NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype |
|
|
299132 |
1k2k   |
5339 | cing | 3-converted-DOCR | STAR | entry | full |
data_DOCR_restraints_with_modified_coordinates_PDB_code_1k2k
# This DOCR archive file contains, for PDB entry <1k2k>:
#
# - 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_1k2k
_Entry.Title "wwPDB remediated NMR restraints for PDB entry 1k2k"
_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 1k2k"
save_
save_assembly
_Assembly.Sf_category assembly
_Assembly.Sf_framecode assembly
_Assembly.Entry_ID rr_1k2k
_Assembly.ID 1
_Assembly.Name 1k2k
_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 3738.36252
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 D CP GP TP AP CP G 3" 1 $5__D__CP_GP_TP_AP_CP_G__3_ A . no . . . . . . rr_1k2k 1
2 "5 D CP GP TP AP CP G 3" 1 $5__D__CP_GP_TP_AP_CP_G__3_ B . no . . . . . . rr_1k2k 1
stop_
save_
save_5__D__CP_GP_TP_AP_CP_G__3_
_Entity.Sf_category entity
_Entity.Sf_framecode 5__D__CP_GP_TP_AP_CP_G__3_
_Entity.Entry_ID rr_1k2k
_Entity.ID 1
_Entity.Name 5__D__CP_GP_TP_AP_CP_G__3_
_Entity.Type polymer
_Entity.Polymer_type polydeoxyribonucleotide
_Entity.Polymer_strand_ID A,B
_Entity.Polymer_seq_one_letter_code CGTACG
_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 6
_Entity.Paramagnetic no
_Entity.Thiol_state "not present"
_Entity.Parent_entity_ID 1
_Entity.Formula_weight 1869.18126
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_1k2k 1
2 . DG . rr_1k2k 1
3 . DT . rr_1k2k 1
4 . DA . rr_1k2k 1
5 . DC . rr_1k2k 1
6 . DG . rr_1k2k 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
. DC 1 1 rr_1k2k 1
. DG 2 2 rr_1k2k 1
. DT 3 3 rr_1k2k 1
. DA 4 4 rr_1k2k 1
. DC 5 5 rr_1k2k 1
. DG 6 6 rr_1k2k 1
stop_
save_
save_conformer_statistics
_Conformer_stat_list.Sf_category conformer_statistics
_Conformer_stat_list.Sf_framecode conformer_statistics
_Conformer_stat_list.Entry_ID rr_1k2k
_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_1k2k
_Conformer_family_coord_set.ID 1
loop_
_Conformer_family_refinement.Refine_method
_Conformer_family_refinement.Refine_details
_Conformer_family_refinement.Entry_ID
_Conformer_family_refinement.Conformer_family_coord_set_ID
1 . rr_1k2k 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_1k2k 1
stop_
loop_
_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_atom_name
_Atom_site.PDB_ins_code
_Atom_site.PDB_model_num
_Atom_site.PDB_residue_name
_Atom_site.PDB_residue_no
_Atom_site.PDