407 . 2 2 4 5PC C7 C 3.456 2.546 1.302 . . . 1.0 . . . . . . . . . . . . B . 4 5PC C7 . . . . . . . . . rr_1ntt 1
. 1 . 408 . 2 2 4 5PC C8 C 4.625 2.299 1.454 . . . 1.0 . . . . . . . . . . . . B . 4 5PC C8 . . . . . . . . . rr_1ntt 1
. 1 . 409 . 2 2 4 5PC C9 C 5.984 2.020 1.626 . . . 1.0 . . . . . . . . . . . . B . 4 5PC C9 . . . . . . . . . rr_1ntt 1
. 1 . 410 . 2 2 4 5PC H1' H -1.012 6.308 0.796 . . . 1.0 . . . . . . . . . . . . B . 4 5PC H1' . . . . . . . . . rr_1ntt 1
. 1 . 411 . 2 2 4 5PC H2' H 0.957 6.142 3.154 . . . 1.0 . . . . . . . . . . . . B . 4 5PC H2' . . . . . . . . . rr_1ntt 1
. 1 . 412 . 2 2 4 5PC H2'' H -0.794 6.434 3.190 . . . 1.0 . . . . . . . . . . . . B . 4 5PC H2'' . . . . . . . . . rr_1ntt 1
. 1 . 413 . 2 2 4 5PC H3' H 1.055 8.482 3.267 . . . 1.0 . . . . . . . . . . . . B . 4 5PC H3' . . . . . . . . . rr_1ntt 1
. 1 . 414 . 2 2 4 5PC H4' H 0.749 8.966 0.469 . . . 1.0 . . . . . . . . . . . . B . 4 5PC H4' . . . . . . . . . rr_1ntt 1
. 1 . 415 . 2 2 4 5PC H41 H 2.294 0.208 0.738 . . . 1.0 . . . . . . . . . . . . B . 4 5PC H41 . . . . . . . . . rr_1ntt 1
. 1 . 416 . 2 2 4 5PC H42 H 0.562 -0.068 0.345 . . . 1.0 . . . . . . . . . . . . B . 4 5PC H42 . . . . . . . . . rr_1ntt 1
. 1 . 417 . 2 2 4 5PC H5' H 3.097 8.629 0.178 . . . 1.0 . . . . . . . . . . . . B . 4 5PC H5' . . . . . . . . . rr_1ntt 1
. 1 . 418 . 2 2 4 5PC H5'' H 2.895 9.319 1.786 . . . 1.0 . . . . . . . . . . . . B . 4 5PC H5'' . . . . . . . . . rr_1ntt 1
. 1 . 419 . 2 2 4 5PC H6 H 2.483 4.915 1.573 . . . 1.0 . . . . . . . . . . . . B . 4 5PC H6 . . . . . . . . . rr_1ntt 1
. 1 . 420 . 2 2 4 5PC H91 H 6.408 1.549 0.720 . . . 1.0 . . . . . . . . . . . . B . 4 5PC H91 . . . . . . . . . rr_1ntt 1
. 1 . 421 . 2 2 4 5PC H92 H 6.549 2.949 1.823 . . . 1.0 . . . . . . . . . . . . B . 4 5PC H92 . . . . . . . . . rr_1ntt 1
. 1 . 422 . 2 2 4 5PC H93 H 6.144 1.334 2.477 . . . 1.0 . . . . . . . . . . . . B . 4 5PC H93 . . . . . . . . . rr_1ntt 1
. 1 . 423 . 2 2 4 5PC N1 N 0.343 4.643 1.057 . . . 1.0 . . . . . . . . . . . . B . 4 5PC N1 . . . . . . . . . rr_1ntt 1
. 1 . 424 . 2 2 4 5PC N3 N -0.165 2.301 0.581 . . . 1.0 . . . . . . . . . . . . B . 4 5PC N3 . . . . . . . . . rr_1ntt 1
. 1 . 425 . 2 2 4 5PC N4 N 1.341 0.557 0.594 . . . 1.0 . . . . . . . . . . . . B . 4 5PC N4 . . . . . . . . . rr_1ntt 1
. 1 . 426 . 2 2 4 5PC O2 O -1.788 4.003 0.528 . . . 1.0 . . . . . . . . . . . . B . 4 5PC O2 . . . . . . . . . rr_1ntt 1
. 1 . 427 . 2 2 4 5PC O3' O -0.782 8.879 2.343 . . . 1.0 . . . . . . . . . . . . B . 4 5PC O3' . . . . . . . . . rr_1ntt 1
. 1 . 428 . 2 2 4 5PC O4' O 0.930 6.896 0.405 . . . 1.0 . . . . . . . . . . . . B . 4 5PC O4' . . . . . . . . . rr_1ntt 1
. 1 . 429 . 2 2 4 5PC O5' O 3.400 7.288 1.755 . . . 1.0 . . . . . . . . . . . . B . 4 5PC O5' . . . . . . . . . rr_1ntt 1
. 1 . 430 . 2 2 4 5PC OP1 O 5.619 8.352 2.505 . . . 1.0 . . . . . . . . . . . . B . 4 5PC OP1 . . . . . . . . . rr_1ntt 1
. 1 . 431 . 2 2 4 5PC OP2 O 5.434 5.863 2.415 . . . 1.0 . . . . . . . . . . . . B . 4 5PC OP2 . . . . . . . . . rr_1ntt 1
. 1 . 432 . 2 2 4 5PC P P 5.019 7.172 1.739 . . . 1.0 . . . . . . . . . . . . B . 4 5PC P . . . . . . . . . rr_1ntt 1
. 1 . 433 . 2 2 5 5PC C1' C -3.483 3.943 3.961 . . . 1.0 . . . . . . . . . . . . B . 5 5PC C1' . . . . . . . . . rr_1ntt 1
. 1 . 434 . 2 2 5 5PC C2 C -2.395 1.686 3.894 . . . 1.0 . . . . . . . . . . . . B . 5 5PC C2 . . . . . . . . . rr_1ntt 1
. 1 . 435 . 2 2 5 5PC C2' C -4.051 4.378 5.315 . . . 1.0 . . . . . . . . . . . . B . 5 5PC C2' . . . . . . . . . rr_1ntt 1
. 1 . 436 . 2 2 5 5PC C3' C -4.407 5.860 5.175 . . . 1.0 . . . . . . . . . . . . B . 5 5PC C3' . . . . . . . . . rr_1ntt 1
. 1 . 437 . 2 2 5 5PC C4 C -0.011 1.417 4.247 . . . 1.0 . . . . . . . . . . . . B . 5 5PC C4 . . . . . . . . . rr_1ntt 1
. 1 . 438 . 2 2 5 5PC C4' C -4.178 6.132 3.679 . . . 1.0 . . . . . . . . . . . . B . 5 5PC C4' . . . . . . . . . rr_1ntt 1
. 1 . 439 . 2 2 5 5PC C5 C 0.143 2.775 4.461 . . . 1.0 . . . . . . . . . . . . B . 5 5PC C5 . . . . . . . . . rr_1ntt 1
. 1 . 440 . 2 2 5 5PC C5' C -3.734 7.562 3.319 . . . 1.0 . . . . . . . . . . . . B . 5 5PC C5' . . . . . . . . . rr_1ntt 1
. 1 . 441 . 2 2 5 5PC C6 C -0.943 3.608 4.401 . . . 1.0 . . . . . . . . . . . . B . 5 5PC C6 . . . . . . . . . rr_1ntt 1
. 1 . 442 . 2 2 5 5PC C7 C 1.400 3.442 4.728 . . . 1.0 . . . . . . . . . . . . B . 5 5PC C7 . . . . . . . . . rr_1ntt 1
. 1 . 443 . 2 2 5 5PC C8 C 2.448 4.000 4.937 . . . 1.0 . . . . . . . . . . . . B . 5 5PC C8 . . . . . . . . . rr_1ntt 1
. 1 . 444 . 2 2 5 5PC C9 C 3.664 4.651 5.168 . . . 1.0 . . . . . . . . . . . . B . 5 5PC C9 . . . . . . . . . rr_1ntt 1
. 1 . 445 . 2 2 5 5PC H1' H -4.295 3.431 3.405 . . . 1.0 . . . . . . . . . . . . B . 5 5PC H1' . . . . . . . . . rr_1ntt 1
. 1 . 446 . 2 2 5 5PC H2' H -3.328 4.261 6.141 . . . 1.0 . . . . . . . . . . . . B . 5 5PC H2' . . . . . . . . . rr_1ntt 1
. 1 . 447 . 2 2 5 5PC H2'' H -4.929 3.758 5.567 . . . 1.0 . . . . . . . . . . . . B . 5 5PC H2'' . . . . . . . . . rr_1ntt 1
. 1 . 448 . 2 2 5 5PC H3' H -3.706 6.462 5.788 . . . 1.0 . . . . . . . . . . . . B . 5 5PC H3' . . . . . . . . . rr_1ntt 1
. 1 . 449 . 2 2 5 5PC H4' H -5.118 5.926 3.129 . . . 1.0 . . . . . . . . . . . . B . 5 5PC H4' . . . . . . . . . rr_1ntt 1
. 1 . 450 . 2 2 5 5PC H41 H 2.016 0.840 4.504 . . . 1.0 . . . . . . . . . . . . B . 5 5PC H41 . . . . . . . . . rr_1ntt 1
. 1 . 451 . 2 2 5 5PC H42 H 0.877 -0.487 4.076 . . . 1.0 . . . . . . . . . . . . B . 5 5PC H42 . . . . . . . . . rr_1ntt 1
. 1 . 452 . 2 2 5 5PC H5' H -3.525 7.617 2.233 . . . 1.0 . . . . . . . . . . . . B . 5 5PC H5' . . . . . . . . . rr_1ntt 1
. 1 . 453 . 2 2 5 5PC H5'' H -4.563 8.271 3.506 . . . 1.0 . . . . . . . . . . . . B . 5 5PC H5'' . . . . . . . . . rr_1ntt 1
. 1 . 454 . 2 2 5 5PC H6 H -0.862 4.681 4.589 . . . 1.0 . . . . . . . . . . . . B . 5 5PC H6 . . . . . . . . . rr_1ntt 1
. 1 . 455 . 2 2 5 5PC H91 H 4.474 4.197 4.568 . . . 1.0 . . . . . . . . . . . . B . 5 5PC H91 . . . . . . . . . rr_1ntt 1
. 1 . 456 . 2 2 5 5PC H92 H 3.601 5.717 4.881 . . . 1.0 . . . . . . . . . . . . B . 5 5PC H92 . . . . . . . . . rr_1ntt 1
. 1 . 457 . 2 2 5 5PC H93 H 3.952 4.597 6.233 . . . 1.0 . . . . . . . . . . . . B . 5 5PC H93 . . . . . . . . . rr_1ntt 1
. 1 . 458 . 2 2 5 5PC N1 N -2.289 3.056 4.072 . . . 1.0 . . . . . . . . . . . . B . 5 5PC N1 . . . . . . . . . rr_1ntt 1
. 1 . 459 . 2 2 5 5PC N3 N -1.168 0.890 3.982 . . . 1.0 . . . . . . . . . . . . B . 5 5PC N3 . . . . . . . . . rr_1ntt 1
. 1 . 460 . 2 2 5 5PC N4 N 1.073 0.498 4.293 . . . 1.0 . . . . . . . . . . . . B . 5 5PC N4 . . . . . . . . . rr_1ntt 1
. 1 . 461 . 2 2 5 5PC O2 O -3.483 1.147 3.687 . . . 1.0 . . . . . . . . . . . . B . 5 5PC O2 . . . . . . . . . rr_1ntt 1
. 1 . 462 . 2 2 5 5PC O3' O -5.766 6.140 5.565 . . . 1.0 . . . . . . . . . . . . B . 5 5PC O3' . . . . . . . . . rr_1ntt 1
. 1 . 463 . 2 2 5 5PC O4' O -3.196 5.166 3.260 . . . 1.0 . . . . . . . . . . . . B . 5 5PC O4' . . . . . . . . . rr_1ntt 1
. 1 . 464 . 2 2 5 5PC O5' O -2.577 7.981 4.068 . . . 1.0 . . . . . . . . . . . . B . 5 5PC O5' . . . . . . . . . rr_1ntt 1
. 1 . 465 . 2 2 5 5PC OP1 O -2.607 10.432 3.274 . . . 1.0 . . . . . . . . . . . . B . 5 5PC OP1 . . . . . . . . . rr_1ntt 1
. 1 . 466 . 2 2 5 5PC OP2 O -0.780 9.674 4.796 . . . 1.0 . . . . . . . . . . . . B . 5 5PC OP2 . . . . . . . . . rr_1ntt 1
. 1 . 467 . 2 2 5 5PC P P -1.687 9.263 3.634 . . . 1.0 . . . . . . . . . . . . B . 5 5PC P . . . . . . . . . rr_1ntt 1
. 1 . 468 . 2 2 6 PDU C1' C -6.013 0.449 6.792 . . . 1.0 . . . . . . . . . . . . B . 6 PDU C1' . . . . . . . . . rr_1ntt 1
. 1 . 469 . 2 2 6 PDU C2 C -3.872 -0.828 6.924 . . . 1.0 . . . . . . . . . . . . B . 6 PDU C2 . . . . . . . . . rr_1ntt 1
. 1 . 470 . 2 2 6 PDU C2' C -6.826 0.284 8.084 . . . 1.0 . . . . . . . . . . . . B . 6 PDU C2' . . . . . . . . . rr_1ntt 1
. 1 . 471 . 2 2 6 PDU C3' C -7.459 1.647 8.342 . . . 1.0 . . . . . . . . . . . . B . 6 PDU C3' . . . . . . . . . rr_1ntt 1
. 1 . 472 . 2 2 6 PDU C4 C -1.727 0.161 7.394 . . . 1.0 . . . . . . . . . . . . B . 6 PDU C4 . . . . . . . . . rr_1ntt 1
. 1 . 473 . 2 2 6 PDU C4' C -7.594 2.187 6.914 . . . 1.0 . . . . . . . . . . . . B . 6 PDU C4' . . . . . . . . . rr_1ntt 1
. 1 . 474 . 2 2 6 PDU C5 C -2.427 1.541 7.571 . . . 1.0 . . . . . . . . . . . . B . 6 PDU C5 . . . . . . . . . rr_1ntt 1
. 1 . 475 . 2 2 6 PDU C5' C -7.718 3.718 6.793 . . . 1.0 . . . . . . . . . . . . B . 6 PDU C5' . . . . . . . . . rr_1ntt 1
. 1 . 476 . 2 2 6 PDU C5A C -1.672 2.717 7.889 . . . 1.0 . . . . . . . . . . . . B . 6 PDU C5A . . . . . . . . . rr_1ntt 1
. 1 . 477 . 2 2 6 PDU C5B C -1.038 3.709 8.146 . . . 1.0 . . . . . . . . . . . . B . 6 PDU C5B . . . . . . . . . rr_1ntt 1
. 1 . 478 . 2 2 6 PDU C5M C -0.304 4.863 8.436 . . . 1.0 . . . . . . . . . . . . B . 6 PDU C5M . . . . . . . . . rr_1ntt 1
. 1 . 479 . 2 2 6 PDU C6 C -3.771 1.610 7.393 . . . 1.0 . . . . . . . . . . . . B . 6 PDU C6 . . . . . . . . . rr_1ntt 1
. 1 . 480 . 2 2 6 PDU H1' H -6.318 -0.345 6.081 . . . 1.0 . . . . . . . . . . . . B . 6 PDU H1' . . . . . . . . . rr_1ntt 1
. 1 . 481 . 2 2 6 PDU H2' H -6.223 -0.028 8.948 . . . 1.0 . . . . . . . . . . . . B . 6 PDU H2' . . . . . . . . . rr_1ntt 1
. 1 . 482 . 2 2 6 PDU H2'' H -7.601 -0.493 7.948 . . . 1.0 . . . . . . . . . . . . B . 6 PDU H2'' . . . . . . . . . rr_1ntt 1
. 1 . 483 . 2 2 6 PDU H3 H -2.083 -1.811 6.975 . . . 1.0 . . . . . . . . . . . . B . 6 PDU H3 . . . . . . . . . rr_1ntt 1
. 1 . 484 . 2 2 6 PDU H3' H -6.763 2.281 8.929 . . . 1.0 . . . . . . . . . . . . B . 6 PDU H3' . . . . . . . . . rr_1ntt 1
. 1 . 485 . 2 2 6 PDU H4' H -8.489 1.736 6.443 . . . 1.0 . . . . . . . . . . . . B . 6 PDU H4' . . . . . . . . . rr_1ntt 1
. 1 . 486 . 2 2 6 PDU H5' H -7.802 3.991 5.723 . . . 1.0 . . . . . . . . . . . . B . 6 PDU H5' . . . . . . . . . rr_1ntt 1
. 1 . 487 . 2 2 6 PDU H5'' H -8.656 4.060 7.270 . . . 1.0 . . . . . . . . . . . . B . 6 PDU H5'' . . . . . . . . . rr_1ntt 1
. 1 . 488 . 2 2 6 PDU H6 H -4.310 2.554 7.507 . . . 1.0 . . . . . . . . . . . . B . 6 PDU H6 . . . . . . . . . rr_1ntt 1
. 1 . 489 . 2 2 6 PDU H71 H 0.615 4.909 7.824 . . . 1.0 . . . . . . . . . . . . B . 6 PDU H71 . . . . . . . . . rr_1ntt 1
. 1 . 490 . 2 2 6 PDU H72 H -0.898 5.770 8.223 . . . 1.0 . . . . . . . . . . . . B . 6 PDU H72 . . . . . . . . . rr_1ntt 1
. 1 . 491 . 2 2 6 PDU H73 H -0.009 4.889 9.501 . . . 1.0 . . . . . . . . . . . . B . 6 PDU H73 . . . . . . . . . rr_1ntt 1
. 1 . 492 . 2 2 6 PDU N1 N -4.538 0.386 7.024 . . . 1.0 . . . . . . . . . . . . B . 6 PDU N1 . . . . . . . . . rr_1ntt 1
. 1 . 493 . 2 2 6 PDU N3 N -2.525 -0.893 7.087 . . . 1.0 . . . . . . . . . . . . B . 6 PDU N3 . . . . . . . . . rr_1ntt 1
. 1 . 494 . 2 2 6 PDU O2 O -4.450 -1.893 6.702 . . . 1.0 . . . . . . . . . . . . B . 6 PDU O2 . . . . . . . . . rr_1ntt 1
. 1 . 495 . 2 2 6 PDU O3' O -8.731 1.536 9.009 . . . 1.0 . . . . . . . . . . . . B . 6 PDU O3' . . . . . . . . . rr_1ntt 1
. 1 . 496 . 2 2 6 PDU O4 O -0.515 -0.017 7.507 . . . 1.0 . . . . . . . . . . . . B . 6 PDU O4 . . . . . . . . . rr_1ntt 1
. 1 . 497 . 2 2 6 PDU O4' O -6.428 1.708 6.216 . . . 1.0 . . . . . . . . . . . . B . 6 PDU O4' . . . . . . . . . rr_1ntt 1
. 1 . 498 . 2 2 6 PDU O5' O -6.601 4.405 7.389 . . . 1.0 . . . . . . . . . . . . B . 6 PDU O5' . . . . . . . . . rr_1ntt 1
. 1 . 499 . 2 2 6 PDU OP1 O -7.589 6.781 7.268 . . . 1.0 . . . . . . . . . . . . B . 6 PDU OP1 . . . . . . . . . rr_1ntt 1
. 1 . 500 . 2 2 6 PDU OP2 O -5.243 6.479 8.073 . . . 1.0 . . . . . . . . . . . . B . 6 PDU OP2 . . . . . . . . . rr_1ntt 1
. 1 . 501 . 2 2 6 PDU P P -6.302 5.971 7.092 . . . 1.0 . . . . . . . . . . . . B . 6 PDU P . . . . . . . . . rr_1ntt 1
. 1 . 502 . 2 2 7 PDU C1' C -6.610 -3.897 10.020 . . . 1.0 . . . . . . . . . . . . B . 7 PDU C1' . . . . . . . . . rr_1ntt 1
. 1 . 503 . 2 2 7 PDU C2 C -4.111 -3.931 9.877 . . . 1.0 . . . . . . . . . . . . B . 7 PDU C2 . . . . . . . . . rr_1ntt 1
. 1 . 504 . 2 2 7 PDU C2' C -7.229 -4.390 11.337 . . . 1.0 . . . . . . . . . . . . B . 7 PDU C2' . . . . . . . . . rr_1ntt 1
. 1 . 505 . 2 2 7 PDU C3' C -8.290 -3.344 11.662 . . . 1.0 . . . . . . . . . . . . B . 7 PDU C3' . . . . . . . . . rr_1ntt 1
. 1 . 506 . 2 2 7 PDU C4 C -2.707 -2.026 10.339 . . . 1.0 . . . . . . . . . . . . B . 7 PDU C4 . . . . . . . . . rr_1ntt 1
. 1 . 507 . 2 2 7 PDU C4' C -8.749 -2.921 10.259 . . . 1.0 . . . . . . . . . . . . B . 7 PDU C4' . . . . . . . . . rr_1ntt 1
. 1 . 508 . 2 2 7 PDU C5 C -3.982 -1.191 10.661 . . . 1.0 . . . . . . . . . . . . B . 7 PDU C5 . . . . . . . . . rr_1ntt 1
. 1 . 509 . 2 2 7 PDU C5' C -9.398 -1.526 10.172 . . . 1.0 . . . . . . . . . . . . B . 7 PDU C5' . . . . . . . . . rr_1ntt 1
. 1 . 510 . 2 2 7 PDU C5A C -3.917 0.212 10.949 . . . 1.0 . . . . . . . . . . . . B . 7 PDU C5A . . . . . . . . . rr_1ntt 1
. 1 . 511 . 2 2 7 PDU C5B C -3.869 1.393 11.181 . . . 1.0 . . . . . . . . . . . . B . 7 PDU C5B . . . . . . . . . rr_1ntt 1
. 1 . 512 . 2 2 7 PDU C5M C -3.820 2.766 11.442 . . . 1.0 . . . . . . . . . . . . B . 7 PDU C5M . . . . . . . . . rr_1ntt 1
. 1 . 513 . 2 2 7 PDU C6 C -5.186 -1.815 10.615 . . . 1.0 . . . . . . . . . . . . B . 7 PDU C6 . . . . . . . . . rr_1ntt 1
. 1 . 514 . 2 2 7 PDU H1' H -6.527 -4.775 9.354 . . . 1.0 . . . . . . . . . . . . B . 7 PDU H1' . . . . . . . . . rr_1ntt 1
. 1 . 515 . 2 2 7 PDU H2' H -6.483 -4.525 12.136 . . . 1.0 . . . . . . . . . . . . B . 7 PDU H2' . . . . . . . . . rr_1ntt 1
. 1 . 516 . 2 2 7 PDU H2'' H -7.703 -5.378 11.180 . . . 1.0 . . . . . . . . . . . . B . 7 PDU H2'' . . . . . . . . . rr_1ntt 1
. 1 . 517 . 2 2 7 PDU H3 H -2.073 -3.881 9.747 . . . 1.0 . . . . . . . . . . . . B . 7 PDU H3 . . . . . . . . . rr_1ntt 1
. 1 . 518 . 2 2 7 PDU H3' H -7.826 -2.496 12.203 . . . 1.0 . . . . . . . . . . . . B . 7 PDU H3' . . . . . . . . . rr_1ntt 1
. 1 . 519 . 2 2 7 PDU H4' H -9.477 -3.663 9.875 . . . 1.0 . . . . . . . . . . . . B . 7 PDU H4' . . . . . . . . . rr_1ntt 1
. 1 . 520 . 2 2 7 PDU H5' H -9.652 -1.303 9.119 . . . 1.0 . . . . . . . . . . . . B . 7 PDU H5' . . . . . . . . . rr_1ntt 1
. 1 . 521 . 2 2 7 PDU H5'' H -10.356 -1.515 10.725 . . . 1.0 . . . . . . . . . . . . B . 7 PDU H5'' . . . . . . . . . rr_1ntt 1
. 1 . 522 . 2 2 7 PDU H6 H -6.105 -1.279 10.863 . . . 1.0 . . . . . . . . . . . . B . 7 PDU H6 . . . . . . . . . rr_1ntt 1
. 1 . 523 . 2 2 7 PDU H71 H -3.215 2.981 12.341 . . . 1.0 . . . . . . . . . . . . B . 7 PDU H71 . . . . . . . . . rr_1ntt 1
. 1 . 524 . 2 2 7 PDU H72 H -3.376 3.314 10.590 . . . 1.0 . . . . . . . . . . . . B . 7 PDU H72 . . . . . . . . . rr_1ntt 1
. 1 . 525 . 2 2 7 PDU H73 H -4.837 3.169 11.608 . . . 1.0 . . . . . . . . . . . . B . 7 PDU H73 . . . . . . . . . rr_1ntt 1
. 1 . 526 . 2 2 7 PDU HO3' H -9.955 -3.173 12.610 . . . 1.0 . . . . . . . . . . . . B . 7 PDU HO3' . . . . . . . . . rr_1ntt 1
. 1 . 527 . 2 2 7 PDU N1 N -5.276 -3.239 10.182 . . . 1.0 . . . . . . . . . . . . B . 7 PDU N1 . . . . . . . . . rr_1ntt 1
. 1 . 528 . 2 2 7 PDU N3 N -2.901 -3.319 9.968 . . . 1.0 . . . . . . . . . . . . B . 7 PDU N3 . . . . . . . . . rr_1ntt 1
. 1 . 529 . 2 2 7 PDU O2 O -4.106 -5.109 9.519 . . . 1.0 . . . . . . . . . . . . B . 7 PDU O2 . . . . . . . . . rr_1ntt 1
. 1 . 530 . 2 2 7 PDU O3' O -9.351 -3.899 12.429 . . . 1.0 . . . . . . . . . . . . B . 7 PDU O3' . . . . . . . . . rr_1ntt 1
. 1 . 531 . 2 2 7 PDU O4 O -1.562 -1.580 10.393 . . . 1.0 . . . . . . . . . . . . B . 7 PDU O4 . . . . . . . . . rr_1ntt 1
. 1 . 532 . 2 2 7 PDU O4' O -7.572 -2.990 9.431 . . . 1.0 . . . . . . . . . . . . B . 7 PDU O4' . . . . . . . . . rr_1ntt 1
. 1 . 533 . 2 2 7 PDU O5' O -8.531 -0.503 10.695 . . . 1.0 . . . . . . . . . . . . B . 7 PDU O5' . . . . . . . . . rr_1ntt 1
. 1 . 534 . 2 2 7 PDU OP1 O -10.298 1.329 11.045 . . . 1.0 . . . . . . . . . . . . B . 7 PDU OP1 . . . . . . . . . rr_1ntt 1
. 1 . 535 . 2 2 7 PDU OP2 O -7.889 1.870 11.428 . . . 1.0 . . . . . . . . . . . . B . 7 PDU OP2 . . . . . . . . . rr_1ntt 1
. 1 . 536 . 2 2 7 PDU P P -8.868 1.076 10.561 . . . 1.0 . . . . . . . . . . . . B . 7 PDU P . . . . . . . . . rr_1ntt 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_1ntt
_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 1ntt.mr . . "MR format" 1 comment "Not applicable" "Not applicable" 0 rr_1ntt 1
1 1ntt.mr . . DISCOVER 2 distance "hydrogen bond" simple 18 rr_1ntt 1
1 1ntt.mr . . DISCOVER 3 distance NOE simple 160 rr_1ntt 1
1 1ntt.mr . . DISCOVER 4 "dihedral angle" "Not applicable" "Not applicable" 59 rr_1ntt 1
1 1ntt.mr . . "MR format" 5 "nomenclature mapping" "Not applicable" "Not applicable" 0 rr_1ntt 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_1ntt
_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: '1ntt'" . . . . distance "general distance" . 125 rr_1ntt 1
2 "From CCPN project: '1ntt'" . . . . distance "hydrogen bond" . 18 rr_1ntt 1
3 "From CCPN project: '1ntt'" . . . . "dihedral angle" "Not applicable" . 59 rr_1ntt 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 1ntt.mr . . "MR format" 1 comment "Not applicable" "Not applicable" 0 rr_1ntt 1
1 1ntt.mr . . DISCOVER 2 distance "hydrogen bond" simple 18 rr_1ntt 1
1 1ntt.mr . . DISCOVER 3 distance NOE simple 160 rr_1ntt 1
1 1ntt.mr . . DISCOVER 4 "dihedral angle" "Not applicable" "Not applicable" 59 rr_1ntt 1
1 1ntt.mr . . "MR format" 5 "nomenclature mapping" "Not applicable" "Not applicable" 0 rr_1ntt 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_1ntt
_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_1ntt 1
stop_
loop_
_Gen_dist_constraint.ID
_Gen_dist_constraint.Member_ID
_Gen_dist_constraint.Member_logic_code
_Gen_dist_constraint.Assembly_atom_ID_1
_Gen_dist_constraint.Entity_assembly_ID_1
_Gen_dist_constraint.Entity_ID_1
_Gen_dist_constraint.Comp_index_ID_1
_Gen_dist_constraint.Seq_ID_1
_Gen_dist_constraint.Comp_ID_1
_Gen_dist_constraint.Atom_ID_1
_Gen_dist_constraint.Atom_type_1
_Gen_dist_constraint.Atom_isotope_number_1
_Gen_dist_constraint.Resonance_ID_1
_Gen_dist_constraint.Assembly_atom_ID_2
_Gen_dist_constraint.Entity_assembly_ID_2
_Gen_dist_constraint.Entity_ID_2
_Gen_dist_constraint.Comp_index_ID_2
_Gen_dist_constraint.Seq_ID_2
_Gen_dist_constraint.Comp_ID_2
_Gen_dist_constraint.Atom_ID_2
_Gen_dist_constraint.Atom_type_2
_Gen_dist_constraint.Atom_isotope_number_2
_Gen_dist_constraint.Resonance_ID_2
_Gen_dist_constraint.Intensity_val
_Gen_dist_constraint.Intensity_lower_val_err
_Gen_dist_constraint.Intensity_upper_val_err
_Gen_dist_constraint.Distance_val
_Gen_dist_constraint.Distance_lower_bound_val
_Gen_dist_constraint.Distance_upper_bound_val
_Gen_dist_constraint.Contribution_fractional_val
_Gen_dist_constraint.Spectral_peak_ID
_Gen_dist_constraint.Spectral_peak_list_ID
_Gen_dist_constraint.PDB_record_ID_1
_Gen_dist_constraint.PDB_model_num_1
_Gen_dist_constraint.PDB_strand_ID_1
_Gen_dist_constraint.PDB_ins_code_1
_Gen_dist_constraint.PDB_residue_no_1
_Gen_dist_constraint.PDB_residue_name_1
_Gen_dist_constraint.PDB_atom_name_1
_Gen_dist_constraint.PDB_record_ID_2
_Gen_dist_constraint.PDB_model_num_2
_Gen_dist_constraint.PDB_strand_ID_2
_Gen_dist_constraint.PDB_ins_code_2
_Gen_dist_constraint.PDB_residue_no_2
_Gen_dist_constraint.PDB_residue_name_2
_Gen_dist_constraint.PDB_atom_name_2
_Gen_dist_constraint.Auth_entity_assembly_ID_1
_Gen_dist_constraint.Auth_asym_ID_1
_Gen_dist_constraint.Auth_chain_ID_1
_Gen_dist_constraint.Auth_seq_ID_1
_Gen_dist_constraint.Auth_comp_ID_1
_Gen_dist_constraint.Auth_atom_ID_1
_Gen_dist_constraint.Auth_alt_ID_1
_Gen_dist_constraint.Auth_atom_name_1
_Gen_dist_constraint.Auth_entity_assembly_ID_2
_Gen_dist_constraint.Auth_asym_ID_2
_Gen_dist_constraint.Auth_chain_ID_2
_Gen_dist_constraint.Auth_seq_ID_2
_Gen_dist_constraint.Auth_comp_ID_2
_Gen_dist_constraint.Auth_atom_ID_2
_Gen_dist_constraint.Auth_alt_ID_2
_Gen_dist_constraint.Auth_atom_name_2
_Gen_dist_constraint.Entry_ID
_Gen_dist_constraint.Gen_dist_constraint_list_ID
1 1 . . 2 2 1 1 DC H6 H . . . 2 2 1 1 DC H1' H . . . . . . 2.826 5.248 . . . . . B . 1 DC H6 . . B . 1 DC H1' . B . 1 PC5' H6 . . . B . 1 PC5' H1' . . rr_1ntt 1
2 1 . . 2 2 1 1 DC H6 H . . . 2 2 1 1 DC H3' H . . . . . . 2.688 4.993 . . . . . B . 1 DC H3' . . B . 1 DC H6 . B . 1 PC5' H3' . . . B . 1 PC5' H6 . . rr_1ntt 1
3 1 . . 2 2 1 1 DC H3' H . . . 2 2 2 2 5PC H6 H . . . . . . 2.338 4.343 . . . . . B . 1 DC H3' . . B . 2 5PC H6 . B . 1 PC5' H3' . . . B . 2 PC H6 . . rr_1ntt 1
4 1 . . 2 2 1 1 DC H1' H . . . 2 2 1 1 DC H4' H . . . . . . 2.419 4.493 . . . . . B . 1 DC H4' . . B . 1 DC H1' . B . 1 PC5' H4' . . . B . 1 PC5' H1' . . rr_1ntt 1
5 1 . . 1 1 1 1 A H2 H . . . 1 1 2 2 A H1' H . . . . . . 2.379 4.418 . . . . . A . 2 A H2 . . A . 3 A H1' . 1 . 2 A H2 . . . 1 . 3 A H1' . . rr_1ntt 1
6 1 . . 2 2 1 1 DC H1' H . . . 2 2 2 2 5PC H6 H . . . . . . 2.424 4.501 . . . . . B . 2 5PC H6 . . B . 1 DC H1' . B . 2 PC H6 . . . B . 1 PC5' H1' . . rr_1ntt 1
7 1 . . 1 1 1 1 A H8 H . . . 1 1 1 1 A H1' H . . . . . . 2.261 4.198 . . . . . A . 2 A H8 . . A . 2 A H1' . 1 . 2 A H8 . . . 1 . 2 A H1' . . rr_1ntt 1
8 1 . . 1 1 1 1 A H8 H . . . 1 1 1 1 A H2' H . . . . . . 2.492 4.628 . . . . . A . 2 A H8 . . A . 2 A H2' . 1 . 2 A H8 . . . 1 . 2 A H2' . . rr_1ntt 1
9 1 . . 1 1 1 1 A H8 H . . . 1 1 1 1 A H3' H . . . . . . 2.478 4.602 . . . . . A . 2 A H8 . . A . 2 A H3' . 1 . 2 A H8 . . . 1 . 2 A H3' . . rr_1ntt 1
10 1 . . 2 2 2 2 5PC H6 H . . . 2 2 2 2 5PC H1' H . . . . . . 2.171 4.031 . . . . . B . 2 5PC H1' . . B . 2 5PC H6 . B . 2 PC H1' . . . B . 2 PC H6 . . rr_1ntt 1
11 1 . . 1 1 1 1 A H1' H . . . 1 1 1 1 A H2' H . . . . . . 1.981 3.679 . . . . . A . 2 A H1' . . A . 2 A H2' . 1 . 2 A H1' . . . 1 . 2 A H2' . . rr_1ntt 1
12 1 . . 1 1 1 1 A H1' H . . . 1 1 1 1 A H3' H . . . . . . 2.461 4.571 . . . . . A . 2 A H1' . . A . 2 A H3' . 1 . 2 A H1' . . . 1 . 2 A H3' . . rr_1ntt 1
13 1 . . 2 2 2 2 5PC H1' H . . . 2 2 2 2 5PC H4' H . . . . . . 2.694 5.002 . . . . . B . 2 5PC H1' . . B . 2 5PC H4' . B . 2 PC H1' . . . B . 2 PC H4' . . rr_1ntt 1
14 1 . . 1 1 1 1 A H1' H . . . 1 1 2 2 A H8 H . . . . . . 2.831 5.258 . . . . . A . 2 A H1' . . A . 3 A H8 . 1 . 2 A H1' . . . 1 . 3 A H8 . . rr_1ntt 1
15 1 . . 2 2 2 2 5PC H6 H . . . 2 2 2 2 5PC H3' H . . . . . . 2.200 4.085 . . . . . B . 2 5PC H3' . . B . 2 5PC H6 . B . 2 PC H3' . . . B . 2 PC H6 . . rr_1ntt 1
16 1 . . 1 1 1 1 A H3' H . . . 1 1 2 2 A H8 H . . . . . . 2.218 4.120 . . . . . A . 2 A H3' . . A . 3 A H8 . 1 . 2 A H3' . . . 1 . 3 A H8 . . rr_1ntt 1
17 1 . . 2 2 2 2 5PC H6 H . . . 2 2 2 2 5PC H4' H . . . . . . 2.623 4.871 . . . . . B . 2 5PC H4' . . B . 2 5PC H6 . B . 2 PC H4' . . . B . 2 PC H6 . . rr_1ntt 1
18 1 . . 1 1 1 1 A H1' H . . . 1 1 1 1 A H4' H . . . . . . 2.415 4.484 . . . . . A . 2 A H4' . . A . 2 A H1' . 1 . 2 A H4' . . . 1 . 2 A H1' . . rr_1ntt 1
19 1 . . 2 2 3 3 PDU H6 H . . . 2 2 3 3 PDU H1' H . . . . . . 2.582 4.794 . . . . . B . 3 PDU H6 . . B . 3 PDU H1' . B . 3 PU H6 . . . B . 3 PU H1' . . rr_1ntt 1
20 1 . . 2 2 3 3 PDU H6 H . . . 2 2 3 3 PDU H4' H . . . . . . 2.812 5.223 . . . . . B . 3 PDU H6 . . B . 3 PDU H4' . B . 3 PU H6 . . . B . 3 PU H4' . . rr_1ntt 1
21 1 . . 1 1 1 1 A H2' H . . . 1 1 2 2 A H8 H . . . . . . 2.080 3.862 . . . . . A . 3 A H8 . . A . 2 A H2' . 1 . 3 A H8 . . . 1 . 2 A H2' . . rr_1ntt 1
22 1 . . 1 1 2 2 A H1' H . . . 1 1 2 2 A H8 H . . . . . . 2.792 5.186 . . . . . A . 3 A H8 . . A . 3 A H1' . 1 . 3 A H8 . . . 1 . 3 A H1' . . rr_1ntt 1
23 1 . . 1 1 2 2 A H1' H . . . 1 1 2 2 A H2' H . . . . . . 2.613 4.852 . . . . . A . 3 A H2' . . A . 3 A H1' . 1 . 3 A H2' . . . 1 . 3 A H1' . . rr_1ntt 1
24 1 . . 1 1 2 2 A H2' H . . . 1 1 3 3 A H8 H . . . . . . 2.449 4.548 . . . . . A . 3 A H2' . . A . 4 A H8 . 1 . 3 A H2' . . . 1 . 4 A H8 . . rr_1ntt 1
25 1 . . 2 2 3 3 PDU H6 H . . . 2 2 3 3 PDU H3' H . . . . . . 2.490 4.625 . . . . . B . 3 PDU H3' . . B . 3 PDU H6 . B . 3 PU H3' . . . B . 3 PU H6 . . rr_1ntt 1
26 1 . . 1 1 2 2 A H8 H . . . 1 1 2 2 A H3' H . . . . . . 2.174 4.037 . . . . . A . 3 A H3' . . A . 3 A H8 . 1 . 3 A H3' . . . 1 . 3 A H8 . . rr_1ntt 1
27 1 . . 2 2 3 3 PDU H1' H . . . 2 2 3 3 PDU H3' H . . . . . . 2.963 5.502 . . . . . B . 3 PDU H3' . . B . 3 PDU H1' . B . 3 PU H3' . . . B . 3 PU H1' . . rr_1ntt 1
28 1 . . 2 2 3 3 PDU H3' H . . . 2 2 4 4 5PC H6 H . . . . . . 2.523 4.685 . . . . . B . 3 PDU H3' . . B . 4 5PC H6 . B . 3 PU H3' . . . B . 4 PC H6 . . rr_1ntt 1
29 1 . . 2 2 3 3 PDU H1' H . . . 2 2 3 3 PDU H4' H . . . . . . 2.196 4.077 . . . . . B . 3 PDU H4' . . B . 3 PDU H1' . B . 3 PU H4' . . . B . 3 PU H1' . . rr_1ntt 1
30 1 . . 1 1 3 3 A H2 H . . . 2 2 7 7 PDU H1' H . . . . . . 2.959 5.495 . . . . . A . 4 A H2 . . B . 7 PDU H1' . 1 . 4 A H2 . . . B . 7 PU3' H1' . . rr_1ntt 1
31 1 . . 2 2 4 4 5PC H6 H . . . 2 2 4 4 5PC H1' H . . . . . . 2.668 4.954 . . . . . B . 4 5PC H6 . . B . 4 5PC H1' . B . 4 PC H6 . . . B . 4 PC H1' . . rr_1ntt 1
32 1 . . 1 1 2 2 A H1' H . . . 1 1 3 3 A H8 H . . . . . . 2.969 5.513 . . . . . A . 4 A H8 . . A . 3 A H1' . 1 . 4 A H8 . . . 1 . 3 A H1' . . rr_1ntt 1
33 1 . . 1 1 3 3 A H8 H . . . 1 1 3 3 A H1' H . . . . . . 3.048 5.661 . . . . . A . 4 A H8 . . A . 4 A H1' . 1 . 4 A H8 . . . 1 . 4 A H1' . . rr_1ntt 1
34 1 . . 1 1 3 3 A H8 H . . . 1 1 3 3 A H2' H . . . . . . 2.754 5.114 . . . . . A . 4 A H8 . . A . 4 A H2' . 1 . 4 A H8 . . . 1 . 4 A H2' . . rr_1ntt 1
35 1 . . 1 1 3 3 A H8 H . . . 1 1 3 3 A H3' H . . . . . . 2.585 4.802 . . . . . A . 4 A H8 . . A . 4 A H3' . 1 . 4 A H8 . . . 1 . 4 A H3' . . rr_1ntt 1
36 1 . . 1 1 3 3 A H1' H . . . 1 1 2 2 A H2 H . . . . . . 2.335 4.336 . . . . . A . 4 A H1' . . A . 3 A H2 . 1 . 4 A H1' . . . 1 . 3 A H2 . . rr_1ntt 1
37 1 . . 1 1 3 3 A H1' H . . . 1 1 3 3 A H2' H . . . . . . 1.998 3.710 . . . . . A . 4 A H1' . . A . 4 A H2' . 1 . 4 A H1' . . . 1 . 4 A H2' . . rr_1ntt 1
38 1 . . 2 2 4 4 5PC H1' H . . . 2 2 4 4 5PC H3' H . . . . . . 2.636 4.895 . . . . . B . 4 5PC H1' . . B . 4 5PC H3' . B . 4 PC H1' . . . B . 4 PC H3' . . rr_1ntt 1
39 1 . . 1 1 3 3 A H1' H . . . 1 1 4 4 G H8 H . . . . . . 2.528 4.694 . . . . . A . 4 A H1' . . A . 5 G H8 . 1 . 4 A H1' . . . 1 . 5 G H8 . . rr_1ntt 1
40 1 . . 2 2 4 4 5PC H1' H . . . 1 1 6 6 A H2 H . . . . . . 3.191 5.926 . . . . . B . 4 5PC H1' . . A . 7 A H2 . B . 4 PC H1' . . . 1 . 7 A H2 . . rr_1ntt 1
41 1 . . 1 1 3 3 A H2' H . . . 1 1 4 4 G H1' H . . . . . . 2.801 5.202 . . . . . A . 4 A H2' . . A . 5 G H1' . 1 . 4 A H2' . . . 1 . 5 G H1' . . rr_1ntt 1
42 1 . . 2 2 4 4 5PC H6 H . . . 2 2 4 4 5PC H3' H . . . . . . 2.314 4.297 . . . . . B . 4 5PC H3' . . B . 4 5PC H6 . B . 4 PC H3' . . . B . 4 PC H6 . . rr_1ntt 1
43 1 . . 1 1 3 3 A H1' H . . . 1 1 3 3 A H3' H . . . . . . 2.592 4.813 . . . . . A . 4 A H3' . . A . 4 A H1' . 1 . 4 A H3' . . . 1 . 4 A H1' . . rr_1ntt 1
44 1 . . 2 2 4 4 5PC H6 H . . . 2 2 4 4 5PC H4' H . . . . . . 2.759 5.124 . . . . . B . 4 5PC H4' . . B . 4 5PC H6 . B . 4 PC H4' . . . B . 4 PC H6 . . rr_1ntt 1
45 1 . . 2 2 4 4 5PC H1' H . . . 2 2 4 4 5PC H4' H . . . . . . 2.288 4.250 . . . . . B . 4 5PC H4' . . B . 4 5PC H1' . B . 4 PC H4' . . . B . 4 PC H1' . . rr_1ntt 1
46 1 . . 1 1 3 3 A H1' H . . . 1 1 3 3 A H4' H . . . . . . 2.702 5.018 . . . . . A . 4 A H4' . . A . 4 A H1' . 1 . 4 A H4' . . . 1 . 4 A H1' . . rr_1ntt 1
47 1 . . 2 2 4 4 5PC H1' H . . . 2 2 5 5 5PC H6 H . . . . . . 2.417 4.489 . . . . . B . 5 5PC H6 . . B . 4 5PC H1' . B . 5 PC H6 . . . B . 4 PC H1' . . rr_1ntt 1
48 1 . . 2 2 5 5 5PC H6 H . . . 2 2 5 5 5PC H1' H . . . . . . 2.599 4.827 . . . . . B . 5 5PC H6 . . B . 5 5PC H1' . B . 5 PC H6 . . . B . 5 PC H1' . . rr_1ntt 1
49 1 . . 2 2 5 5 5PC H6 H . . . 2 2 5 5 5PC H3' H . . . . . . 2.168 4.027 . . . . . B . 5 5PC H6 . . B . 5 5PC H3' . B . 5 PC H6 . . . B . 5 PC H3' . . rr_1ntt 1
50 1 . . 2 2 5 5 5PC H6 H . . . 2 2 5 5 5PC H4' H . . . . . . 2.264 4.205 . . . . . B . 5 5PC H6 . . B . 5 5PC H4' . B . 5 PC H6 . . . B . 5 PC H4' . . rr_1ntt 1
51 1 . . 1 1 3 3 A H2' H . . . 1 1 4 4 G H8 H . . . . . . 2.035 3.780 . . . . . A . 5 G H8 . . A . 4 A H2' . 1 . 5 G H8 . . . 1 . 4 A H2' . . rr_1ntt 1
52 1 . . 1 1 3 3 A H3' H . . . 1 1 4 4 G H8 H . . . . . . 2.346 4.346 . . . . . A . 5 G H8 . . A . 4 A H3' . 1 . 5 G H8 . . . 1 . 4 A H3' . . rr_1ntt 1
53 1 . . 1 1 4 4 G H1' H . . . 1 1 4 4 G H2' H . . . . . . 1.983 3.682 . . . . . A . 5 G H2' . . A . 5 G H1' . 1 . 5 G H2' . . . 1 . 5 G H1' . . rr_1ntt 1
54 1 . . 1 1 4 4 G H2' H . . . 1 1 5 5 G H1' H . . . . . . 3.180 5.906 . . . . . A . 5 G H2' . . A . 6 G H1' . 1 . 5 G H2' . . . 1 . 6 G H1' . . rr_1ntt 1
55 1 . . 1 1 4 4 G H8 H . . . 1 1 4 4 G H3' H . . . . . . 2.116 3.930 . . . . . A . 5 G H3' . . A . 5 G H8 . 1 . 5 G H3' . . . 1 . 5 G H8 . . rr_1ntt 1
56 1 . . 1 1 4 4 G H1' H . . . 1 1 4 4 G H3' H . . . . . . 2.535 4.708 . . . . . A . 5 G H3' . . A . 5 G H1' . 1 . 5 G H3' . . . 1 . 5 G H1' . . rr_1ntt 1
57 1 . . 2 2 5 5 5PC H1' H . . . 2 2 5 5 5PC H3' H . . . . . . 2.389 4.437 . . . . . B . 5 5PC H3' . . B . 5 5PC H1' . B . 5 PC H3' . . . B . 5 PC H1' . . rr_1ntt 1
58 1 . . 1 1 4 4 G H3' H . . . 1 1 5 5 G H8 H . . . . . . 2.433 4.518 . . . . . A . 5 G H3' . . A . 6 G H8 . 1 . 5 G H3' . . . 1 . 6 G H8 . . rr_1ntt 1
59 1 . . 1 1 4 4 G H8 H . . . 1 1 4 4 G H4' H . . . . . . 2.766 5.194 . . . . . A . 5 G H4' . . A . 5 G H8 . 1 . 5 G H4' . . . 1 . 5 G H8 . . rr_1ntt 1
60 1 . . 2 2 5 5 5PC H1' H . . . 2 2 5 5 5PC H4' H . . . . . . 2.159 4.009 . . . . . B . 5 5PC H4' . . B . 5 5PC H1' . B . 5 PC H4' . . . B . 5 PC H1' . . rr_1ntt 1
61 1 . . 1 1 4 4 G H1' H . . . 1 1 4 4 G H4' H . . . . . . 2.689 4.994 . . . . . A . 5 G H4' . . A . 5 G H1' . 1 . 5 G H4' . . . 1 . 5 G H1' . . rr_1ntt 1
62 1 . . 2 2 5 5 5PC H1' H . . . 2 2 6 6 PDU H6 H . . . . . . 2.418 4.491 . . . . . B . 6 PDU H6 . . B . 5 5PC H1' . B . 6 PU H6 . . . B . 5 PC H1' . . rr_1ntt 1
63 1 . . 2 2 6 6 PDU H6 H . . . 2 2 6 6 PDU H1' H . . . . . . 2.736 5.080 . . . . . B . 6 PDU H6 . . B . 6 PDU H1' . B . 6 PU H6 . . . B . 6 PU H1' . . rr_1ntt 1
64 1 . . 2 2 6 6 PDU H6 H . . . 2 2 6 6 PDU H3' H . . . . . . 2.276 4.271 . . . . . B . 6 PDU H6 . . B . 6 PDU H3' . B . 6 PU H6 . . . B . 6 PU H3' . . rr_1ntt 1
65 1 . . 2 2 6 6 PDU H6 H . . . 2 2 6 6 PDU H4' H . . . . . . 2.762 5.129 . . . . . B . 6 PDU H6 . . B . 6 PDU H4' . B . 6 PU H6 . . . B . 6 PU H4' . . rr_1ntt 1
66 1 . . 1 1 4 4 G H1' H . . . 1 1 5 5 G H8 H . . . . . . 2.865 5.320 . . . . . A . 6 G H8 . . A . 5 G H1' . 1 . 6 G H8 . . . 1 . 5 G H1' . . rr_1ntt 1
67 1 . . 1 1 4 4 G H2' H . . . 1 1 5 5 G H8 H . . . . . . 2.137 3.968 . . . . . A . 6 G H8 . . A . 5 G H2' . 1 . 6 G H8 . . . 1 . 5 G H2' . . rr_1ntt 1
68 1 . . 1 1 5 5 G H1' H . . . 1 1 5 5 G H8 H . . . . . . 3.213 5.968 . . . . . A . 6 G H8 . . A . 6 G H1' . 1 . 6 G H8 . . . 1 . 6 G H1' . . rr_1ntt 1
69 1 . . 1 1 5 5 G H8 H . . . 1 1 5 5 G H3' H . . . . . . 2.710 5.032 . . . . . A . 6 G H8 . . A . 6 G H3' . 1 . 6 G H8 . . . 1 . 6 G H3' . . rr_1ntt 1
70 1 . . 1 1 5 5 G H1' H . . . 1 1 5 5 G H3' H . . . . . . 2.624 4.981 . . . . . A . 6 G H1' . . A . 6 G H3' . 1 . 6 G H1' . . . 1 . 6 G H3' . . rr_1ntt 1
71 1 . . 2 2 6 6 PDU H1' H . . . 2 2 6 6 PDU H4' H . . . . . . 2.232 4.145 . . . . . B . 6 PDU H1' . . B . 6 PDU H4' . B . 6 PU H1' . . . B . 6 PU H4' . . rr_1ntt 1
72 1 . . 2 2 6 6 PDU H1' H . . . 2 2 7 7 PDU H6 H . . . . . . 2.464 4.576 . . . . . B . 6 PDU H1' . . B . 7 PDU H6 . B . 6 PU H1' . . . B . 7 PU3' H6 . . rr_1ntt 1
73 1 . . 1 1 5 5 G H1' H . . . 1 1 6 6 A H8 H . . . . . . 2.431 4.515 . . . . . A . 6 G H1' . . A . 7 A H8 . 1 . 6 G H1' . . . 1 . 7 A H8 . . rr_1ntt 1
74 1 . . 1 1 5 5 G H1' H . . . 1 1 5 5 G H2' H . . . . . . 1.944 3.610 . . . . . A . 6 G H2' . . A . 6 G H1' . 1 . 6 G H2' . . . 1 . 6 G H1' . . rr_1ntt 1
75 1 . . 1 1 5 5 G H2' H . . . 1 1 6 6 A H1' H . . . . . . 2.446 4.542 . . . . . A . 6 G H2' . . A . 7 A H1' . 1 . 6 G H2' . . . 1 . 7 A H1' . . rr_1ntt 1
76 1 . . 2 2 6 6 PDU H1' H . . . 2 2 6 6 PDU H3' H . . . . . . 2.540 4.717 . . . . . B . 6 PDU H3' . . B . 6 PDU H1' . B . 6 PU H3' . . . B . 6 PU H1' . . rr_1ntt 1
77 1 . . 2 2 6 6 PDU H3' H . . . 2 2 7 7 PDU H6 H . . . . . . 2.588 4.807 . . . . . B . 6 PDU H3' . . B . 7 PDU H6 . B . 6 PU H3' . . . B . 7 PU3' H6 . . rr_1ntt 1
78 1 . . 1 1 5 5 G H3' H . . . 1 1 6 6 A H8 H . . . . . . 2.841 5.276 . . . . . A . 6 G H3' . . A . 7 A H8 . 1 . 6 G H3' . . . 1 . 7 A H8 . . rr_1ntt 1
79 1 . . 1 1 5 5 G H1' H . . . 1 1 5 5 G H4' H . . . . . . 2.501 4.645 . . . . . A . 6 G H4' . . A . 6 G H1' . 1 . 6 G H4' . . . 1 . 6 G H1' . . rr_1ntt 1
80 1 . . 2 2 7 7 PDU H1' H . . . 2 2 7 7 PDU H6 H . . . . . . 2.321 4.311 . . . . . B . 7 PDU H6 . . B . 7 PDU H1' . B . 7 PU3' H6 . . . B . 7 PU3' H1' . . rr_1ntt 1
81 1 . . 1 1 6 6 A H8 H . . . 1 1 6 6 A H1' H . . . . . . 3.084 5.727 . . . . . A . 7 A H8 . . A . 7 A H1' . 1 . 7 A H8 . . . 1 . 7 A H1' . . rr_1ntt 1
82 1 . . 1 1 6 6 A H8 H . . . 1 1 6 6 A H2' H . . . . . . 0.000 5.000 . . . . . A . 7 A H8 . . A . 7 A H2' . 1 . 7 A H8 . . . 1 . 7 A H2' . . rr_1ntt 1
83 1 . . 1 1 6 6 A H8 H . . . 1 1 6 6 A H4' H . . . . . . 0.000 5.000 . . . . . A . 7 A H8 . . A . 7 A H4' . 1 . 7 A H8 . . . 1 . 7 A H4' . . rr_1ntt 1
84 1 . . 1 1 6 6 A H1' H . . . 1 1 6 6 A H2' H . . . . . . 2.556 4.747 . . . . . A . 7 A H1' . . A . 7 A H2' . 1 . 7 A H1' . . . 1 . 7 A H2' . . rr_1ntt 1
85 1 . . 2 2 7 7 PDU H1' H . . . 2 2 7 7 PDU H3' H . . . . . . 2.913 5.410 . . . . . B . 7 PDU H1' . . B . 7 PDU H3' . B . 7 PU3' H1' . . . B . 7 PU3' H3' . . rr_1ntt 1
86 1 . . 1 1 6 6 A H1' H . . . 1 1 6 6 A H3' H . . . . . . 2.261 4.200 . . . . . A . 7 A H1' . . A . 7 A H3' . 1 . 7 A H1' . . . 1 . 7 A H3' . . rr_1ntt 1
87 1 . . 1 1 6 6 A H1' H . . . 1 1 6 6 A H4' H . . . . . . 2.448 4.547 . . . . . A . 7 A H1' . . A . 7 A H4' . 1 . 7 A H1' . . . 1 . 7 A H4' . . rr_1ntt 1
88 1 . . 1 1 6 6 A H1' H . . . 1 1 7 7 G H8 H . . . . . . 2.619 4.863 . . . . . A . 7 A H1' . . A . 8 G H8 . 1 . 7 A H1' . . . 1 . 8 G H8 . . rr_1ntt 1
89 1 . . 2 2 7 7 PDU H6 H . . . 2 2 7 7 PDU H3' H . . . . . . 2.211 4.107 . . . . . B . 7 PDU H3' . . B . 7 PDU H6 . B . 7 PU3' H3' . . . B . 7 PU3' H6 . . rr_1ntt 1
90 1 . . 1 1 6 6 A H8 H . . . 1 1 6 6 A H3' H . . . . . . 2.662 4.943 . . . . . A . 7 A H3' . . A . 7 A H8 . 1 . 7 A H3' . . . 1 . 7 A H8 . . rr_1ntt 1
91 1 . . 1 1 6 6 A H3' H . . . 1 1 7 7 G H8 H . . . . . . 2.126 3.947 . . . . . A . 7 A H3' . . A . 8 G H8 . 1 . 7 A H3' . . . 1 . 8 G H8 . . rr_1ntt 1
92 1 . . 2 2 7 7 PDU H6 H . . . 2 2 7 7 PDU H4' H . . . . . . 2.552 4.740 . . . . . B . 7 PDU H4' . . B . 7 PDU H6 . B . 7 PU3' H4' . . . B . 7 PU3' H6 . . rr_1ntt 1
93 1 . . 2 2 7 7 PDU H1' H . . . 2 2 7 7 PDU H4' H . . . . . . 2.306 4.282 . . . . . B . 7 PDU H4' . . B . 7 PDU H1' . B . 7 PU3' H4' . . . B . 7 PU3' H1' . . rr_1ntt 1
94 1 . . 1 1 6 6 A H2' H . . . 1 1 7 7 G H8 H . . . . . . 2.199 4.084 . . . . . A . 8 G H8 . . A . 7 A H2' . 1 . 8 G H8 . . . 1 . 7 A H2' . . rr_1ntt 1
95 1 . . 1 1 7 7 G H8 H . . . 1 1 7 7 G H1' H . . . . . . 2.921 5.425 . . . . . A . 8 G H8 . . A . 8 G H1' . 1 . 8 G H8 . . . 1 . 8 G H1' . . rr_1ntt 1
96 1 . . 1 1 7 7 G H8 H . . . 1 1 7 7 G H4' H . . . . . . 2.581 4.794 . . . . . A . 8 G H8 . . A . 8 G H4' . 1 . 8 G H8 . . . 1 . 8 G H4' . . rr_1ntt 1
97 1 . . 1 1 6 6 A H2 H . . . 1 1 7 7 G H1' H . . . . . . 2.145 3.983 . . . . . A . 8 G H1' . . A . 7 A H2 . 1 . 8 G H1' . . . 1 . 7 A H2 . . rr_1ntt 1
98 1 . . 1 1 7 7 G H1' H . . . 1 1 7 7 G H3' H . . . . . . 2.449 4.548 . . . . . A . 8 G H1' . . A . 8 G H3' . 1 . 8 G H1' . . . 1 . 8 G H3' . . rr_1ntt 1
99 1 . . 1 1 7 7 G H1' H . . . 1 1 7 7 G H2' H . . . . . . 1.985 3.687 . . . . . A . 8 G H2' . . A . 8 G H1' . 1 . 8 G H2' . . . 1 . 8 G H1' . . rr_1ntt 1
100 1 . . 1 1 7 7 G H1' H . . . 1 1 7 7 G H4' H . . . . . . 2.634 4.891 . . . . . A . 8 G H4' . . A . 8 G H1' . 1 . 8 G H4' . . . 1 . 8 G H1' . . rr_1ntt 1
101 1 . . 1 1 7 7 G H1' H . . . 1 1 8 8 G H8 H . . . . . . 2.629 4.882 . . . . . A . 9 G H8 . . A . 8 G H1' . 1 . 9 G H8 . . . 1 . 8 G H1' . . rr_1ntt 1
102 1 . . 1 1 7 7 G H2' H . . . 1 1 8 8 G H8 H . . . . . . 2.053 3.812 . . . . . A . 9 G H8 . . A . 8 G H2' . 1 . 9 G H8 . . . 1 . 8 G H2' . . rr_1ntt 1
103 1 . . 1 1 7 7 G H3' H . . . 1 1 8 8 G H8 H . . . . . . 2.234 4.148 . . . . . A . 9 G H8 . . A . 8 G H3' . 1 . 9 G H8 . . . 1 . 8 G H3' . . rr_1ntt 1
104 1 . . 1 1 8 8 G H8 H . . . 1 1 8 8 G H1' H . . . . . . 2.893 5.372 . . . . . A . 9 G H8 . . A . 9 G H1' . 1 . 9 G H8 . . . 1 . 9 G H1' . . rr_1ntt 1
105 1 . . 1 1 8 8 G H8 H . . . 1 1 8 8 G H3' H . . . . . . 2.353 4.369 . . . . . A . 9 G H8 . . A . 9 G H3' . 1 . 9 G H8 . . . 1 . 9 G H3' . . rr_1ntt 1
106 1 . . 1 1 8 8 G H1' H . . . 1 1 8 8 G H3' H . . . . . . 2.492 4.639 . . . . . A . 9 G H1' . . A . 9 G H3' . 1 . 9 G H1' . . . 1 . 9 G H3' . . rr_1ntt 1
107 1 . . 1 1 8 8 G H1' H . . . 1 1 8 8 G H4' H . . . . . . 2.253 4.183 . . . . . A . 9 G H1' . . A . 9 G H4' . 1 . 9 G H1' . . . 1 . 9 G H4' . . rr_1ntt 1
108 1 . . 1 1 8 8 G H1' H . . . 1 1 8 8 G H2' H . . . . . . 1.921 3.567 . . . . . A . 9 G H2' . . A . 9 G H1' . 1 . 9 G H2' . . . 1 . 9 G H1' . . rr_1ntt 1
109 1 . . 1 1 8 8 G H3' H . . . 1 1 9 9 A H8 H . . . . . . 2.379 4.417 . . . . . A . 9 G H3' . . A . 10 A H8 . 1 . 9 G H3' . . . 1 . 10 A H8 . . rr_1ntt 1
110 1 . . 2 2 1 1 DC H1' H . . . 1 1 9 9 A H2 H . . . . . . 2.874 5.337 . . . . . A . 10 A H2 . . B . 1 DC H1' . 1 . 10 A H2 . . . B . 1 PC5' H1' . . rr_1ntt 1
111 1 . . 1 1 8 8 G H2' H . . . 1 1 9 9 A H8 H . . . . . . 1.956 3.633 . . . . . A . 10 A H8 . . A . 9 G H2' . 1 . 10 A H8 . . . 1 . 9 G H2' . . rr_1ntt 1
112 1 . . 1 1 9 9 A H8 H . . . 1 1 9 9 A H1' H . . . . . . 2.529 4.697 . . . . . A . 10 A H8 . . A . 10 A H1' . 1 . 10 A H8 . . . 1 . 10 A H1' . . rr_1ntt 1
113 1 . . 1 1 9 9 A H1' H . . . 1 1 9 9 A H2' H . . . . . . 1.974 3.667 . . . . . A . 10 A H2' . . A . 10 A H1' . 1 . 10 A H2' . . . 1 . 10 A H1' . . rr_1ntt 1
114 1 . . 1 1 9 9 A H8 H . . . 1 1 9 9 A H3' H . . . . . . 2.296 4.263 . . . . . A . 10 A H3' . . A . 10 A H8 . 1 . 10 A H3' . . . 1 . 10 A H8 . . rr_1ntt 1
115 1 . . 1 1 9 9 A H1' H . . . 1 1 9 9 A H3' H . . . . . . 2.632 4.889 . . . . . A . 10 A H3' . . A . 10 A H1' . 1 . 10 A H3' . . . 1 . 10 A H1' . . rr_1ntt 1
116 1 . . 1 1 9 9 A H1' H . . . 1 1 9 9 A H4' H . . . . . . 0.000 5.000 . . . . . A . 10 A H1' . . A . 10 A H4' . 1 . 10 A H1' . . . 1 . 10 A H4' . . rr_1ntt 1
117 1 . . 1 1 8 8 G H2' H . . . 1 1 9 9 A H1' H . . . . . . 3.238 6.000 . . . . . A . 10 A H1' . . A . 9 G H2' . 1 . 10 A H1' . . . 1 . 9 G H2' . . rr_1ntt 1
118 1 . . 1 1 8 8 G H1' H . . . 1 1 9 9 A H8 H . . . . . . 2.536 4.710 . . . . . A . 10 A H8 . . A . 9 G H1' . 1 . 10 A H8 . . . 1 . 9 G H1' . . rr_1ntt 1
119 1 . . 1 1 2 2 A H1' H . . . 1 1 1 1 A H2' H . . . . . . 3.327 6.000 . . . . . A . 3 A H1' . . A . 2 A H2' . 1 . 3 A H1' . . . 1 . 2 A H2' . . rr_1ntt 1
120 1 . . 1 1 2 2 A H8 H . . . 1 1 2 2 A H2' H . . . . . . 3.007 5.585 . . . . . A . 3 A H8 . . A . 3 A H2' . 1 . 3 A H8 . . . 1 . 3 A H2' . . rr_1ntt 1
121 1 . . 1 1 3 3 A H2 H . . . 1 1 4 4 G H1' H . . . . . . 2.348 4.360 . . . . . A . 4 A H2 . . A . 5 G H1' . 1 . 4 A H2 . . . 1 . 5 G H1' . . rr_1ntt 1
122 1 . . 1 1 6 6 A H8 H . . . 1 1 5 5 G H2' H . . . . . . 0.000 5.000 . . . . . A . 7 A H8 . . A . 6 G H2' . 1 . 7 A H8 . . . 1 . 6 G H2' . . rr_1ntt 1
123 1 . . 1 1 4 4 G H8 H . . . 1 1 4 4 G H1' H . . . . . . 3.345 6.000 . . . . . A . 5 G H8 . . A . 5 G H1' . 1 . 5 G H8 . . . 1 . 5 G H1' . . rr_1ntt 1
124 1 . . 1 1 7 7 G H8 H . . . 1 1 7 7 G H3' H . . . . . . 0.000 5.000 . . . . . A . 8 G H8 . . A . 8 G H3' . 1 . 8 G H8 . . . 1 . 8 G H3' . . rr_1ntt 1
125 1 . . 2 2 3 3 PDU H1' H . . . 2 2 4 4 5PC H6 H . . . . . . 2.458 4.564 . . . . . B . 4 5PC H6 . . B . 3 PDU H1' . B . 4 PC H6 . . . B . 3 PU H1' . . rr_1ntt 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 "************ STRANDS 1 & 2 TOGETHER" 1 1 6 1 rr_1ntt 1
2 "4.032 0.30/0.30:" 7 81 7 100 rr_1ntt 1
3 "3.058 0.30/0.30:" 8 81 8 100 rr_1ntt 1
4 "3.241 0.30/0.30:" 10 81 10 100 rr_1ntt 1
5 "3.297 0.30/0.30:" 12 81 12 106 rr_1ntt 1
6 "3.359 0.30/0.30:" 13 81 13 100 rr_1ntt 1
7 "3.141 0.30/0.30:" 14 81 14 106 rr_1ntt 1
8 "3.515 0.30/0.30:" 15 81 15 106 rr_1ntt 1
9 "3.434 0.30/0.30:" 16 81 16 106 rr_1ntt 1
10 "3.008 0.30/0.30:" 17 81 17 100 rr_1ntt 1
11 "2.652 0.30/0.30:" 18 81 18 100 rr_1ntt 1
12 "2.762 0.30/0.30:" 19 81 19 112 rr_1ntt 1
13 "3.411 0.30/0.30:" 20 81 20 106 rr_1ntt 1
14 "3.733 0.30/0.30:" 21 81 21 106 rr_1ntt 1
15 "3.850 0.30/0.30:" 22 81 22 106 rr_1ntt 1
16 "2.975 0.30/0.30:" 23 81 23 100 rr_1ntt 1
17 "3.006 0.30/0.30:" 24 81 24 100 rr_1ntt 1
18 "3.075 0.30/0.30:" 25 81 25 106 rr_1ntt 1
19 "3.635 0.30/0.30:" 26 81 26 106 rr_1ntt 1
20 "3.311 0.30/0.30:" 27 81 27 106 rr_1ntt 1
21 "3.096 0.30/0.30:" 28 81 28 100 rr_1ntt 1
22 "2.808 0.30/0.30:" 29 81 29 100 rr_1ntt 1
23 "3.578 0.30/0.30:" 30 81 30 100 rr_1ntt 1
24 "3.423 0.30/0.30:" 31 81 31 100 rr_1ntt 1
25 "3.897 0.30/0.30:" 32 81 32 100 rr_1ntt 1
26 "2.967 0.30/0.30:" 33 81 33 100 rr_1ntt 1
27 "2.971 0.30/0.30:" 34 81 34 100 rr_1ntt 1
28 "3.870 0.30/0.30:" 35 81 35 106 rr_1ntt 1
29 "3.621 0.30/0.30:" 36 81 36 106 rr_1ntt 1
30 "2.922 0.30/0.30:" 37 81 37 100 rr_1ntt 1
31 "3.028 0.30/0.30:" 38 81 38 100 rr_1ntt 1
32 "3.394 0.30/0.30:" 39 81 39 106 rr_1ntt 1
33 "3.452 0.30/0.30:" 40 81 40 106 rr_1ntt 1
34 "3.088 0.30/0.30:" 41 81 41 106 rr_1ntt 1
35 "4.106 0.30/0.30:" 42 81 42 100 rr_1ntt 1
36 "3.658 0.30/0.30:" 43 81 43 100 rr_1ntt 1
37 "3.496 0.30/0.30:" 44 81 44 100 rr_1ntt 1
38 "3.074 0.30/0.30:" 45 81 45 100 rr_1ntt 1
39 "4.101 0.30/0.30:" 46 81 46 106 rr_1ntt 1
40 "4.699 0.30/0.30:" 47 81 47 100 rr_1ntt 1
41 "3.981 0.30/0.30:" 48 81 48 100 rr_1ntt 1
42 "3.697 0.30/0.30:" 49 81 49 100 rr_1ntt 1
43 "3.235 0.30/0.30:" 50 81 50 100 rr_1ntt 1
44 "4.114 0.30/0.30:" 51 81 51 106 rr_1ntt 1
45 "4.069 0.30/0.30:" 52 81 52 106 rr_1ntt 1
46 "3.817 0.30/0.30:" 53 81 53 106 rr_1ntt 1
47 "3.574 0.30/0.30:" 54 81 54 106 rr_1ntt 1
48 "3.210 0.30/0.30:" 55 81 55 106 rr_1ntt 1
49 "2.769 0.30/0.30:" 56 81 56 106 rr_1ntt 1
50 "3.684 0.30/0.30:" 57 81 57 106 rr_1ntt 1
51 "3.539 0.30/0.30:" 58 81 58 106 rr_1ntt 1
52 "4.422 0.30/0.30:" 59 81 59 106 rr_1ntt 1
53 "3.087 0.30/0.30:" 60 81 60 100 rr_1ntt 1
54 "3.025 0.30/0.30:" 61 81 61 100 rr_1ntt 1
55 "2.821 0.30/0.30:" 62 81 62 100 rr_1ntt 1
56 "3.057 0.30/0.30:" 63 81 63 100 rr_1ntt 1
57 "3.165 0.30/0.30:" 64 81 64 100 rr_1ntt 1
58 "3.882 0.30/0.30:" 65 81 65 111 rr_1ntt 1
59 "3.148 0.30/0.30:" 66 81 66 106 rr_1ntt 1
60 "3.592 0.30/0.30:" 67 81 67 108 rr_1ntt 1
61 "3.915 0.30/0.30:" 68 81 68 100 rr_1ntt 1
62 "3.141 0.30/0.30:" 69 81 69 100 rr_1ntt 1
63 "3.636 0.30/0.30:" 70 81 70 106 rr_1ntt 1
64 "4.669 0.30/0.30:" 71 81 71 100 rr_1ntt 1
65 "3.350 0.30/0.30:" 72 81 72 100 rr_1ntt 1
66 "3.518 0.30/0.30:" 73 81 73 100 rr_1ntt 1
67 "3.005 0.30/0.30:" 74 81 74 100 rr_1ntt 1
68 "3.138 0.30/0.30:" 75 81 75 100 rr_1ntt 1
69 "2.908 0.30/0.30:" 76 81 76 106 rr_1ntt 1
70 "3.207 0.30/0.30:" 77 81 77 106 rr_1ntt 1
71 "2.548 0.30/0.30:" 78 81 78 106 rr_1ntt 1
72 "2.940 0.30/0.30:" 79 81 79 100 rr_1ntt 1
73 "2.748 0.30/0.30:" 80 81 80 106 rr_1ntt 1
74 "2.871 0.30/0.30:" 81 81 81 100 rr_1ntt 1
75 "2.682 0.30/0.30:" 82 81 82 100 rr_1ntt 1
76 "4.407 0.30/0.30:" 83 81 83 106 rr_1ntt 1
77 "2.933 0.30/0.30:" 84 81 84 106 rr_1ntt 1
78 "3.514 0.30/0.30:" 85 81 85 106 rr_1ntt 1
79 "3.354 0.30/0.30:" 86 81 86 100 rr_1ntt 1
80 "3.372 0.30/0.30:" 87 81 87 106 rr_1ntt 1
81 "3.833 0.30/0.30:" 88 81 88 106 rr_1ntt 1
82 "2.992 0.30/0.30:" 89 81 89 106 rr_1ntt 1
83 "3.823 0.30/0.30:" 90 81 90 106 rr_1ntt 1
84 "3.352 0.30/0.30:" 93 81 93 100 rr_1ntt 1
85 "3.996 0.30/0.30:" 94 81 94 100 rr_1ntt 1
86 "3.477 0.30/0.30:" 95 81 95 100 rr_1ntt 1
87 "3.154 0.30/0.30:" 96 81 96 100 rr_1ntt 1
88 "3.830 0.30/0.30:" 97 81 97 100 rr_1ntt 1
89 "3.187 0.30/0.30:" 98 81 98 100 rr_1ntt 1
90 "3.970 0.30/0.30:" 99 81 99 106 rr_1ntt 1
91 "2.961 0.30/0.30:" 100 81 100 106 rr_1ntt 1
92 "4.453 0.30/0.30:" 101 81 101 106 rr_1ntt 1
93 "3.527 0.30/0.30:" 102 81 102 106 rr_1ntt 1
94 "3.453 0.30/0.30:" 103 81 103 106 rr_1ntt 1
95 "3.093 0.30/0.30:" 104 81 104 100 rr_1ntt 1
96 "3.520 0.30/0.30:" 105 81 105 100 rr_1ntt 1
97 "3.369 0.30/0.30:" 106 81 106 106 rr_1ntt 1
98 "2.821 0.30/0.30:" 107 81 107 100 rr_1ntt 1
99 "2.876 0.30/0.30:" 108 81 108 100 rr_1ntt 1
100 "2.694 0.30/0.30:" 109 81 109 106 rr_1ntt 1
101 "3.410 0.30/0.30:" 110 81 110 106 rr_1ntt 1
102 "3.520 0.30/0.30:" 111 81 111 100 rr_1ntt 1
103 "4.440 0.30/0.30:" 112 81 112 100 rr_1ntt 1
104 "3.697 0.30/0.30:" 113 81 113 100 rr_1ntt 1
105 "3.937 0.30/0.30:" 114 81 114 106 rr_1ntt 1
106 "3.467 0.30/0.30:" 115 81 115 106 rr_1ntt 1
107 "4.121 0.30/0.30:" 116 81 116 100 rr_1ntt 1
108 "3.217 0.30/0.30:" 117 81 117 100 rr_1ntt 1
109 "3.987 0.30/0.30:" 118 81 118 102 rr_1ntt 1
110 "3.543 0.30/0.30:" 121 81 121 106 rr_1ntt 1
111 "3.939 0.30/0.30:" 122 81 122 106 rr_1ntt 1
112 "3.134 0.30/0.30:" 123 81 123 106 rr_1ntt 1
113 "3.393 0.30/0.30:" 124 81 124 106 rr_1ntt 1
114 "3.629 0.30/0.30:" 125 81 125 106 rr_1ntt 1
115 "2.915 0.30/0.30:" 126 81 126 100 rr_1ntt 1
116 "2.676 0.30/0.30:" 127 81 127 100 rr_1ntt 1
117 "2.784 0.30/0.30:" 128 81 128 100 rr_1ntt 1
118 "3.141 0.30/0.30:" 129 81 129 100 rr_1ntt 1
119 "3.689 0.30/0.30:" 130 81 130 106 rr_1ntt 1
120 "2.985 0.30/0.30:" 131 81 131 106 rr_1ntt 1
121 "3.598 0.30/0.30:" 132 81 132 100 rr_1ntt 1
122 "3.234 0.30/0.30:" 133 81 133 100 rr_1ntt 1
123 "3.253 0.30/0.30:" 134 81 134 100 rr_1ntt 1
124 "4.049 0.30/0.30:" 135 81 135 100 rr_1ntt 1
125 "3.216 0.30/0.30:" 136 81 136 100 rr_1ntt 1
126 "2.973 0.30/0.30:" 137 81 137 100 rr_1ntt 1
127 "3.394 0.30/0.30:" 138 81 138 100 rr_1ntt 1
128 "2.751 0.30/0.30:" 139 81 139 100 rr_1ntt 1
129 "3.650 0.30/0.30:" 140 81 140 100 rr_1ntt 1
130 "3.703 0.30/0.30:" 141 81 141 100 rr_1ntt 1
131 "2.845 0.30/0.30:" 142 81 142 100 rr_1ntt 1
132 "3.095 0.30/0.30:" 143 81 143 100 rr_1ntt 1
133 "4.009 0.30/0.30:" 144 81 144 100 rr_1ntt 1
134 "3.261 0.30/0.30:" 145 81 145 100 rr_1ntt 1
135 "3.454 0.30/0.30:" 146 81 146 100 rr_1ntt 1
136 "3.122 0.30/0.30:" 147 81 147 100 rr_1ntt 1
137 "2.689 0.30/0.30:" 148 81 148 100 rr_1ntt 1
138 "3.297 0.30/0.30:" 149 81 149 100 rr_1ntt 1
139 "3.982 0.30/0.30:" 150 81 150 100 rr_1ntt 1
140 "2.794 0.30/0.30:" 151 81 151 100 rr_1ntt 1
141 "3.571 0.30/0.30:" 152 81 152 100 rr_1ntt 1
142 "2.736 0.30/0.30:" 153 81 153 100 rr_1ntt 1
143 "3.182 0.30/0.30:" 154 81 154 100 rr_1ntt 1
144 "3.648 0.30/0.30:" 155 81 155 100 rr_1ntt 1
145 "4.625 0.30/0.30" 157 81 157 99 rr_1ntt 1
146 "3.623 0.30/0.30" 158 81 158 99 rr_1ntt 1
147 "4.753 0.30/0.30" 159 81 159 99 rr_1ntt 1
148 "4.296 0.30/0.30" 160 81 160 99 rr_1ntt 1
149 "3.354 0.30/0.30" 161 81 161 99 rr_1ntt 1
150 "4.779 0.30/0.30" 163 81 163 99 rr_1ntt 1
151 "3.511 0.30/0.30" 165 81 165 99 rr_1ntt 1
stop_
loop_
_Gen_dist_constraint_conv_err.ID
_Gen_dist_constraint_conv_err.Gen_dist_constraint_parse_file_ID
_Gen_dist_constraint_conv_err.Parse_file_constraint_ID
_Gen_dist_constraint_conv_err.Conv_error_type
_Gen_dist_constraint_conv_err.Conv_error_note
_Gen_dist_constraint_conv_err.Entry_ID
_Gen_dist_constraint_conv_err.Gen_dist_constraint_list_ID
1 3 2 1 "Not handling restraint 2, item 1, resonance(s) 'B.2.H5M2' (nmrStar names) not linked" rr_1ntt 1
2 3 12 1 "Not handling restraint 12, item 1, resonance(s) 'B.2.H2'2' (nmrStar names) not linked" rr_1ntt 1
3 3 17 1 "Not handling restraint 17, item 1, resonance(s) 'B.2.H2'1' (nmrStar names) not linked" rr_1ntt 1
4 3 22 1 "Not handling restraint 22, item 1, resonance(s) 'B.3.H5M2' (nmrStar names) not linked" rr_1ntt 1
5 3 23 1 "Not handling restraint 23, item 1, resonance(s) 'B.2.H2'2' (nmrStar names) not linked" rr_1ntt 1
6 3 25 1 "Not handling restraint 25, item 1, resonance(s) 'B.3.H2'1' (nmrStar names) not linked" rr_1ntt 1
7 3 27 1 "Not handling restraint 27, item 1, resonance(s) 'B.4.H5M2' (nmrStar names) not linked" rr_1ntt 1
8 3 31 1 "Not handling restraint 31, item 1, resonance(s) 'B.3.H2'2' (nmrStar names) not linked" rr_1ntt 1
9 3 32 1 "Not handling restraint 32, item 1, resonance(s) 'B.3.H2'1' (nmrStar names) not linked" rr_1ntt 1
10 3 37 1 "Not handling restraint 37, item 1, resonance(s) 'B.4.H5M2' (nmrStar names) not linked" rr_1ntt 1
11 3 41 1 "Not handling restraint 41, item 1, resonance(s) 'B.4.H5M2' (nmrStar names) not linked" rr_1ntt 1
12 3 42 1 "Not handling restraint 42, item 1, resonance(s) 'B.4.H5M2' (nmrStar names) not linked" rr_1ntt 1
13 3 44 1 "Not handling restraint 44, item 1, resonance(s) 'B.5.H5M2' (nmrStar names) not linked" rr_1ntt 1
14 3 54 1 "Not handling restraint 54, item 1, resonance(s) 'B.4.H2'2' (nmrStar names) not linked" rr_1ntt 1
15 3 55 1 "Not handling restraint 55, item 1, resonance(s) 'B.4.H2'1' (nmrStar names) not linked" rr_1ntt 1
16 3 56 1 "Not handling restraint 56, item 1, resonance(s) 'B.4.H2'2' (nmrStar names) not linked" rr_1ntt 1
17 3 57 1 "Not handling restraint 57, item 1, resonance(s) 'B.4.H2'2' (nmrStar names) not linked" rr_1ntt 1
18 3 58 1 "Not handling restraint 58, item 1, resonance(s) 'B.4.H2'1' (nmrStar names) not linked" rr_1ntt 1
19 3 65 1 "Not handling restraint 65, item 1, resonance(s) 'B.5.H5M2' (nmrStar names) not linked" rr_1ntt 1
20 3 72 1 "Not handling restraint 72, item 1, resonance(s) 'B.5.H2'2' (nmrStar names) not linked" rr_1ntt 1
21 3 73 1 "Not handling restraint 73, item 1, resonance(s) 'B.5.H2'1' (nmrStar names) not linked" rr_1ntt 1
22 3 75 1 "Not handling restraint 75, item 1, resonance(s) 'B.5.H2'1' (nmrStar names) not linked" rr_1ntt 1
23 3 76 1 "Not handling restraint 76, item 1, resonance(s) 'B.5.H2'2' (nmrStar names) not linked" rr_1ntt 1
24 3 85 1 "Not handling restraint 85, item 1, resonance(s) 'B.6.H5M2' (nmrStar names) not linked" rr_1ntt 1
25 3 86 1 "Not handling restraint 86, item 1, resonance(s) 'B.6.H5M2' (nmrStar names) not linked" rr_1ntt 1
26 3 89 1 "Not handling restraint 89, item 1, resonance(s) 'B.6.H2'1' (nmrStar names) not linked" rr_1ntt 1
27 3 92 1 "Not handling restraint 92, item 1, resonance(s) 'B.7.H5M2' (nmrStar names) not linked" rr_1ntt 1
28 3 101 1 "Not handling restraint 101, item 1, resonance(s) 'B.6.H2'2' (nmrStar names) not linked" rr_1ntt 1
29 3 102 1 "Not handling restraint 102, item 1, resonance(s) 'B.6.H2'1' (nmrStar names) not linked" rr_1ntt 1
30 3 106 1 "Not handling restraint 106, item 1, resonance(s) 'B.7.H5M2' (nmrStar names) not linked" rr_1ntt 1
31 3 110 1 "Not handling restraint 110, item 1, resonance(s) 'B.7.H5M2' (nmrStar names) not linked" rr_1ntt 1
32 3 120 1 "Not handling restraint 120, item 1, resonance(s) 'B.7.H2'2' (nmrStar names) not linked" rr_1ntt 1
33 3 121 1 "Not handling restraint 121, item 1, resonance(s) 'B.7.H2'1' (nmrStar names) not linked" rr_1ntt 1
34 3 122 1 "Not handling restraint 122, item 1, resonance(s) 'B.7.H2'2' (nmrStar names) not linked" rr_1ntt 1
35 3 160 1 "Not handling restraint 160, item 1, resonance(s) 'B.6.H2'1' (nmrStar names) not linked" rr_1ntt 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_1ntt
_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_1ntt 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 2 2 A N1 N . . . 2 2 7 7 PDU H3 H . . . . . . 1.8 2.5 . . . . . A . 3 A N1 . . B . 7 PDU H3 . 1 . 3 A N1 . . . B . 7 PU3' H3 . . rr_1ntt 2
2 1 . . 1 1 2 2 A H61 H . . . 2 2 7 7 PDU O4 O . . . . . . 1.8 2.5 . . . . . A . 3 A H61 . . B . 7 PDU O4 . 1 . 3 A H61 . . . B . 7 PU3' O4 . . rr_1ntt 2
3 1 . . 1 1 3 3 A N1 N . . . 2 2 6 6 PDU H3 H . . . . . . 1.8 2.5 . . . . . A . 4 A N1 . . B . 6 PDU H3 . 1 . 4 A N1 . . . B . 6 PU H3 . . rr_1ntt 2
4 1 . . 1 1 3 3 A H61 H . . . 2 2 6 6 PDU O4 O . . . . . . 1.8 2.5 . . . . . A . 4 A H61 . . B . 6 PDU O4 . 1 . 4 A H61 . . . B . 6 PU O4 . . rr_1ntt 2
5 1 . . 1 1 4 4 G H1 H . . . 2 2 5 5 5PC N3 N . . . . . . 1.8 2.5 . . . . . A . 5 G H1 . . B . 5 5PC N3 . 1 . 5 G H1 . . . B . 5 PC N3 . . rr_1ntt 2
6 1 . . 1 1 4 4 G O6 O . . . 2 2 5 5 5PC H42 H . . . . . . 1.8 2.5 . . . . . A . 5 G O6 . . B . 5 5PC H42 . 1 . 5 G O6 . . . B . 5 PC H42 . . rr_1ntt 2
7 1 . . 1 1 4 4 G H22 H . . . 2 2 5 5 5PC O2 O . . . . . . 1.8 2.5 . . . . . A . 5 G H22 . . B . 5 5PC O2 . 1 . 5 G H22 . . . B . 5 PC O2 . . rr_1ntt 2
8 1 . . 1 1 5 5 G H1 H . . . 2 2 4 4 5PC N3 N . . . . . . 1.8 2.5 . . . . . A . 6 G H1 . . B . 4 5PC N3 . 1 . 6 G H1 . . . B . 4 PC N3 . . rr_1ntt 2
9 1 . . 1 1 5 5 G O6 O . . . 2 2 4 4 5PC H42 H . . . . . . 1.8 2.5 . . . . . A . 6 G O6 . . B . 4 5PC H42 . 1 . 6 G O6 . . . B . 4 PC H42 . . rr_1ntt 2
10 1 . . 1 1 5 5 G H22 H . . . 2 2 4 4 5PC O2 O . . . . . . 1.8 2.5 . . . . . A . 6 G H22 . . B . 4 5PC O2 . 1 . 6 G H22 . . . B . 4 PC O2 . . rr_1ntt 2
11 1 . . 1 1 6 6 A N1 N . . . 2 2 3 3 PDU H3 H . . . . . . 1.8 2.5 . . . . . A . 7 A N1 . . B . 3 PDU H3 . 1 . 7 A N1 . . . B . 3 PU H3 . . rr_1ntt 2
12 1 . . 1 1 6 6 A H61 H . . . 2 2 3 3 PDU O4 O . . . . . . 1.8 2.5 . . . . . A . 7 A H61 . . B . 3 PDU O4 . 1 . 7 A H61 . . . B . 3 PU O4 . . rr_1ntt 2
13 1 . . 1 1 7 7 G H1 H . . . 2 2 2 2 5PC N3 N . . . . . . 1.8 2.5 . . . . . A . 8 G H1 . . B . 2 5PC N3 . 1 . 8 G H1 . . . B . 2 PC N3 . . rr_1ntt 2
14 1 . . 1 1 7 7 G O6 O . . . 2 2 2 2 5PC H42 H . . . . . . 1.8 2.5 . . . . . A . 8 G O6 . . B . 2 5PC H42 . 1 . 8 G O6 . . . B . 2 PC H42 . . rr_1ntt 2
15 1 . . 1 1 7 7 G H22 H . . . 2 2 2 2 5PC O2 O . . . . . . 1.8 2.5 . . . . . A . 8 G H22 . . B . 2 5PC O2 . 1 . 8 G H22 . . . B . 2 PC O2 . . rr_1ntt 2
16 1 . . 1 1 8 8 G H1 H . . . 2 2 1 1 DC N3 N . . . . . . 1.8 2.5 . . . . . A . 9 G H1 . . B . 1 DC N3 . 1 . 9 G H1 . . . B . 1 PC5' N3 . . rr_1ntt 2
17 1 . . 1 1 8 8 G O6 O . . . 2 2 1 1 DC H42 H . . . . . . 1.8 2.5 . . . . . A . 9 G O6 . . B . 1 DC H42 . 1 . 9 G O6 . . . B . 1 PC5' H42 . . rr_1ntt 2
18 1 . . 1 1 8 8 G H22 H . . . 2 2 1 1 DC O2 O . . . . . . 1.8 2.5 . . . . . A . 9 G H22 . . B . 1 DC O2 . 1 . 9 G H22 . . . B . 1 PC5' O2 . . rr_1ntt 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 distance Hydrogen bonding distances (based on Theoretical numbers and observed NOEs between
exchangeable protons on 1D and 2D NOESY spectra
;
1 1 8 1 rr_1ntt 2
2 Hbond 9 90 9 95 rr_1ntt 2
3 Hbond 10 90 10 95 rr_1ntt 2
4 Hbond 11 90 11 95 rr_1ntt 2
5 Hbond 12 90 12 95 rr_1ntt 2
6 Hbond 13 90 13 95 rr_1ntt 2
7 Hbond 14 90 14 95 rr_1ntt 2
8 Hbond 15 90 15 95 rr_1ntt 2
9 Hbond 16 90 16 95 rr_1ntt 2
10 Hbond 17 90 17 95 rr_1ntt 2
11 Hbond 18 90 18 95 rr_1ntt 2
12 Hbond 19 90 19 95 rr_1ntt 2
13 Hbond 20 90 20 95 rr_1ntt 2
14 Hbond 21 90 21 95 rr_1ntt 2
15 Hbond 22 90 22 95 rr_1ntt 2
16 Hbond 23 90 23 95 rr_1ntt 2
17 Hbond 24 90 24 95 rr_1ntt 2
18 Hbond 25 90 25 95 rr_1ntt 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_1ntt
_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_1ntt 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_1ntt 1
2 1 . . . rr_1ntt 1
3 1 . . . rr_1ntt 1
4 1 . . . rr_1ntt 1
5 1 . . . rr_1ntt 1
6 1 . . . rr_1ntt 1
7 1 . . . rr_1ntt 1
8 1 . . . rr_1ntt 1
9 1 . . . rr_1ntt 1
10 1 . . . rr_1ntt 1
11 1 . . . rr_1ntt 1
12 1 . . . rr_1ntt 1
13 1 . . . rr_1ntt 1
14 1 . . . rr_1ntt 1
15 1 . . . rr_1ntt 1
16 1 . . . rr_1ntt 1
17 1 . . . rr_1ntt 1
18 1 . . . rr_1ntt 1
19 1 . . . rr_1ntt 1
20 1 . . . rr_1ntt 1
21 1 . . . rr_1ntt 1
22 1 . . . rr_1ntt 1
23 1 . . . rr_1ntt 1
24 1 . . . rr_1ntt 1
25 1 . . . rr_1ntt 1
26 1 . . . rr_1ntt 1
27 1 . . . rr_1ntt 1
28 1 . . . rr_1ntt 1
29 1 . . . rr_1ntt 1
30 1 . . . rr_1ntt 1
31 1 . . . rr_1ntt 1
32 1 . . . rr_1ntt 1
33 1 . . . rr_1ntt 1
34 1 . . . rr_1ntt 1
35 1 . . . rr_1ntt 1
36 1 . . . rr_1ntt 1
37 1 . . . rr_1ntt 1
38 1 . . . rr_1ntt 1
39 1 . . . rr_1ntt 1
40 1 . . . rr_1ntt 1
41 1 . . . rr_1ntt 1
42 1 . . . rr_1ntt 1
43 1 . . . rr_1ntt 1
44 1 . . . rr_1ntt 1
45 1 . . . rr_1ntt 1
46 1 . . . rr_1ntt 1
47 1 . . . rr_1ntt 1
48 1 . . . rr_1ntt 1
49 1 . . . rr_1ntt 1
50 1 . . . rr_1ntt 1
51 1 . . . rr_1ntt 1
52 1 . . . rr_1ntt 1
53 1 . . . rr_1ntt 1
54 1 . . . rr_1ntt 1
55 1 . . . rr_1ntt 1
56 1 . . . rr_1ntt 1
57 1 . . . rr_1ntt 1
58 1 . . . rr_1ntt 1
59 1 . . . rr_1ntt 1
60 1 . . . rr_1ntt 1
61 1 . . . rr_1ntt 1
62 1 . . . rr_1ntt 1
63 1 . . . rr_1ntt 1
64 1 . . . rr_1ntt 1
65 1 . . . rr_1ntt 1
66 1 . . . rr_1ntt 1
67 1 . . . rr_1ntt 1
68 1 . . . rr_1ntt 1
69 1 . . . rr_1ntt 1
70 1 . . . rr_1ntt 1
71 1 . . . rr_1ntt 1
72 1 . . . rr_1ntt 1
73 1 . . . rr_1ntt 1
74 1 . . . rr_1ntt 1
75 1 . . . rr_1ntt 1
76 1 . . . rr_1ntt 1
77 1 . . . rr_1ntt 1
78 1 . . . rr_1ntt 1
79 1 . . . rr_1ntt 1
80 1 . . . rr_1ntt 1
81 1 . . . rr_1ntt 1
82 1 . . . rr_1ntt 1
83 1 . . . rr_1ntt 1
84 1 . . . rr_1ntt 1
85 1 . . . rr_1ntt 1
86 1 . . . rr_1ntt 1
87 1 . . . rr_1ntt 1
88 1 . . . rr_1ntt 1
89 1 . . . rr_1ntt 1
90 1 . . . rr_1ntt 1
91 1 . . . rr_1ntt 1
92 1 . . . rr_1ntt 1
93 1 . . . rr_1ntt 1
94 1 . . . rr_1ntt 1
95 1 . . . rr_1ntt 1
96 1 . . . rr_1ntt 1
97 1 . . . rr_1ntt 1
98 1 . . . rr_1ntt 1
99 1 . . . rr_1ntt 1
100 1 . . . rr_1ntt 1
101 1 . . . rr_1ntt 1
102 1 . . . rr_1ntt 1
103 1 . . . rr_1ntt 1
104 1 . . . rr_1ntt 1
105 1 . . . rr_1ntt 1
106 1 . . . rr_1ntt 1
107 1 . . . rr_1ntt 1
108 1 . . . rr_1ntt 1
109 1 . . . rr_1ntt 1
110 1 . . . rr_1ntt 1
111 1 . . . rr_1ntt 1
112 1 . . . rr_1ntt 1
113 1 . . . rr_1ntt 1
114 1 . . . rr_1ntt 1
115 1 . . . rr_1ntt 1
116 1 . . . rr_1ntt 1
117 1 . . . rr_1ntt 1
118 1 . . . rr_1ntt 1
119 1 . . . rr_1ntt 1
120 1 . . . rr_1ntt 1
121 1 . . . rr_1ntt 1
122 1 . . . rr_1ntt 1
123 1 . . . rr_1ntt 1
124 1 . . . rr_1ntt 1
125 1 . . . rr_1ntt 1
stop_
loop_
_Dist_constraint.Tree_node_member_constraint_ID
_Dist_constraint.Tree_node_member_node_ID
_Dist_constraint.Contribution_fractional_val
_Dist_constraint.Constraint_tree_node_member_ID
_Dist_constraint.Assembly_atom_ID
_Dist_constraint.Entity_assembly_ID
_Dist_constraint.Entity_ID
_Dist_constraint.Comp_index_ID
_Dist_constraint.Seq_ID
_Dist_constraint.Comp_ID
_Dist_constraint.Atom_ID
_Dist_constraint.Atom_type
_Dist_constraint.Atom_isotope_number
_Dist_constraint.Resonance_ID
_Dist_constraint.Auth_asym_ID
_Dist_constraint.Auth_entity_assembly_ID
_Dist_constraint.Auth_seq_ID
_Dist_constraint.Auth_comp_ID
_Dist_constraint.Auth_atom_ID
_Dist_constraint.Entry_ID
_Dist_constraint.Distance_constraint_list_ID
1 1 . 1 . 2 2 1 1 DC H6 H . . B . 1 PC5' H6 rr_1ntt 1
1 1 . 2 . 2 2 1 1 DC H1' H . . B . 1 PC5' H1' rr_1ntt 1
2 1 . 1 . 2 2 1 1 DC H3' H . . B . 1 PC5' H3' rr_1ntt 1
2 1 . 2 . 2 2 1 1 DC H6 H . . B . 1 PC5' H6 rr_1ntt 1
3 1 . 1 . 2 2 1 1 DC H3' H . . B . 1 PC5' H3' rr_1ntt 1
3 1 . 2 . 2 2 2 2 5PC H6 H . . B . 2 PC H6 rr_1ntt 1
4 1 . 1 . 2 2 1 1 DC H4' H . . B . 1 PC5' H4' rr_1ntt 1
4 1 . 2 . 2 2 1 1 DC H1' H . . B . 1 PC5' H1' rr_1ntt 1
5 1 . 1 . 1 1 1 1 A H2 H . . 1 . 2 A H2 rr_1ntt 1
5 1 . 2 . 1 1 2 2 A H1' H . . 1 . 3 A H1' rr_1ntt 1
6 1 . 1 . 2 2 2 2 5PC H6 H . . B . 2 PC H6 rr_1ntt 1
6 1 . 2 . 2 2 1 1 DC H1' H . . B . 1 PC5' H1' rr_1ntt 1
7 1 . 1 . 1 1 1 1 A H8 H . . 1 . 2 A H8 rr_1ntt 1
7 1 . 2 . 1 1 1 1 A H1' H . . 1 . 2 A H1' rr_1ntt 1
8 1 . 1 . 1 1 1 1 A H8 H . . 1 . 2 A H8 rr_1ntt 1
8 1 . 2 . 1 1 1 1 A H2' H . . 1 . 2 A H2' rr_1ntt 1
9 1 . 1 . 1 1 1 1 A H8 H . . 1 . 2 A H8 rr_1ntt 1
9 1 . 2 . 1 1 1 1 A H3' H . . 1 . 2 A H3' rr_1ntt 1
10 1 . 1 . 2 2 2 2 5PC H1' H . . B . 2 PC H1' rr_1ntt 1
10 1 . 2 . 2 2 2 2 5PC H6 H . . B . 2 PC H6 rr_1ntt 1
11 1 . 1 . 1 1 1 1 A H1' H . . 1 . 2 A H1' rr_1ntt 1
11 1 . 2 . 1 1 1 1 A H2' H . . 1 . 2 A H2' rr_1ntt 1
12 1 . 1 . 1 1 1 1 A H1' H . . 1 . 2 A H1' rr_1ntt 1
12 1 . 2 . 1 1 1 1 A H3' H . . 1 . 2 A H3' rr_1ntt 1
13 1 . 1 . 2 2 2 2 5PC H1' H . . B . 2 PC H1' rr_1ntt 1
13 1 . 2 . 2 2 2 2 5PC H4' H . . B . 2 PC H4' rr_1ntt 1
14 1 . 1 . 1 1 1 1 A H1' H . . 1 . 2 A H1' rr_1ntt 1
14 1 . 2 . 1 1 2 2 A H8 H . . 1 . 3 A H8 rr_1ntt 1
15 1 . 1 . 2 2 2 2 5PC H3' H . . B . 2 PC H3' rr_1ntt 1
15 1 . 2 . 2 2 2 2 5PC H6 H . . B . 2 PC H6 rr_1ntt 1
16 1 . 1 . 1 1 1 1 A H3' H . . 1 . 2 A H3' rr_1ntt 1
16 1 . 2 . 1 1 2 2 A H8 H . . 1 . 3 A H8 rr_1ntt 1
17 1 . 1 . 2 2 2 2 5PC H4' H . . B . 2 PC H4' rr_1ntt 1
17 1 . 2 . 2 2 2 2 5PC H6 H . . B . 2 PC H6 rr_1ntt 1
18 1 . 1 . 1 1 1 1 A H4' H . . 1 . 2 A H4' rr_1ntt 1
18 1 . 2 . 1 1 1 1 A H1' H . . 1 . 2 A H1' rr_1ntt 1
19 1 . 1 . 2 2 3 3 PDU H6 H . . B . 3 PU H6 rr_1ntt 1
19 1 . 2 . 2 2 3 3 PDU H1' H . . B . 3 PU H1' rr_1ntt 1
20 1 . 1 . 2 2 3 3 PDU H6 H . . B . 3 PU H6 rr_1ntt 1
20 1 . 2 . 2 2 3 3 PDU H4' H . . B . 3 PU H4' rr_1ntt 1
21 1 . 1 . 1 1 2 2 A H8 H . . 1 . 3 A H8 rr_1ntt 1
21 1 . 2 . 1 1 1 1 A H2' H . . 1 . 2 A H2' rr_1ntt 1
22 1 . 1 . 1 1 2 2 A H8 H . . 1 . 3 A H8 rr_1ntt 1
22 1 . 2 . 1 1 2 2 A H1' H . . 1 . 3 A H1' rr_1ntt 1
23 1 . 1 . 1 1 2 2 A H2' H . . 1 . 3 A H2' rr_1ntt 1
23 1 . 2 . 1 1 2 2 A H1' H . . 1 . 3 A H1' rr_1ntt 1
24 1 . 1 . 1 1 2 2 A H2' H . . 1 . 3 A H2' rr_1ntt 1
24 1 . 2 . 1 1 3 3 A H8 H . . 1 . 4 A H8 rr_1ntt 1
25 1 . 1 . 2 2 3 3 PDU H3' H . . B . 3 PU H3' rr_1ntt 1
25 1 . 2 . 2 2 3 3 PDU H6 H . . B . 3 PU H6 rr_1ntt 1
26 1 . 1 . 1 1 2 2 A H3' H . . 1 . 3 A H3' rr_1ntt 1
26 1 . 2 . 1 1 2 2 A H8 H . . 1 . 3 A H8 rr_1ntt 1
27 1 . 1 . 2 2 3 3 PDU H3' H . . B . 3 PU H3' rr_1ntt 1
27 1 . 2 . 2 2 3 3 PDU H1' H . . B . 3 PU H1' rr_1ntt 1
28 1 . 1 . 2 2 3 3 PDU H3' H . . B . 3 PU H3' rr_1ntt 1
28 1 . 2 . 2 2 4 4 5PC H6 H . . B . 4 PC H6 rr_1ntt 1
29 1 . 1 . 2 2 3 3 PDU H4' H . . B . 3 PU H4' rr_1ntt 1
29 1 . 2 . 2 2 3 3 PDU H1' H . . B . 3 PU H1' rr_1ntt 1
30 1 . 1 . 1 1 3 3 A H2 H . . 1 . 4 A H2 rr_1ntt 1
30 1 . 2 . 2 2 7 7 PDU H1' H . . B . 7 PU3' H1' rr_1ntt 1
31 1 . 1 . 2 2 4 4 5PC H6 H . . B . 4 PC H6 rr_1ntt 1
31 1 . 2 . 2 2 4 4 5PC H1' H . . B . 4 PC H1' rr_1ntt 1
32 1 . 1 . 1 1 3 3 A H8 H . . 1 . 4 A H8 rr_1ntt 1
32 1 . 2 . 1 1 2 2 A H1' H . . 1 . 3 A H1' rr_1ntt 1
33 1 . 1 . 1 1 3 3 A H8 H . . 1 . 4 A H8 rr_1ntt 1
33 1 . 2 . 1 1 3 3 A H1' H . . 1 . 4 A H1' rr_1ntt 1
34 1 . 1 . 1 1 3 3 A H8 H . . 1 . 4 A H8 rr_1ntt 1
34 1 . 2 . 1 1 3 3 A H2' H . . 1 . 4 A H2' rr_1ntt 1
35 1 . 1 . 1 1 3 3 A H8 H . . 1 . 4 A H8 rr_1ntt 1
35 1 . 2 . 1 1 3 3 A H3' H . . 1 . 4 A H3' rr_1ntt 1
36 1 . 1 . 1 1 3 3 A H1' H . . 1 . 4 A H1' rr_1ntt 1
36 1 . 2 . 1 1 2 2 A H2 H . . 1 . 3 A H2 rr_1ntt 1
37 1 . 1 . 1 1 3 3 A H1' H . . 1 . 4 A H1' rr_1ntt 1
37 1 . 2 . 1 1 3 3 A H2' H . . 1 . 4 A H2' rr_1ntt 1
38 1 . 1 . 2 2 4 4 5PC H1' H . . B . 4 PC H1' rr_1ntt 1
38 1 . 2 . 2 2 4 4 5PC H3' H . . B . 4 PC H3' rr_1ntt 1
39 1 . 1 . 1 1 3 3 A H1' H . . 1 . 4 A H1' rr_1ntt 1
39 1 . 2 . 1 1 4 4 G H8 H . . 1 . 5 G H8 rr_1ntt 1
40 1 . 1 . 2 2 4 4 5PC H1' H . . B . 4 PC H1' rr_1ntt 1
40 1 . 2 . 1 1 6 6 A H2 H . . 1 . 7 A H2 rr_1ntt 1
41 1 . 1 . 1 1 3 3 A H2' H . . 1 . 4 A H2' rr_1ntt 1
41 1 . 2 . 1 1 4 4 G H1' H . . 1 . 5 G H1' rr_1ntt 1
42 1 . 1 . 2 2 4 4 5PC H3' H . . B . 4 PC H3' rr_1ntt 1
42 1 . 2 . 2 2 4 4 5PC H6 H . . B . 4 PC H6 rr_1ntt 1
43 1 . 1 . 1 1 3 3 A H3' H . . 1 . 4 A H3' rr_1ntt 1
43 1 . 2 . 1 1 3 3 A H1' H . . 1 . 4 A H1' rr_1ntt 1
44 1 . 1 . 2 2 4 4 5PC H4' H . . B . 4 PC H4' rr_1ntt 1
44 1 . 2 . 2 2 4 4 5PC H6 H . . B . 4 PC H6 rr_1ntt 1
45 1 . 1 . 2 2 4 4 5PC H4' H . . B . 4 PC H4' rr_1ntt 1
45 1 . 2 . 2 2 4 4 5PC H1' H . . B . 4 PC H1' rr_1ntt 1
46 1 . 1 . 1 1 3 3 A H4' H . . 1 . 4 A H4' rr_1ntt 1
46 1 . 2 . 1 1 3 3 A H1' H . . 1 . 4 A H1' rr_1ntt 1
47 1 . 1 . 2 2 5 5 5PC H6 H . . B . 5 PC H6 rr_1ntt 1
47 1 . 2 . 2 2 4 4 5PC H1' H . . B . 4 PC H1' rr_1ntt 1
48 1 . 1 . 2 2 5 5 5PC H6 H . . B . 5 PC H6 rr_1ntt 1
48 1 . 2 . 2 2 5 5 5PC H1' H . . B . 5 PC H1' rr_1ntt 1
49 1 . 1 . 2 2 5 5 5PC H6 H . . B . 5 PC H6 rr_1ntt 1
49 1 . 2 . 2 2 5 5 5PC H3' H . . B . 5 PC H3' rr_1ntt 1
50 1 . 1 . 2 2 5 5 5PC H6 H . . B . 5 PC H6 rr_1ntt 1
50 1 . 2 . 2 2 5 5 5PC H4' H . . B . 5 PC H4' rr_1ntt 1
51 1 . 1 . 1 1 4 4 G H8 H . . 1 . 5 G H8 rr_1ntt 1
51 1 . 2 . 1 1 3 3 A H2' H . . 1 . 4 A H2' rr_1ntt 1
52 1 . 1 . 1 1 4 4 G H8 H . . 1 . 5 G H8 rr_1ntt 1
52 1 . 2 . 1 1 3 3 A H3' H . . 1 . 4 A H3' rr_1ntt 1
53 1 . 1 . 1 1 4 4 G H2' H . . 1 . 5 G H2' rr_1ntt 1
53 1 . 2 . 1 1 4 4 G H1' H . . 1 . 5 G H1' rr_1ntt 1
54 1 . 1 . 1 1 4 4 G H2' H . . 1 . 5 G H2' rr_1ntt 1
54 1 . 2 . 1 1 5 5 G H1' H . . 1 . 6 G H1' rr_1ntt 1
55 1 . 1 . 1 1 4 4 G H3' H . . 1 . 5 G H3' rr_1ntt 1
55 1 . 2 . 1 1 4 4 G H8 H . . 1 . 5 G H8 rr_1ntt 1
56 1 . 1 . 1 1 4 4 G H3' H . . 1 . 5 G H3' rr_1ntt 1
56 1 . 2 . 1 1 4 4 G H1' H . . 1 . 5 G H1' rr_1ntt 1
57 1 . 1 . 2 2 5 5 5PC H3' H . . B . 5 PC H3' rr_1ntt 1
57 1 . 2 . 2 2 5 5 5PC H1' H . . B . 5 PC H1' rr_1ntt 1
58 1 . 1 . 1 1 4 4 G H3' H . . 1 . 5 G H3' rr_1ntt 1
58 1 . 2 . 1 1 5 5 G H8 H . . 1 . 6 G H8 rr_1ntt 1
59 1 . 1 . 1 1 4 4 G H4' H . . 1 . 5 G H4' rr_1ntt 1
59 1 . 2 . 1 1 4 4 G H8 H . . 1 . 5 G H8 rr_1ntt 1
60 1 . 1 . 2 2 5 5 5PC H4' H . . B . 5 PC H4' rr_1ntt 1
60 1 . 2 . 2 2 5 5 5PC H1' H . . B . 5 PC H1' rr_1ntt 1
61 1 . 1 . 1 1 4 4 G H4' H . . 1 . 5 G H4' rr_1ntt 1
61 1 . 2 . 1 1 4 4 G H1' H . . 1 . 5 G H1' rr_1ntt 1
62 1 . 1 . 2 2 6 6 PDU H6 H . . B . 6 PU H6 rr_1ntt 1
62 1 . 2 . 2 2 5 5 5PC H1' H . . B . 5 PC H1' rr_1ntt 1
63 1 . 1 . 2 2 6 6 PDU H6 H . . B . 6 PU H6 rr_1ntt 1
63 1 . 2 . 2 2 6 6 PDU H1' H . . B . 6 PU H1' rr_1ntt 1
64 1 . 1 . 2 2 6 6 PDU H6 H . . B . 6 PU H6 rr_1ntt 1
64 1 . 2 . 2 2 6 6 PDU H3' H . . B . 6 PU H3' rr_1ntt 1
65 1 . 1 . 2 2 6 6 PDU H6 H . . B . 6 PU H6 rr_1ntt 1
65 1 . 2 . 2 2 6 6 PDU H4' H . . B . 6 PU H4' rr_1ntt 1
66 1 . 1 . 1 1 5 5 G H8 H . . 1 . 6 G H8 rr_1ntt 1
66 1 . 2 . 1 1 4 4 G H1' H . . 1 . 5 G H1' rr_1ntt 1
67 1 . 1 . 1 1 5 5 G H8 H . . 1 . 6 G H8 rr_1ntt 1
67 1 . 2 . 1 1 4 4 G H2' H . . 1 . 5 G H2' rr_1ntt 1
68 1 . 1 . 1 1 5 5 G H8 H . . 1 . 6 G H8 rr_1ntt 1
68 1 . 2 . 1 1 5 5 G H1' H . . 1 . 6 G H1' rr_1ntt 1
69 1 . 1 . 1 1 5 5 G H8 H . . 1 . 6 G H8 rr_1ntt 1
69 1 . 2 . 1 1 5 5 G H3' H . . 1 . 6 G H3' rr_1ntt 1
70 1 . 1 . 1 1 5 5 G H1' H . . 1 . 6 G H1' rr_1ntt 1
70 1 . 2 . 1 1 5 5 G H3' H . . 1 . 6 G H3' rr_1ntt 1
71 1 . 1 . 2 2 6 6 PDU H1' H . . B . 6 PU H1' rr_1ntt 1
71 1 . 2 . 2 2 6 6 PDU H4' H . . B . 6 PU H4' rr_1ntt 1
72 1 . 1 . 2 2 6 6 PDU H1' H . . B . 6 PU H1' rr_1ntt 1
72 1 . 2 . 2 2 7 7 PDU H6 H . . B . 7 PU3' H6 rr_1ntt 1
73 1 . 1 . 1 1 5 5 G H1' H . . 1 . 6 G H1' rr_1ntt 1
73 1 . 2 . 1 1 6 6 A H8 H . . 1 . 7 A H8 rr_1ntt 1
74 1 . 1 . 1 1 5 5 G H2' H . . 1 . 6 G H2' rr_1ntt 1
74 1 . 2 . 1 1 5 5 G H1' H . . 1 . 6 G H1' rr_1ntt 1
75 1 . 1 . 1 1 5 5 G H2' H . . 1 . 6 G H2' rr_1ntt 1
75 1 . 2 . 1 1 6 6 A H1' H . . 1 . 7 A H1' rr_1ntt 1
76 1 . 1 . 2 2 6 6 PDU H3' H . . B . 6 PU H3' rr_1ntt 1
76 1 . 2 . 2 2 6 6 PDU H1' H . . B . 6 PU H1' rr_1ntt 1
77 1 . 1 . 2 2 6 6 PDU H3' H . . B . 6 PU H3' rr_1ntt 1
77 1 . 2 . 2 2 7 7 PDU H6 H . . B . 7 PU3' H6 rr_1ntt 1
78 1 . 1 . 1 1 5 5 G H3' H . . 1 . 6 G H3' rr_1ntt 1
78 1 . 2 . 1 1 6 6 A H8 H . . 1 . 7 A H8 rr_1ntt 1
79 1 . 1 . 1 1 5 5 G H4' H . . 1 . 6 G H4' rr_1ntt 1
79 1 . 2 . 1 1 5 5 G H1' H . . 1 . 6 G H1' rr_1ntt 1
80 1 . 1 . 2 2 7 7 PDU H6 H . . B . 7 PU3' H6 rr_1ntt 1
80 1 . 2 . 2 2 7 7 PDU H1' H . . B . 7 PU3' H1' rr_1ntt 1
81 1 . 1 . 1 1 6 6 A H8 H . . 1 . 7 A H8 rr_1ntt 1
81 1 . 2 . 1 1 6 6 A H1' H . . 1 . 7 A H1' rr_1ntt 1
82 1 . 1 . 1 1 6 6 A H8 H . . 1 . 7 A H8 rr_1ntt 1
82 1 . 2 . 1 1 6 6 A H2' H . . 1 . 7 A H2' rr_1ntt 1
83 1 . 1 . 1 1 6 6 A H8 H . . 1 . 7 A H8 rr_1ntt 1
83 1 . 2 . 1 1 6 6 A H4' H . . 1 . 7 A H4' rr_1ntt 1
84 1 . 1 . 1 1 6 6 A H1' H . . 1 . 7 A H1' rr_1ntt 1
84 1 . 2 . 1 1 6 6 A H2' H . . 1 . 7 A H2' rr_1ntt 1
85 1 . 1 . 2 2 7 7 PDU H1' H . . B . 7 PU3' H1' rr_1ntt 1
85 1 . 2 . 2 2 7 7 PDU H3' H . . B . 7 PU3' H3' rr_1ntt 1
86 1 . 1 . 1 1 6 6 A H1' H . . 1 . 7 A H1' rr_1ntt 1
86 1 . 2 . 1 1 6 6 A H3' H . . 1 . 7 A H3' rr_1ntt 1
87 1 . 1 . 1 1 6 6 A H1' H . . 1 . 7 A H1' rr_1ntt 1
87 1 . 2 . 1 1 6 6 A H4' H . . 1 . 7 A H4' rr_1ntt 1
88 1 . 1 . 1 1 6 6 A H1' H . . 1 . 7 A H1' rr_1ntt 1
88 1 . 2 . 1 1 7 7 G H8 H . . 1 . 8 G H8 rr_1ntt 1
89 1 . 1 . 2 2 7 7 PDU H3' H . . B . 7 PU3' H3' rr_1ntt 1
89 1 . 2 . 2 2 7 7 PDU H6 H . . B . 7 PU3' H6 rr_1ntt 1
90 1 . 1 . 1 1 6 6 A H3' H . . 1 . 7 A H3' rr_1ntt 1
90 1 . 2 . 1 1 6 6 A H8 H . . 1 . 7 A H8 rr_1ntt 1
91 1 . 1 . 1 1 6 6 A H3' H . . 1 . 7 A H3' rr_1ntt 1
91 1 . 2 . 1 1 7 7 G H8 H . . 1 . 8 G H8 rr_1ntt 1
92 1 . 1 . 2 2 7 7 PDU H4' H . . B . 7 PU3' H4' rr_1ntt 1
92 1 . 2 . 2 2 7 7 PDU H6 H . . B . 7 PU3' H6 rr_1ntt 1
93 1 . 1 . 2 2 7 7 PDU H4' H . . B . 7 PU3' H4' rr_1ntt 1
93 1 . 2 . 2 2 7 7 PDU H1' H . . B . 7 PU3' H1' rr_1ntt 1
94 1 . 1 . 1 1 7 7 G H8 H . . 1 . 8 G H8 rr_1ntt 1
94 1 . 2 . 1 1 6 6 A H2' H . . 1 . 7 A H2' rr_1ntt 1
95 1 . 1 . 1 1 7 7 G H8 H . . 1 . 8 G H8 rr_1ntt 1
95 1 . 2 . 1 1 7 7 G H1' H . . 1 . 8 G H1' rr_1ntt 1
96 1 . 1 . 1 1 7 7 G H8 H . . 1 . 8 G H8 rr_1ntt 1
96 1 . 2 . 1 1 7 7 G H4' H . . 1 . 8 G H4' rr_1ntt 1
97 1 . 1 . 1 1 7 7 G H1' H . . 1 . 8 G H1' rr_1ntt 1
97 1 . 2 . 1 1 6 6 A H2 H . . 1 . 7 A H2 rr_1ntt 1
98 1 . 1 . 1 1 7 7 G H1' H . . 1 . 8 G H1' rr_1ntt 1
98 1 . 2 . 1 1 7 7 G H3' H . . 1 . 8 G H3' rr_1ntt 1
99 1 . 1 . 1 1 7 7 G H2' H . . 1 . 8 G H2' rr_1ntt 1
99 1 . 2 . 1 1 7 7 G H1' H . . 1 . 8 G H1' rr_1ntt 1
100 1 . 1 . 1 1 7 7 G H4' H . . 1 . 8 G H4' rr_1ntt 1
100 1 . 2 . 1 1 7 7 G H1' H . . 1 . 8 G H1' rr_1ntt 1
101 1 . 1 . 1 1 8 8 G H8 H . . 1 . 9 G H8 rr_1ntt 1
101 1 . 2 . 1 1 7 7 G H1' H . . 1 . 8 G H1' rr_1ntt 1
102 1 . 1 . 1 1 8 8 G H8 H . . 1 . 9 G H8 rr_1ntt 1
102 1 . 2 . 1 1 7 7 G H2' H . . 1 . 8 G H2' rr_1ntt 1
103 1 . 1 . 1 1 8 8 G H8 H . . 1 . 9 G H8 rr_1ntt 1
103 1 . 2 . 1 1 7 7 G H3' H . . 1 . 8 G H3' rr_1ntt 1
104 1 . 1 . 1 1 8 8 G H8 H . . 1 . 9 G H8 rr_1ntt 1
104 1 . 2 . 1 1 8 8 G H1' H . . 1 . 9 G H1' rr_1ntt 1
105 1 . 1 . 1 1 8 8 G H8 H . . 1 . 9 G H8 rr_1ntt 1
105 1 . 2 . 1 1 8 8 G H3' H . . 1 . 9 G H3' rr_1ntt 1
106 1 . 1 . 1 1 8 8 G H1' H . . 1 . 9 G H1' rr_1ntt 1
106 1 . 2 . 1 1 8 8 G H3' H . . 1 . 9 G H3' rr_1ntt 1
107 1 . 1 . 1 1 8 8 G H1' H . . 1 . 9 G H1' rr_1ntt 1
107 1 . 2 . 1 1 8 8 G H4' H . . 1 . 9 G H4' rr_1ntt 1
108 1 . 1 . 1 1 8 8 G H2' H . . 1 . 9 G H2' rr_1ntt 1
108 1 . 2 . 1 1 8 8 G H1' H . . 1 . 9 G H1' rr_1ntt 1
109 1 . 1 . 1 1 8 8 G H3' H . . 1 . 9 G H3' rr_1ntt 1
109 1 . 2 . 1 1 9 9 A H8 H . . 1 . 10 A H8 rr_1ntt 1
110 1 . 1 . 1 1 9 9 A H2 H . . 1 . 10 A H2 rr_1ntt 1
110 1 . 2 . 2 2 1 1 DC H1' H . . B . 1 PC5' H1' rr_1ntt 1
111 1 . 1 . 1 1 9 9 A H8 H . . 1 . 10 A H8 rr_1ntt 1
111 1 . 2 . 1 1 8 8 G H2' H . . 1 . 9 G H2' rr_1ntt 1
112 1 . 1 . 1 1 9 9 A H8 H . . 1 . 10 A H8 rr_1ntt 1
112 1 . 2 . 1 1 9 9 A H1' H . . 1 . 10 A H1' rr_1ntt 1
113 1 . 1 . 1 1 9 9 A H2' H . . 1 . 10 A H2' rr_1ntt 1
113 1 . 2 . 1 1 9 9 A H1' H . . 1 . 10 A H1' rr_1ntt 1
114 1 . 1 . 1 1 9 9 A H3' H . . 1 . 10 A H3' rr_1ntt 1
114 1 . 2 . 1 1 9 9 A H8 H . . 1 . 10 A H8 rr_1ntt 1
115 1 . 1 . 1 1 9 9 A H3' H . . 1 . 10 A H3' rr_1ntt 1
115 1 . 2 . 1 1 9 9 A H1' H . . 1 . 10 A H1' rr_1ntt 1
116 1 . 1 . 1 1 9 9 A H1' H . . 1 . 10 A H1' rr_1ntt 1
116 1 . 2 . 1 1 9 9 A H4' H . . 1 . 10 A H4' rr_1ntt 1
117 1 . 1 . 1 1 9 9 A H1' H . . 1 . 10 A H1' rr_1ntt 1
117 1 . 2 . 1 1 8 8 G H2' H . . 1 . 9 G H2' rr_1ntt 1
118 1 . 1 . 1 1 9 9 A H8 H . . 1 . 10 A H8 rr_1ntt 1
118 1 . 2 . 1 1 8 8 G H1' H . . 1 . 9 G H1' rr_1ntt 1
119 1 . 1 . 1 1 2 2 A H1' H . . 1 . 3 A H1' rr_1ntt 1
119 1 . 2 . 1 1 1 1 A H2' H . . 1 . 2 A H2' rr_1ntt 1
120 1 . 1 . 1 1 2 2 A H8 H . . 1 . 3 A H8 rr_1ntt 1
120 1 . 2 . 1 1 2 2 A H2' H . . 1 . 3 A H2' rr_1ntt 1
121 1 . 1 . 1 1 3 3 A H2 H . . 1 . 4 A H2 rr_1ntt 1
121 1 . 2 . 1 1 4 4 G H1' H . . 1 . 5 G H1' rr_1ntt 1
122 1 . 1 . 1 1 6 6 A H8 H . . 1 . 7 A H8 rr_1ntt 1
122 1 . 2 . 1 1 5 5 G H2' H . . 1 . 6 G H2' rr_1ntt 1
123 1 . 1 . 1 1 4 4 G H8 H . . 1 . 5 G H8 rr_1ntt 1
123 1 . 2 . 1 1 4 4 G H1' H . . 1 . 5 G H1' rr_1ntt 1
124 1 . 1 . 1 1 7 7 G H8 H . . 1 . 8 G H8 rr_1ntt 1
124 1 . 2 . 1 1 7 7 G H3' H . . 1 . 8 G H3' rr_1ntt 1
125 1 . 1 . 2 2 4 4 5PC H6 H . . B . 4 PC H6 rr_1ntt 1
125 1 . 2 . 2 2 3 3 PDU H1' H . . B . 3 PU H1' rr_1ntt 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 . . . . . . . 2.826 5.248 rr_1ntt 1
2 1 . . . . . . . 2.688 4.993 rr_1ntt 1
3 1 . . . . . . . 2.338 4.343 rr_1ntt 1
4 1 . . . . . . . 2.419 4.493 rr_1ntt 1
5 1 . . . . . . . 2.379 4.418 rr_1ntt 1
6 1 . . . . . . . 2.424 4.501 rr_1ntt 1
7 1 . . . . . . . 2.261 4.198 rr_1ntt 1
8 1 . . . . . . . 2.492 4.628 rr_1ntt 1
9 1 . . . . . . . 2.478 4.602 rr_1ntt 1
10 1 . . . . . . . 2.171 4.031 rr_1ntt 1
11 1 . . . . . . . 1.981 3.679 rr_1ntt 1
12 1 . . . . . . . 2.461 4.571 rr_1ntt 1
13 1 . . . . . . . 2.694 5.002 rr_1ntt 1
14 1 . . . . . . . 2.831 5.258 rr_1ntt 1
15 1 . . . . . . . 2.200 4.085 rr_1ntt 1
16 1 . . . . . . . 2.218 4.120 rr_1ntt 1
17 1 . . . . . . . 2.623 4.871 rr_1ntt 1
18 1 . . . . . . . 2.415 4.484 rr_1ntt 1
19 1 . . . . . . . 2.582 4.794 rr_1ntt 1
20 1 . . . . . . . 2.812 5.223 rr_1ntt 1
21 1 . . . . . . . 2.080 3.862 rr_1ntt 1
22 1 . . . . . . . 2.792 5.186 rr_1ntt 1
23 1 . . . . . . . 2.613 4.852 rr_1ntt 1
24 1 . . . . . . . 2.449 4.548 rr_1ntt 1
25 1 . . . . . . . 2.490 4.625 rr_1ntt 1
26 1 . . . . . . . 2.174 4.037 rr_1ntt 1
27 1 . . . . . . . 2.963 5.502 rr_1ntt 1
28 1 . . . . . . . 2.523 4.685 rr_1ntt 1
29 1 . . . . . . . 2.196 4.077 rr_1ntt 1
30 1 . . . . . . . 2.959 5.495 rr_1ntt 1
31 1 . . . . . . . 2.668 4.954 rr_1ntt 1
32 1 . . . . . . . 2.969 5.513 rr_1ntt 1
33 1 . . . . . . . 3.048 5.661 rr_1ntt 1
34 1 . . . . . . . 2.754 5.114 rr_1ntt 1
35 1 . . . . . . . 2.585 4.802 rr_1ntt 1
36 1 . . . . . . . 2.335 4.336 rr_1ntt 1
37 1 . . . . . . . 1.998 3.710 rr_1ntt 1
38 1 . . . . . . . 2.636 4.895 rr_1ntt 1
39 1 . . . . . . . 2.528 4.694 rr_1ntt 1
40 1 . . . . . . . 3.191 5.926 rr_1ntt 1
41 1 . . . . . . . 2.801 5.202 rr_1ntt 1
42 1 . . . . . . . 2.314 4.297 rr_1ntt 1
43 1 . . . . . . . 2.592 4.813 rr_1ntt 1
44 1 . . . . . . . 2.759 5.124 rr_1ntt 1
45 1 . . . . . . . 2.288 4.250 rr_1ntt 1
46 1 . . . . . . . 2.702 5.018 rr_1ntt 1
47 1 . . . . . . . 2.417 4.489 rr_1ntt 1
48 1 . . . . . . . 2.599 4.827 rr_1ntt 1
49 1 . . . . . . . 2.168 4.027 rr_1ntt 1
50 1 . . . . . . . 2.264 4.205 rr_1ntt 1
51 1 . . . . . . . 2.035 3.780 rr_1ntt 1
52 1 . . . . . . . 2.346 4.346 rr_1ntt 1
53 1 . . . . . . . 1.983 3.682 rr_1ntt 1
54 1 . . . . . . . 3.180 5.906 rr_1ntt 1
55 1 . . . . . . . 2.116 3.930 rr_1ntt 1
56 1 . . . . . . . 2.535 4.708 rr_1ntt 1
57 1 . . . . . . . 2.389 4.437 rr_1ntt 1
58 1 . . . . . . . 2.433 4.518 rr_1ntt 1
59 1 . . . . . . . 2.766 5.194 rr_1ntt 1
60 1 . . . . . . . 2.159 4.009 rr_1ntt 1
61 1 . . . . . . . 2.689 4.994 rr_1ntt 1
62 1 . . . . . . . 2.418 4.491 rr_1ntt 1
63 1 . . . . . . . 2.736 5.080 rr_1ntt 1
64 1 . . . . . . . 2.276 4.271 rr_1ntt 1
65 1 . . . . . . . 2.762 5.129 rr_1ntt 1
66 1 . . . . . . . 2.865 5.320 rr_1ntt 1
67 1 . . . . . . . 2.137 3.968 rr_1ntt 1
68 1 . . . . . . . 3.213 5.968 rr_1ntt 1
69 1 . . . . . . . 2.710 5.032 rr_1ntt 1
70 1 . . . . . . . 2.624 4.981 rr_1ntt 1
71 1 . . . . . . . 2.232 4.145 rr_1ntt 1
72 1 . . . . . . . 2.464 4.576 rr_1ntt 1
73 1 . . . . . . . 2.431 4.515 rr_1ntt 1
74 1 . . . . . . . 1.944 3.610 rr_1ntt 1
75 1 . . . . . . . 2.446 4.542 rr_1ntt 1
76 1 . . . . . . . 2.540 4.717 rr_1ntt 1
77 1 . . . . . . . 2.588 4.807 rr_1ntt 1
78 1 . . . . . . . 2.841 5.276 rr_1ntt 1
79 1 . . . . . . . 2.501 4.645 rr_1ntt 1
80 1 . . . . . . . 2.321 4.311 rr_1ntt 1
81 1 . . . . . . . 3.084 5.727 rr_1ntt 1
82 1 . . . . . . . 0.000 5.000 rr_1ntt 1
83 1 . . . . . . . 0.000 5.000 rr_1ntt 1
84 1 . . . . . . . 2.556 4.747 rr_1ntt 1
85 1 . . . . . . . 2.913 5.410 rr_1ntt 1
86 1 . . . . . . . 2.261 4.200 rr_1ntt 1
87 1 . . . . . . . 2.448 4.547 rr_1ntt 1
88 1 . . . . . . . 2.619 4.863 rr_1ntt 1
89 1 . . . . . . . 2.211 4.107 rr_1ntt 1
90 1 . . . . . . . 2.662 4.943 rr_1ntt 1
91 1 . . . . . . . 2.126 3.947 rr_1ntt 1
92 1 . . . . . . . 2.552 4.740 rr_1ntt 1
93 1 . . . . . . . 2.306 4.282 rr_1ntt 1
94 1 . . . . . . . 2.199 4.084 rr_1ntt 1
95 1 . . . . . . . 2.921 5.425 rr_1ntt 1
96 1 . . . . . . . 2.581 4.794 rr_1ntt 1
97 1 . . . . . . . 2.145 3.983 rr_1ntt 1
98 1 . . . . . . . 2.449 4.548 rr_1ntt 1
99 1 . . . . . . . 1.985 3.687 rr_1ntt 1
100 1 . . . . . . . 2.634 4.891 rr_1ntt 1
101 1 . . . . . . . 2.629 4.882 rr_1ntt 1
102 1 . . . . . . . 2.053 3.812 rr_1ntt 1
103 1 . . . . . . . 2.234 4.148 rr_1ntt 1
104 1 . . . . . . . 2.893 5.372 rr_1ntt 1
105 1 . . . . . . . 2.353 4.369 rr_1ntt 1
106 1 . . . . . . . 2.492 4.639 rr_1ntt 1
107 1 . . . . . . . 2.253 4.183 rr_1ntt 1
108 1 . . . . . . . 1.921 3.567 rr_1ntt 1
109 1 . . . . . . . 2.379 4.417 rr_1ntt 1
110 1 . . . . . . . 2.874 5.337 rr_1ntt 1
111 1 . . . . . . . 1.956 3.633 rr_1ntt 1
112 1 . . . . . . . 2.529 4.697 rr_1ntt 1
113 1 . . . . . . . 1.974 3.667 rr_1ntt 1
114 1 . . . . . . . 2.296 4.263 rr_1ntt 1
115 1 . . . . . . . 2.632 4.889 rr_1ntt 1
116 1 . . . . . . . 0.000 5.000 rr_1ntt 1
117 1 . . . . . . . 3.238 6.000 rr_1ntt 1
118 1 . . . . . . . 2.536 4.710 rr_1ntt 1
119 1 . . . . . . . 3.327 6.000 rr_1ntt 1
120 1 . . . . . . . 3.007 5.585 rr_1ntt 1
121 1 . . . . . . . 2.348 4.360 rr_1ntt 1
122 1 . . . . . . . 0.000 5.000 rr_1ntt 1
123 1 . . . . . . . 3.345 6.000 rr_1ntt 1
124 1 . . . . . . . 0.000 5.000 rr_1ntt 1
125 1 . . . . . . . 2.458 4.564 rr_1ntt 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 "************ STRANDS 1 & 2 TOGETHER" 1 1 6 1 rr_1ntt 1
2 "4.032 0.30/0.30:" 7 81 7 100 rr_1ntt 1
3 "3.058 0.30/0.30:" 8 81 8 100 rr_1ntt 1
4 "3.241 0.30/0.30:" 10 81 10 100 rr_1ntt 1
5 "3.297 0.30/0.30:" 12 81 12 106 rr_1ntt 1
6 "3.359 0.30/0.30:" 13 81 13 100 rr_1ntt 1
7 "3.141 0.30/0.30:" 14 81 14 106 rr_1ntt 1
8 "3.515 0.30/0.30:" 15 81 15 106 rr_1ntt 1
9 "3.434 0.30/0.30:" 16 81 16 106 rr_1ntt 1
10 "3.008 0.30/0.30:" 17 81 17 100 rr_1ntt 1
11 "2.652 0.30/0.30:" 18 81 18 100 rr_1ntt 1
12 "2.762 0.30/0.30:" 19 81 19 112 rr_1ntt 1
13 "3.411 0.30/0.30:" 20 81 20 106 rr_1ntt 1
14 "3.733 0.30/0.30:" 21 81 21 106 rr_1ntt 1
15 "3.850 0.30/0.30:" 22 81 22 106 rr_1ntt 1
16 "2.975 0.30/0.30:" 23 81 23 100 rr_1ntt 1
17 "3.006 0.30/0.30:" 24 81 24 100 rr_1ntt 1
18 "3.075 0.30/0.30:" 25 81 25 106 rr_1ntt 1
19 "3.635 0.30/0.30:" 26 81 26 106 rr_1ntt 1
20 "3.311 0.30/0.30:" 27 81 27 106 rr_1ntt 1
21 "3.096 0.30/0.30:" 28 81 28 100 rr_1ntt 1
22 "2.808 0.30/0.30:" 29 81 29 100 rr_1ntt 1
23 "3.578 0.30/0.30:" 30 81 30 100 rr_1ntt 1
24 "3.423 0.30/0.30:" 31 81 31 100 rr_1ntt 1
25 "3.897 0.30/0.30:" 32 81 32 100 rr_1ntt 1
26 "2.967 0.30/0.30:" 33 81 33 100 rr_1ntt 1
27 "2.971 0.30/0.30:" 34 81 34 100 rr_1ntt 1
28 "3.870 0.30/0.30:" 35 81 35 106 rr_1ntt 1
29 "3.621 0.30/0.30:" 36 81 36 106 rr_1ntt 1
30 "2.922 0.30/0.30:" 37 81 37 100 rr_1ntt 1
31 "3.028 0.30/0.30:" 38 81 38 100 rr_1ntt 1
32 "3.394 0.30/0.30:" 39 81 39 106 rr_1ntt 1
33 "3.452 0.30/0.30:" 40 81 40 106 rr_1ntt 1
34 "3.088 0.30/0.30:" 41 81 41 106 rr_1ntt 1
35 "4.106 0.30/0.30:" 42 81 42 100 rr_1ntt 1
36 "3.658 0.30/0.30:" 43 81 43 100 rr_1ntt 1
37 "3.496 0.30/0.30:" 44 81 44 100 rr_1ntt 1
38 "3.074 0.30/0.30:" 45 81 45 100 rr_1ntt 1
39 "4.101 0.30/0.30:" 46 81 46 106 rr_1ntt 1
40 "4.699 0.30/0.30:" 47 81 47 100 rr_1ntt 1
41 "3.981 0.30/0.30:" 48 81 48 100 rr_1ntt 1
42 "3.697 0.30/0.30:" 49 81 49 100 rr_1ntt 1
43 "3.235 0.30/0.30:" 50 81 50 100 rr_1ntt 1
44 "4.114 0.30/0.30:" 51 81 51 106 rr_1ntt 1
45 "4.069 0.30/0.30:" 52 81 52 106 rr_1ntt 1
46 "3.817 0.30/0.30:" 53 81 53 106 rr_1ntt 1
47 "3.574 0.30/0.30:" 54 81 54 106 rr_1ntt 1
48 "3.210 0.30/0.30:" 55 81 55 106 rr_1ntt 1
49 "2.769 0.30/0.30:" 56 81 56 106 rr_1ntt 1
50 "3.684 0.30/0.30:" 57 81 57 106 rr_1ntt 1
51 "3.539 0.30/0.30:" 58 81 58 106 rr_1ntt 1
52 "4.422 0.30/0.30:" 59 81 59 106 rr_1ntt 1
53 "3.087 0.30/0.30:" 60 81 60 100 rr_1ntt 1
54 "3.025 0.30/0.30:" 61 81 61 100 rr_1ntt 1
55 "2.821 0.30/0.30:" 62 81 62 100 rr_1ntt 1
56 "3.057 0.30/0.30:" 63 81 63 100 rr_1ntt 1
57 "3.165 0.30/0.30:" 64 81 64 100 rr_1ntt 1
58 "3.882 0.30/0.30:" 65 81 65 111 rr_1ntt 1
59 "3.148 0.30/0.30:" 66 81 66 106 rr_1ntt 1
60 "3.592 0.30/0.30:" 67 81 67 108 rr_1ntt 1
61 "3.915 0.30/0.30:" 68 81 68 100 rr_1ntt 1
62 "3.141 0.30/0.30:" 69 81 69 100 rr_1ntt 1
63 "3.636 0.30/0.30:" 70 81 70 106 rr_1ntt 1
64 "4.669 0.30/0.30:" 71 81 71 100 rr_1ntt 1
65 "3.350 0.30/0.30:" 72 81 72 100 rr_1ntt 1
66 "3.518 0.30/0.30:" 73 81 73 100 rr_1ntt 1
67 "3.005 0.30/0.30:" 74 81 74 100 rr_1ntt 1
68 "3.138 0.30/0.30:" 75 81 75 100 rr_1ntt 1
69 "2.908 0.30/0.30:" 76 81 76 106 rr_1ntt 1
70 "3.207 0.30/0.30:" 77 81 77 106 rr_1ntt 1
71 "2.548 0.30/0.30:" 78 81 78 106 rr_1ntt 1
72 "2.940 0.30/0.30:" 79 81 79 100 rr_1ntt 1
73 "2.748 0.30/0.30:" 80 81 80 106 rr_1ntt 1
74 "2.871 0.30/0.30:" 81 81 81 100 rr_1ntt 1
75 "2.682 0.30/0.30:" 82 81 82 100 rr_1ntt 1
76 "4.407 0.30/0.30:" 83 81 83 106 rr_1ntt 1
77 "2.933 0.30/0.30:" 84 81 84 106 rr_1ntt 1
78 "3.514 0.30/0.30:" 85 81 85 106 rr_1ntt 1
79 "3.354 0.30/0.30:" 86 81 86 100 rr_1ntt 1
80 "3.372 0.30/0.30:" 87 81 87 106 rr_1ntt 1
81 "3.833 0.30/0.30:" 88 81 88 106 rr_1ntt 1
82 "2.992 0.30/0.30:" 89 81 89 106 rr_1ntt 1
83 "3.823 0.30/0.30:" 90 81 90 106 rr_1ntt 1
84 "3.352 0.30/0.30:" 93 81 93 100 rr_1ntt 1
85 "3.996 0.30/0.30:" 94 81 94 100 rr_1ntt 1
86 "3.477 0.30/0.30:" 95 81 95 100 rr_1ntt 1
87 "3.154 0.30/0.30:" 96 81 96 100 rr_1ntt 1
88 "3.830 0.30/0.30:" 97 81 97 100 rr_1ntt 1
89 "3.187 0.30/0.30:" 98 81 98 100 rr_1ntt 1
90 "3.970 0.30/0.30:" 99 81 99 106 rr_1ntt 1
91 "2.961 0.30/0.30:" 100 81 100 106 rr_1ntt 1
92 "4.453 0.30/0.30:" 101 81 101 106 rr_1ntt 1
93 "3.527 0.30/0.30:" 102 81 102 106 rr_1ntt 1
94 "3.453 0.30/0.30:" 103 81 103 106 rr_1ntt 1
95 "3.093 0.30/0.30:" 104 81 104 100 rr_1ntt 1
96 "3.520 0.30/0.30:" 105 81 105 100 rr_1ntt 1
97 "3.369 0.30/0.30:" 106 81 106 106 rr_1ntt 1
98 "2.821 0.30/0.30:" 107 81 107 100 rr_1ntt 1
99 "2.876 0.30/0.30:" 108 81 108 100 rr_1ntt 1
100 "2.694 0.30/0.30:" 109 81 109 106 rr_1ntt 1
101 "3.410 0.30/0.30:" 110 81 110 106 rr_1ntt 1
102 "3.520 0.30/0.30:" 111 81 111 100 rr_1ntt 1
103 "4.440 0.30/0.30:" 112 81 112 100 rr_1ntt 1
104 "3.697 0.30/0.30:" 113 81 113 100 rr_1ntt 1
105 "3.937 0.30/0.30:" 114 81 114 106 rr_1ntt 1
106 "3.467 0.30/0.30:" 115 81 115 106 rr_1ntt 1
107 "4.121 0.30/0.30:" 116 81 116 100 rr_1ntt 1
108 "3.217 0.30/0.30:" 117 81 117 100 rr_1ntt 1
109 "3.987 0.30/0.30:" 118 81 118 102 rr_1ntt 1
110 "3.543 0.30/0.30:" 121 81 121 106 rr_1ntt 1
111 "3.939 0.30/0.30:" 122 81 122 106 rr_1ntt 1
112 "3.134 0.30/0.30:" 123 81 123 106 rr_1ntt 1
113 "3.393 0.30/0.30:" 124 81 124 106 rr_1ntt 1
114 "3.629 0.30/0.30:" 125 81 125 106 rr_1ntt 1
115 "2.915 0.30/0.30:" 126 81 126 100 rr_1ntt 1
116 "2.676 0.30/0.30:" 127 81 127 100 rr_1ntt 1
117 "2.784 0.30/0.30:" 128 81 128 100 rr_1ntt 1
118 "3.141 0.30/0.30:" 129 81 129 100 rr_1ntt 1
119 "3.689 0.30/0.30:" 130 81 130 106 rr_1ntt 1
120 "2.985 0.30/0.30:" 131 81 131 106 rr_1ntt 1
121 "3.598 0.30/0.30:" 132 81 132 100 rr_1ntt 1
122 "3.234 0.30/0.30:" 133 81 133 100 rr_1ntt 1
123 "3.253 0.30/0.30:" 134 81 134 100 rr_1ntt 1
124 "4.049 0.30/0.30:" 135 81 135 100 rr_1ntt 1
125 "3.216 0.30/0.30:" 136 81 136 100 rr_1ntt 1
126 "2.973 0.30/0.30:" 137 81 137 100 rr_1ntt 1
127 "3.394 0.30/0.30:" 138 81 138 100 rr_1ntt 1
128 "2.751 0.30/0.30:" 139 81 139 100 rr_1ntt 1
129 "3.650 0.30/0.30:" 140 81 140 100 rr_1ntt 1
130 "3.703 0.30/0.30:" 141 81 141 100 rr_1ntt 1
131 "2.845 0.30/0.30:" 142 81 142 100 rr_1ntt 1
132 "3.095 0.30/0.30:" 143 81 143 100 rr_1ntt 1
133 "4.009 0.30/0.30:" 144 81 144 100 rr_1ntt 1
134 "3.261 0.30/0.30:" 145 81 145 100 rr_1ntt 1
135 "3.454 0.30/0.30:" 146 81 146 100 rr_1ntt 1
136 "3.122 0.30/0.30:" 147 81 147 100 rr_1ntt 1
137 "2.689 0.30/0.30:" 148 81 148 100 rr_1ntt 1
138 "3.297 0.30/0.30:" 149 81 149 100 rr_1ntt 1
139 "3.982 0.30/0.30:" 150 81 150 100 rr_1ntt 1
140 "2.794 0.30/0.30:" 151 81 151 100 rr_1ntt 1
141 "3.571 0.30/0.30:" 152 81 152 100 rr_1ntt 1
142 "2.736 0.30/0.30:" 153 81 153 100 rr_1ntt 1
143 "3.182 0.30/0.30:" 154 81 154 100 rr_1ntt 1
144 "3.648 0.30/0.30:" 155 81 155 100 rr_1ntt 1
145 "4.625 0.30/0.30" 157 81 157 99 rr_1ntt 1
146 "3.623 0.30/0.30" 158 81 158 99 rr_1ntt 1
147 "4.753 0.30/0.30" 159 81 159 99 rr_1ntt 1
148 "4.296 0.30/0.30" 160 81 160 99 rr_1ntt 1
149 "3.354 0.30/0.30" 161 81 161 99 rr_1ntt 1
150 "4.779 0.30/0.30" 163 81 163 99 rr_1ntt 1
151 "3.511 0.30/0.30" 165 81 165 99 rr_1ntt 1
stop_
loop_
_Dist_constraint_conv_err.ID
_Dist_constraint_conv_err.Dist_constraint_parse_file_ID
_Dist_constraint_conv_err.Parse_file_constraint_ID
_Dist_constraint_conv_err.Conv_error_type
_Dist_constraint_conv_err.Conv_error_note
_Dist_constraint_conv_err.Entry_ID
_Dist_constraint_conv_err.Distance_constraint_list_ID
1 3 2 1 "Not handling restraint 2, item 1, resonance(s) 'B.2.H5M2' (nmrStar names) not linked" rr_1ntt 1
2 3 12 1 "Not handling restraint 12, item 1, resonance(s) 'B.2.H2'2' (nmrStar names) not linked" rr_1ntt 1
3 3 17 1 "Not handling restraint 17, item 1, resonance(s) 'B.2.H2'1' (nmrStar names) not linked" rr_1ntt 1
4 3 22 1 "Not handling restraint 22, item 1, resonance(s) 'B.3.H5M2' (nmrStar names) not linked" rr_1ntt 1
5 3 23 1 "Not handling restraint 23, item 1, resonance(s) 'B.2.H2'2' (nmrStar names) not linked" rr_1ntt 1
6 3 25 1 "Not handling restraint 25, item 1, resonance(s) 'B.3.H2'1' (nmrStar names) not linked" rr_1ntt 1
7 3 27 1 "Not handling restraint 27, item 1, resonance(s) 'B.4.H5M2' (nmrStar names) not linked" rr_1ntt 1
8 3 31 1 "Not handling restraint 31, item 1, resonance(s) 'B.3.H2'2' (nmrStar names) not linked" rr_1ntt 1
9 3 32 1 "Not handling restraint 32, item 1, resonance(s) 'B.3.H2'1' (nmrStar names) not linked" rr_1ntt 1
10 3 37 1 "Not handling restraint 37, item 1, resonance(s) 'B.4.H5M2' (nmrStar names) not linked" rr_1ntt 1
11 3 41 1 "Not handling restraint 41, item 1, resonance(s) 'B.4.H5M2' (nmrStar names) not linked" rr_1ntt 1
12 3 42 1 "Not handling restraint 42, item 1, resonance(s) 'B.4.H5M2' (nmrStar names) not linked" rr_1ntt 1
13 3 44 1 "Not handling restraint 44, item 1, resonance(s) 'B.5.H5M2' (nmrStar names) not linked" rr_1ntt 1
14 3 54 1 "Not handling restraint 54, item 1, resonance(s) 'B.4.H2'2' (nmrStar names) not linked" rr_1ntt 1
15 3 55 1 "Not handling restraint 55, item 1, resonance(s) 'B.4.H2'1' (nmrStar names) not linked" rr_1ntt 1
16 3 56 1 "Not handling restraint 56, item 1, resonance(s) 'B.4.H2'2' (nmrStar names) not linked" rr_1ntt 1
17 3 57 1 "Not handling restraint 57, item 1, resonance(s) 'B.4.H2'2' (nmrStar names) not linked" rr_1ntt 1
18 3 58 1 "Not handling restraint 58, item 1, resonance(s) 'B.4.H2'1' (nmrStar names) not linked" rr_1ntt 1
19 3 65 1 "Not handling restraint 65, item 1, resonance(s) 'B.5.H5M2' (nmrStar names) not linked" rr_1ntt 1
20 3 72 1 "Not handling restraint 72, item 1, resonance(s) 'B.5.H2'2' (nmrStar names) not linked" rr_1ntt 1
21 3 73 1 "Not handling restraint 73, item 1, resonance(s) 'B.5.H2'1' (nmrStar names) not linked" rr_1ntt 1
22 3 75 1 "Not handling restraint 75, item 1, resonance(s) 'B.5.H2'1' (nmrStar names) not linked" rr_1ntt 1
23 3 76 1 "Not handling restraint 76, item 1, resonance(s) 'B.5.H2'2' (nmrStar names) not linked" rr_1ntt 1
24 3 85 1 "Not handling restraint 85, item 1, resonance(s) 'B.6.H5M2' (nmrStar names) not linked" rr_1ntt 1
25 3 86 1 "Not handling restraint 86, item 1, resonance(s) 'B.6.H5M2' (nmrStar names) not linked" rr_1ntt 1
26 3 89 1 "Not handling restraint 89, item 1, resonance(s) 'B.6.H2'1' (nmrStar names) not linked" rr_1ntt 1
27 3 92 1 "Not handling restraint 92, item 1, resonance(s) 'B.7.H5M2' (nmrStar names) not linked" rr_1ntt 1
28 3 101 1 "Not handling restraint 101, item 1, resonance(s) 'B.6.H2'2' (nmrStar names) not linked" rr_1ntt 1
29 3 102 1 "Not handling restraint 102, item 1, resonance(s) 'B.6.H2'1' (nmrStar names) not linked" rr_1ntt 1
30 3 106 1 "Not handling restraint 106, item 1, resonance(s) 'B.7.H5M2' (nmrStar names) not linked" rr_1ntt 1
31 3 110 1 "Not handling restraint 110, item 1, resonance(s) 'B.7.H5M2' (nmrStar names) not linked" rr_1ntt 1
32 3 120 1 "Not handling restraint 120, item 1, resonance(s) 'B.7.H2'2' (nmrStar names) not linked" rr_1ntt 1
33 3 121 1 "Not handling restraint 121, item 1, resonance(s) 'B.7.H2'1' (nmrStar names) not linked" rr_1ntt 1
34 3 122 1 "Not handling restraint 122, item 1, resonance(s) 'B.7.H2'2' (nmrStar names) not linked" rr_1ntt 1
35 3 160 1 "Not handling restraint 160, item 1, resonance(s) 'B.6.H2'1' (nmrStar names) not linked" rr_1ntt 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_1ntt
_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_1ntt 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_1ntt 2
2 1 . . . rr_1ntt 2
3 1 . . . rr_1ntt 2
4 1 . . . rr_1ntt 2
5 1 . . . rr_1ntt 2
6 1 . . . rr_1ntt 2
7 1 . . . rr_1ntt 2
8 1 . . . rr_1ntt 2
9 1 . . . rr_1ntt 2
10 1 . . . rr_1ntt 2
11 1 . . . rr_1ntt 2
12 1 . . . rr_1ntt 2
13 1 . . . rr_1ntt 2
14 1 . . . rr_1ntt 2
15 1 . . . rr_1ntt 2
16 1 . . . rr_1ntt 2
17 1 . . . rr_1ntt 2
18 1 . . . rr_1ntt 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 2 2 A N1 N . . 1 . 3 A N1 rr_1ntt 2
1 1 . 2 . 2 2 7 7 PDU H3 H . . B . 7 PU3' H3 rr_1ntt 2
2 1 . 1 . 1 1 2 2 A H61 H . . 1 . 3 A H61 rr_1ntt 2
2 1 . 2 . 2 2 7 7 PDU O4 O . . B . 7 PU3' O4 rr_1ntt 2
3 1 . 1 . 1 1 3 3 A N1 N . . 1 . 4 A N1 rr_1ntt 2
3 1 . 2 . 2 2 6 6 PDU H3 H . . B . 6 PU H3 rr_1ntt 2
4 1 . 1 . 1 1 3 3 A H61 H . . 1 . 4 A H61 rr_1ntt 2
4 1 . 2 . 2 2 6 6 PDU O4 O . . B . 6 PU O4 rr_1ntt 2
5 1 . 1 . 1 1 4 4 G H1 H . . 1 . 5 G H1 rr_1ntt 2
5 1 . 2 . 2 2 5 5 5PC N3 N . . B . 5 PC N3 rr_1ntt 2
6 1 . 1 . 1 1 4 4 G O6 O . . 1 . 5 G O6 rr_1ntt 2
6 1 . 2 . 2 2 5 5 5PC H42 H . . B . 5 PC H42 rr_1ntt 2
7 1 . 1 . 1 1 4 4 G H22 H . . 1 . 5 G H22 rr_1ntt 2
7 1 . 2 . 2 2 5 5 5PC O2 O . . B . 5 PC O2 rr_1ntt 2
8 1 . 1 . 1 1 5 5 G H1 H . . 1 . 6 G H1 rr_1ntt 2
8 1 . 2 . 2 2 4 4 5PC N3 N . . B . 4 PC N3 rr_1ntt 2
9 1 . 1 . 1 1 5 5 G O6 O . . 1 . 6 G O6 rr_1ntt 2
9 1 . 2 . 2 2 4 4 5PC H42 H . . B . 4 PC H42 rr_1ntt 2
10 1 . 1 . 1 1 5 5 G H22 H . . 1 . 6 G H22 rr_1ntt 2
10 1 . 2 . 2 2 4 4 5PC O2 O . . B . 4 PC O2 rr_1ntt 2
11 1 . 1 . 1 1 6 6 A N1 N . . 1 . 7 A N1 rr_1ntt 2
11 1 . 2 . 2 2 3 3 PDU H3 H . . B . 3 PU H3 rr_1ntt 2
12 1 . 1 . 1 1 6 6 A H61 H . . 1 . 7 A H61 rr_1ntt 2
12 1 . 2 . 2 2 3 3 PDU O4 O . . B . 3 PU O4 rr_1ntt 2
13 1 . 1 . 1 1 7 7 G H1 H . . 1 . 8 G H1 rr_1ntt 2
13 1 . 2 . 2 2 2 2 5PC N3 N . . B . 2 PC N3 rr_1ntt 2
14 1 . 1 . 1 1 7 7 G O6 O . . 1 . 8 G O6 rr_1ntt 2
14 1 . 2 . 2 2 2 2 5PC H42 H . . B . 2 PC H42 rr_1ntt 2
15 1 . 1 . 1 1 7 7 G H22 H . . 1 . 8 G H22 rr_1ntt 2
15 1 . 2 . 2 2 2 2 5PC O2 O . . B . 2 PC O2 rr_1ntt 2
16 1 . 1 . 1 1 8 8 G H1 H . . 1 . 9 G H1 rr_1ntt 2
16 1 . 2 . 2 2 1 1 DC N3 N . . B . 1 PC5' N3 rr_1ntt 2
17 1 . 1 . 1 1 8 8 G O6 O . . 1 . 9 G O6 rr_1ntt 2
17 1 . 2 . 2 2 1 1 DC H42 H . . B . 1 PC5' H42 rr_1ntt 2
18 1 . 1 . 1 1 8 8 G H22 H . . 1 . 9 G H22 rr_1ntt 2
18 1 . 2 . 2 2 1 1 DC O2 O . . B . 1 PC5' O2 rr_1ntt 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_1ntt 2
2 1 . . . . . . . 1.8 2.5 rr_1ntt 2
3 1 . . . . . . . 1.8 2.5 rr_1ntt 2
4 1 . . . . . . . 1.8 2.5 rr_1ntt 2
5 1 . . . . . . . 1.8 2.5 rr_1ntt 2
6 1 . . . . . . . 1.8 2.5 rr_1ntt 2
7 1 . . . . . . . 1.8 2.5 rr_1ntt 2
8 1 . . . . . . . 1.8 2.5 rr_1ntt 2
9 1 . . . . . . . 1.8 2.5 rr_1ntt 2
10 1 . . . . . . . 1.8 2.5 rr_1ntt 2
11 1 . . . . . . . 1.8 2.5 rr_1ntt 2
12 1 . . . . . . . 1.8 2.5 rr_1ntt 2
13 1 . . . . . . . 1.8 2.5 rr_1ntt 2
14 1 . . . . . . . 1.8 2.5 rr_1ntt 2
15 1 . . . . . . . 1.8 2.5 rr_1ntt 2
16 1 . . . . . . . 1.8 2.5 rr_1ntt 2
17 1 . . . . . . . 1.8 2.5 rr_1ntt 2
18 1 . . . . . . . 1.8 2.5 rr_1ntt 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 distance Hydrogen bonding distances (based on Theoretical numbers and observed NOEs between
exchangeable protons on 1D and 2D NOESY spectra
;
1 1 8 1 rr_1ntt 2
2 Hbond 9 90 9 95 rr_1ntt 2
3 Hbond 10 90 10 95 rr_1ntt 2
4 Hbond 11 90 11 95 rr_1ntt 2
5 Hbond 12 90 12 95 rr_1ntt 2
6 Hbond 13 90 13 95 rr_1ntt 2
7 Hbond 14 90 14 95 rr_1ntt 2
8 Hbond 15 90 15 95 rr_1ntt 2
9 Hbond 16 90 16 95 rr_1ntt 2
10 Hbond 17 90 17 95 rr_1ntt 2
11 Hbond 18 90 18 95 rr_1ntt 2
12 Hbond 19 90 19 95 rr_1ntt 2
13 Hbond 20 90 20 95 rr_1ntt 2
14 Hbond 21 90 21 95 rr_1ntt 2
15 Hbond 22 90 22 95 rr_1ntt 2
16 Hbond 23 90 23 95 rr_1ntt 2
17 Hbond 24 90 24 95 rr_1ntt 2
18 Hbond 25 90 25 95 rr_1ntt 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_1ntt
_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_1ntt 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 A O3' O . . 1 1 2 2 A P P . . 1 1 2 2 A O5' O . . 1 1 2 2 A C5' C . -150.0 150.0 . . . A . 2 A O3' . . A . 3 A P . . A . 3 A O5' . . A . 3 A C5' . 1 . 2 A O3' . . . 1 . 3 A P . . . 1 . 3 A O5' . . . 1 . 3 A C5' . . rr_1ntt 1
2 . . 1 1 2 2 A O3' O . . 1 1 3 3 A P P . . 1 1 3 3 A O5' O . . 1 1 3 3 A C5' C . -150.0 150.0 . . . A . 3 A O3' . . A . 4 A P . . A . 4 A O5' . . A . 4 A C5' . 1 . 3 A O3' . . . 1 . 4 A P . . . 1 . 4 A O5' . . . 1 . 4 A C5' . . rr_1ntt 1
3 . . 1 1 3 3 A O3' O . . 1 1 4 4 G P P . . 1 1 4 4 G O5' O . . 1 1 4 4 G C5' C . -150.0 150.0 . . . A . 4 A O3' . . A . 5 G P . . A . 5 G O5' . . A . 5 G C5' . 1 . 4 A O3' . . . 1 . 5 G P . . . 1 . 5 G O5' . . . 1 . 5 G C5' . . rr_1ntt 1
4 . . 1 1 4 4 G O3' O . . 1 1 5 5 G P P . . 1 1 5 5 G O5' O . . 1 1 5 5 G C5' C . -150.0 150.0 . . . A . 5 G O3' . . A . 6 G P . . A . 6 G O5' . . A . 6 G C5' . 1 . 5 G O3' . . . 1 . 6 G P . . . 1 . 6 G O5' . . . 1 . 6 G C5' . . rr_1ntt 1
5 . . 1 1 5 5 G O3' O . . 1 1 6 6 A P P . . 1 1 6 6 A O5' O . . 1 1 6 6 A C5' C . -150.0 150.0 . . . A . 6 G O3' . . A . 7 A P . . A . 7 A O5' . . A . 7 A C5' . 1 . 6 G O3' . . . 1 . 7 A P . . . 1 . 7 A O5' . . . 1 . 7 A C5' . . rr_1ntt 1
6 . . 1 1 6 6 A O3' O . . 1 1 7 7 G P P . . 1 1 7 7 G O5' O . . 1 1 7 7 G C5' C . -150.0 150.0 . . . A . 7 A O3' . . A . 8 G P . . A . 8 G O5' . . A . 8 G C5' . 1 . 7 A O3' . . . 1 . 8 G P . . . 1 . 8 G O5' . . . 1 . 8 G C5' . . rr_1ntt 1
7 . . 1 1 7 7 G O3' O . . 1 1 8 8 G P P . . 1 1 8 8 G O5' O . . 1 1 8 8 G C5' C . -150.0 150.0 . . . A . 8 G O3' . . A . 9 G P . . A . 9 G O5' . . A . 9 G C5' . 1 . 8 G O3' . . . 1 . 9 G P . . . 1 . 9 G O5' . . . 1 . 9 G C5' . . rr_1ntt 1
8 . . 1 1 8 8 G O3' O . . 1 1 9 9 A P P . . 1 1 9 9 A O5' O . . 1 1 9 9 A C5' C . -150.0 150.0 . . . A . 9 G O3' . . A . 10 A P . . A . 10 A O5' . . A . 10 A C5' . 1 . 9 G O3' . . . 1 . 10 A P . . . 1 . 10 A O5' . . . 1 . 10 A C5' . . rr_1ntt 1
9 . . 1 1 2 2 A P P . . 1 1 2 2 A O5' O . . 1 1 2 2 A C5' C . . 1 1 2 2 A C4' C . 150.0 210.0 . . . A . 3 A P . . A . 3 A O5' . . A . 3 A C5' . . A . 3 A C4' . 1 . 3 A P . . . 1 . 3 A O5' . . . 1 . 3 A C5' . . . 1 . 3 A C4' . . rr_1ntt 1
10 . . 1 1 3 3 A P P . . 1 1 3 3 A O5' O . . 1 1 3 3 A C5' C . . 1 1 3 3 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_1ntt 1
11 . . 1 1 4 4 G P P . . 1 1 4 4 G O5' O . . 1 1 4 4 G C5' C . . 1 1 4 4 G C4' C . 150.0 210.0 . . . A . 5 G P . . A . 5 G O5' . . A . 5 G C5' . . A . 5 G C4' . 1 . 5 G P . . . 1 . 5 G O5' . . . 1 . 5 G C5' . . . 1 . 5 G C4' . . rr_1ntt 1
12 . . 1 1 5 5 G P P . . 1 1 5 5 G O5' O . . 1 1 5 5 G C5' C . . 1 1 5 5 G C4' C . 150.0 210.0 . . . A . 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_1ntt 1
13 . . 1 1 6 6 A P P . . 1 1 6 6 A O5' O . . 1 1 6 6 A C5' C . . 1 1 6 6 A C4' C . 150.0 210.0 . . . A . 7 A P . . A . 7 A O5' . . A . 7 A C5' . . A . 7 A C4' . 1 . 7 A P . . . 1 . 7 A O5' . . . 1 . 7 A C5' . . . 1 . 7 A C4' . . rr_1ntt 1
14 . . 1 1 7 7 G P P . . 1 1 7 7 G O5' O . . 1 1 7 7 G C5' C . . 1 1 7 7 G C4' C . 150.0 210.0 . . . A . 8 G P . . A . 8 G O5' . . A . 8 G C5' . . A . 8 G C4' . 1 . 8 G P . . . 1 . 8 G O5' . . . 1 . 8 G C5' . . . 1 . 8 G C4' . . rr_1ntt 1
15 . . 1 1 8 8 G P P . . 1 1 8 8 G O5' O . . 1 1 8 8 G C5' C . . 1 1 8 8 G C4' C . 150.0 210.0 . . . A . 9 G P . . A . 9 G O5' . . A . 9 G C5' . . A . 9 G C4' . 1 . 9 G P . . . 1 . 9 G O5' . . . 1 . 9 G C5' . . . 1 . 9 G C4' . . rr_1ntt 1
16 . . 1 1 9 9 A P P . . 1 1 9 9 A O5' O . . 1 1 9 9 A C5' C . . 1 1 9 9 A C4' C . 150.0 210.0 . . . A . 10 A P . . A . 10 A O5' . . A . 10 A C5' . . A . 10 A C4' . 1 . 10 A P . . . 1 . 10 A O5' . . . 1 . 10 A C5' . . . 1 . 10 A C4' . . rr_1ntt 1
17 . . 1 1 1 1 A O5' O . . 1 1 1 1 A C5' C . . 1 1 1 1 A C4' C . . 1 1 1 1 A C3' C . 30.0 90.0 . . . A . 2 A O5' . . A . 2 A C5' . . A . 2 A C4' . . A . 2 A C3' . 1 . 2 A O5' . . . 1 . 2 A C5' . . . 1 . 2 A C4' . . . 1 . 2 A C3' . . rr_1ntt 1
18 . . 1 1 2 2 A O5' O . . 1 1 2 2 A C5' C . . 1 1 2 2 A C4' C . . 1 1 2 2 A C3' C . 30.0 90.0 . . . A . 3 A O5' . . A . 3 A C5' . . A . 3 A C4' . . A . 3 A C3' . 1 . 3 A O5' . . . 1 . 3 A C5' . . . 1 . 3 A C4' . . . 1 . 3 A C3' . . rr_1ntt 1
19 . . 1 1 3 3 A O5' O . . 1 1 3 3 A C5' C . . 1 1 3 3 A C4' C . . 1 1 3 3 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_1ntt 1
20 . . 1 1 4 4 G O5' O . . 1 1 4 4 G C5' C . . 1 1 4 4 G C4' C . . 1 1 4 4 G C3' C . 30.0 90.0 . . . A . 5 G O5' . . A . 5 G C5' . . A . 5 G C4' . . A . 5 G C3' . 1 . 5 G O5' . . . 1 . 5 G C5' . . . 1 . 5 G C4' . . . 1 . 5 G C3' . . rr_1ntt 1
21 . . 1 1 5 5 G O5' O . . 1 1 5 5 G C5' C . . 1 1 5 5 G C4' C . . 1 1 5 5 G C3' C . 30.0 90.0 . . . A . 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_1ntt 1
22 . . 1 1 6 6 A O5' O . . 1 1 6 6 A C5' C . . 1 1 6 6 A C4' C . . 1 1 6 6 A C3' C . 30.0 90.0 . . . A . 7 A O5' . . A . 7 A C5' . . A . 7 A C4' . . A . 7 A C3' . 1 . 7 A O5' . . . 1 . 7 A C5' . . . 1 . 7 A C4' . . . 1 . 7 A C3' . . rr_1ntt 1
23 . . 1 1 7 7 G O5' O . . 1 1 7 7 G C5' C . . 1 1 7 7 G C4' C . . 1 1 7 7 G C3' C . 30.0 90.0 . . . A . 8 G O5' . . A . 8 G C5' . . A . 8 G C4' . . A . 8 G C3' . 1 . 8 G O5' . . . 1 . 8 G C5' . . . 1 . 8 G C4' . . . 1 . 8 G C3' . . rr_1ntt 1
24 . . 1 1 8 8 G O5' O . . 1 1 8 8 G C5' C . . 1 1 8 8 G C4' C . . 1 1 8 8 G C3' C . 30.0 90.0 . . . A . 9 G O5' . . A . 9 G C5' . . A . 9 G C4' . . A . 9 G C3' . 1 . 9 G O5' . . . 1 . 9 G C5' . . . 1 . 9 G C4' . . . 1 . 9 G C3' . . rr_1ntt 1
25 . . 1 1 9 9 A O5' O . . 1 1 9 9 A C5' C . . 1 1 9 9 A C4' C . . 1 1 9 9 A C3' C . 30.0 90.0 . . . A . 10 A O5' . . A . 10 A C5' . . A . 10 A C4' . . A . 10 A C3' . 1 . 10 A O5' . . . 1 . 10 A C5' . . . 1 . 10 A C4' . . . 1 . 10 A C3' . . rr_1ntt 1
26 . . 1 1 1 1 A C5' C . . 1 1 1 1 A C4' C . . 1 1 1 1 A C3' C . . 1 1 1 1 A O3' O . 70.0 110.0 . . . A . 2 A C5' . . A . 2 A C4' . . A . 2 A C3' . . A . 2 A O3' . 1 . 2 A C5' . . . 1 . 2 A C4' . . . 1 . 2 A C3' . . . 1 . 2 A O3' . . rr_1ntt 1
27 . . 1 1 2 2 A C5' C . . 1 1 2 2 A C4' C . . 1 1 2 2 A C3' C . . 1 1 2 2 A O3' O . 70.0 110.0 . . . A . 3 A C5' . . A . 3 A C4' . . A . 3 A C3' . . A . 3 A O3' . 1 . 3 A C5' . . . 1 . 3 A C4' . . . 1 . 3 A C3' . . . 1 . 3 A O3' . . rr_1ntt 1
28 . . 1 1 3 3 A C5' C . . 1 1 3 3 A C4' C . . 1 1 3 3 A C3' C . . 1 1 3 3 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_1ntt 1
29 . . 1 1 4 4 G C5' C . . 1 1 4 4 G C4' C . . 1 1 4 4 G C3' C . . 1 1 4 4 G O3' O . 70.0 110.0 . . . A . 5 G C5' . . A . 5 G C4' . . A . 5 G C3' . . A . 5 G O3' . 1 . 5 G C5' . . . 1 . 5 G C4' . . . 1 . 5 G C3' . . . 1 . 5 G O3' . . rr_1ntt 1
30 . . 1 1 5 5 G C5' C . . 1 1 5 5 G C4' C . . 1 1 5 5 G C3' C . . 1 1 5 5 G O3' O . 70.0 110.0 . . . A . 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_1ntt 1
31 . . 1 1 6 6 A C5' C . . 1 1 6 6 A C4' C . . 1 1 6 6 A C3' C . . 1 1 6 6 A O3' O . 70.0 110.0 . . . A . 7 A C5' . . A . 7 A C4' . . A . 7 A C3' . . A . 7 A O3' . 1 . 7 A C5' . . . 1 . 7 A C4' . . . 1 . 7 A C3' . . . 1 . 7 A O3' . . rr_1ntt 1
32 . . 1 1 7 7 G C5' C . . 1 1 7 7 G C4' C . . 1 1 7 7 G C3' C . . 1 1 7 7 G O3' O . 70.0 110.0 . . . A . 8 G C5' . . A . 8 G C4' . . A . 8 G C3' . . A . 8 G O3' . 1 . 8 G C5' . . . 1 . 8 G C4' . . . 1 . 8 G C3' . . . 1 . 8 G O3' . . rr_1ntt 1
33 . . 1 1 8 8 G C5' C . . 1 1 8 8 G C4' C . . 1 1 8 8 G C3' C . . 1 1 8 8 G O3' O . 70.0 110.0 . . . A . 9 G C5' . . A . 9 G C4' . . A . 9 G C3' . . A . 9 G O3' . 1 . 9 G C5' . . . 1 . 9 G C4' . . . 1 . 9 G C3' . . . 1 . 9 G O3' . . rr_1ntt 1
34 . . 1 1 9 9 A C5' C . . 1 1 9 9 A C4' C . . 1 1 9 9 A C3' C . . 1 1 9 9 A O3' O . 70.0 110.0 . . . A . 10 A C5' . . A . 10 A C4' . . A . 10 A C3' . . A . 10 A O3' . 1 . 10 A C5' . . . 1 . 10 A C4' . . . 1 . 10 A C3' . . . 1 . 10 A O3' . . rr_1ntt 1
35 . . 1 1 1 1 A C4' C . . 1 1 1 1 A C3' C . . 1 1 1 1 A O3' O . . 1 1 2 2 A P P . -170.0 -100.0 . . . A . 2 A C4' . . A . 2 A C3' . . A . 2 A O3' . . A . 3 A P . 1 . 2 A C4' . . . 1 . 2 A C3' . . . 1 . 2 A O3' . . . 1 . 3 A P . . rr_1ntt 1
36 . . 1 1 2 2 A C4' C . . 1 1 2 2 A C3' C . . 1 1 2 2 A O3' O . . 1 1 3 3 A P P . -170.0 -100.0 . . . A . 3 A C4' . . A . 3 A C3' . . A . 3 A O3' . . A . 4 A P . 1 . 3 A C4' . . . 1 . 3 A C3' . . . 1 . 3 A O3' . . . 1 . 4 A P . . rr_1ntt 1
37 . . 1 1 3 3 A C4' C . . 1 1 3 3 A C3' C . . 1 1 3 3 A O3' O . . 1 1 4 4 G P P . -170.0 -100.0 . . . A . 4 A C4' . . A . 4 A C3' . . A . 4 A O3' . . A . 5 G P . 1 . 4 A C4' . . . 1 . 4 A C3' . . . 1 . 4 A O3' . . . 1 . 5 G P . . rr_1ntt 1
38 . . 1 1 4 4 G C4' C . . 1 1 4 4 G C3' C . . 1 1 4 4 G O3' O . . 1 1 5 5 G P P . -170.0 -100.0 . . . A . 5 G C4' . . A . 5 G C3' . . A . 5 G O3' . . A . 6 G P . 1 . 5 G C4' . . . 1 . 5 G C3' . . . 1 . 5 G O3' . . . 1 . 6 G P . . rr_1ntt 1
39 . . 1 1 5 5 G C4' C . . 1 1 5 5 G C3' C . . 1 1 5 5 G O3' O . . 1 1 6 6 A P P . -170.0 -100.0 . . . A . 6 G C4' . . A . 6 G C3' . . A . 6 G O3' . . A . 7 A P . 1 . 6 G C4' . . . 1 . 6 G C3' . . . 1 . 6 G O3' . . . 1 . 7 A P . . rr_1ntt 1
40 . . 1 1 6 6 A C4' C . . 1 1 6 6 A C3' C . . 1 1 6 6 A O3' O . . 1 1 7 7 G P P . -170.0 -100.0 . . . A . 7 A C4' . . A . 7 A C3' . . A . 7 A O3' . . A . 8 G P . 1 . 7 A C4' . . . 1 . 7 A C3' . . . 1 . 7 A O3' . . . 1 . 8 G P . . rr_1ntt 1
41 . . 1 1 7 7 G C4' C . . 1 1 7 7 G C3' C . . 1 1 7 7 G O3' O . . 1 1 8 8 G P P . -170.0 -100.0 . . . A . 8 G C4' . . A . 8 G C3' . . A . 8 G O3' . . A . 9 G P . 1 . 8 G C4' . . . 1 . 8 G C3' . . . 1 . 8 G O3' . . . 1 . 9 G P . . rr_1ntt 1
42 . . 1 1 8 8 G C4' C . . 1 1 8 8 G C3' C . . 1 1 8 8 G O3' O . . 1 1 9 9 A P P . -170.0 -100.0 . . . A . 9 G C4' . . A . 9 G C3' . . A . 9 G O3' . . A . 10 A P . 1 . 9 G C4' . . . 1 . 9 G C3' . . . 1 . 9 G O3' . . . 1 . 10 A P . . rr_1ntt 1
43 . . 1 1 1 1 A C3' C . . 1 1 1 1 A O3' O . . 1 1 2 2 A P P . . 1 1 2 2 A O5' O . -150.0 150.0 . . . A . 2 A C3' . . A . 2 A O3' . . A . 3 A P . . A . 3 A O5' . 1 . 2 A C3' . . . 1 . 2 A O3' . . . 1 . 3 A P . . . 1 . 3 A O5' . . rr_1ntt 1
44 . . 1 1 2 2 A C3' C . . 1 1 2 2 A O3' O . . 1 1 3 3 A P P . . 1 1 3 3 A O5' O . -150.0 150.0 . . . A . 3 A C3' . . A . 3 A O3' . . A . 4 A P . . A . 4 A O5' . 1 . 3 A C3' . . . 1 . 3 A O3' . . . 1 . 4 A P . . . 1 . 4 A O5' . . rr_1ntt 1
45 . . 1 1 3 3 A C3' C . . 1 1 3 3 A O3' O . . 1 1 4 4 G P P . . 1 1 4 4 G O5' O . -150.0 150.0 . . . A . 4 A C3' . . A . 4 A O3' . . A . 5 G P . . A . 5 G O5' . 1 . 4 A C3' . . . 1 . 4 A O3' . . . 1 . 5 G P . . . 1 . 5 G O5' . . rr_1ntt 1
46 . . 1 1 4 4 G C3' C . . 1 1 4 4 G O3' O . . 1 1 5 5 G P P . . 1 1 5 5 G O5' O . -150.0 150.0 . . . A . 5 G C3' . . A . 5 G O3' . . A . 6 G P . . A . 6 G O5' . 1 . 5 G C3' . . . 1 . 5 G O3' . . . 1 . 6 G P . . . 1 . 6 G O5' . . rr_1ntt 1
47 . . 1 1 5 5 G C3' C . . 1 1 5 5 G O3' O . . 1 1 6 6 A P P . . 1 1 6 6 A O5' O . -150.0 150.0 . . . A . 6 G C3' . . A . 6 G O3' . . A . 7 A P . . A . 7 A O5' . 1 . 6 G C3' . . . 1 . 6 G O3' . . . 1 . 7 A P . . . 1 . 7 A O5' . . rr_1ntt 1
48 . . 1 1 6 6 A C3' C . . 1 1 6 6 A O3' O . . 1 1 7 7 G P P . . 1 1 7 7 G O5' O . -150.0 150.0 . . . A . 7 A C3' . . A . 7 A O3' . . A . 8 G P . . A . 8 G O5' . 1 . 7 A C3' . . . 1 . 7 A O3' . . . 1 . 8 G P . . . 1 . 8 G O5' . . rr_1ntt 1
49 . . 1 1 7 7 G C3' C . . 1 1 7 7 G O3' O . . 1 1 8 8 G P P . . 1 1 8 8 G O5' O . -150.0 150.0 . . . A . 8 G C3' . . A . 8 G O3' . . A . 9 G P . . A . 9 G O5' . 1 . 8 G C3' . . . 1 . 8 G O3' . . . 1 . 9 G P . . . 1 . 9 G O5' . . rr_1ntt 1
50 . . 1 1 8 8 G C3' C . . 1 1 8 8 G O3' O . . 1 1 9 9 A P P . . 1 1 9 9 A O5' O . -150.0 150.0 . . . A . 9 G C3' . . A . 9 G O3' . . A . 10 A P . . A . 10 A O5' . 1 . 9 G C3' . . . 1 . 9 G O3' . . . 1 . 10 A P . . . 1 . 10 A O5' . . rr_1ntt 1
51 . . 1 1 1 1 A O4' O . . 1 1 1 1 A C1' C . . 1 1 1 1 A N9 N . . 1 1 1 1 A C4 C . 150.0 210.0 . . . A . 2 A O4' . . A . 2 A C1' . . A . 2 A N9 . . A . 2 A C4 . 1 . 2 A O4' . . . 1 . 2 A C1' . . . 1 . 2 A N9 . . . 1 . 2 A C4 . . rr_1ntt 1
52 . . 1 1 2 2 A O4' O . . 1 1 2 2 A C1' C . . 1 1 2 2 A N9 N . . 1 1 2 2 A C4 C . 150.0 210.0 . . . A . 3 A O4' . . A . 3 A C1' . . A . 3 A N9 . . A . 3 A C4 . 1 . 3 A O4' . . . 1 . 3 A C1' . . . 1 . 3 A N9 . . . 1 . 3 A C4 . . rr_1ntt 1
53 . . 1 1 3 3 A O4' O . . 1 1 3 3 A C1' C . . 1 1 3 3 A N9 N . . 1 1 3 3 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_1ntt 1
54 . . 1 1 4 4 G O4' O . . 1 1 4 4 G C1' C . . 1 1 4 4 G N9 N . . 1 1 4 4 G C4 C . 150.0 210.0 . . . A . 5 G O4' . . A . 5 G C1' . . A . 5 G N9 . . A . 5 G C4 . 1 . 5 G O4' . . . 1 . 5 G C1' . . . 1 . 5 G N9 . . . 1 . 5 G C4 . . rr_1ntt 1
55 . . 1 1 5 5 G O4' O . . 1 1 5 5 G C1' C . . 1 1 5 5 G N9 N . . 1 1 5 5 G C4 C . 150.0 210.0 . . . A . 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_1ntt 1
56 . . 1 1 6 6 A O4' O . . 1 1 6 6 A C1' C . . 1 1 6 6 A N9 N . . 1 1 6 6 A C4 C . 150.0 210.0 . . . A . 7 A O4' . . A . 7 A C1' . . A . 7 A N9 . . A . 7 A C4 . 1 . 7 A O4' . . . 1 . 7 A C1' . . . 1 . 7 A N9 . . . 1 . 7 A C4 . . rr_1ntt 1
57 . . 1 1 7 7 G O4' O . . 1 1 7 7 G C1' C . . 1 1 7 7 G N9 N . . 1 1 7 7 G C4 C . 150.0 210.0 . . . A . 8 G O4' . . A . 8 G C1' . . A . 8 G N9 . . A . 8 G C4 . 1 . 8 G O4' . . . 1 . 8 G C1' . . . 1 . 8 G N9 . . . 1 . 8 G C4 . . rr_1ntt 1
58 . . 1 1 8 8 G O4' O . . 1 1 8 8 G C1' C . . 1 1 8 8 G N9 N . . 1 1 8 8 G C4 C . 150.0 210.0 . . . A . 9 G O4' . . A . 9 G C1' . . A . 9 G N9 . . A . 9 G C4 . 1 . 9 G O4' . . . 1 . 9 G C1' . . . 1 . 9 G N9 . . . 1 . 9 G C4 . . rr_1ntt 1
59 . . 1 1 9 9 A O4' O . . 1 1 9 9 A C1' C . . 1 1 9 9 A N9 N . . 1 1 9 9 A C4 C . 150.0 210.0 . . . A . 10 A O4' . . A . 10 A C1' . . A . 10 A N9 . . A . 10 A C4 . 1 . 10 A O4' . . . 1 . 10 A C1' . . . 1 . 10 A N9 . . . 1 . 10 A C4 . . rr_1ntt 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
********************************************** NMR_dihedral
alpha (NOT TIGHTLY RESTRAINED) P-O5'; first strand (RNA) ONLY RESTRAINED TO C3'ENDO
;
1 1 11 1 rr_1ntt 1
2 "beta (NOT TIGHTLY RESTRAINED) O5'-C5'; first strand (RNA) ONLY RESTRAINED TO C3'ENDO" 20 1 22 1 rr_1ntt 1
3 "gamma C5'-C4'; first strand (RNA) ONLY RESTRAINED TO C3'ENDO" 31 1 34 1 rr_1ntt 1
4 "delta C4'-C3'; first strand (RNA) ONLY RESTRAINED TO C3'ENDO" 44 1 48 1 rr_1ntt 1
5 "epsilon C3'-O3'; first strand (RNA) ONLY RESTRAINED TO C3'ENDO" 58 1 62 1 rr_1ntt 1
6 "zeta O3'-P; first strand (RNA) ONLY RESTRAINED TO C3'ENDO" 71 1 74 1 rr_1ntt 1
7 "chi Glycosidic torsions; strand 1 (RNA) ONLY RESTRAINED TO C3'ENDO" 83 1 87 1 rr_1ntt 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_1ntt
_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/DNA 30-JAN-03 1NTT *TITLE 5'(DCPCPUPCPCPUPUP)3':(RAGGAGGAAA)5', WHERE P=PROPYNYL *COMPND MOL_ID: 1; *COMPND 2 MOLECULE: 5'-R(*AP*AP*AP*GP*GP*AP*GP*GP*A)-3'; *COMPND 3 CHAIN: A; *COMPND 4 ENGINEERED: YES; *COMPND 5 MOL_ID: 2; *COMPND 6 MOLECULE: 5'-D(*CP*(5PC)P*(PDU)P*(5PC)P*(5PC)P*(PDU) *COMPND 7 P*(PDU))-3'; *COMPND 8 CHAIN: B; *COMPND 9 ENGINEERED: YES *SOURCE MOL_ID: 1; *SOURCE 2 SYNTHETIC: YES; *SOURCE 3 MOL_ID: 2; *SOURCE 4 SYNTHETIC: YES *KEYWDS DNA, RNA, HYBRID, PROPYNYL *EXPDTA NMR, MINIMIZED AVERAGE STRUCTURE *AUTHOR B.M.ZNOSKO, T.W.BARNES III, T.R.KRUGH, D.H.TURNER *REVDAT 1 10-JUN-03 1NTT 0"
save_
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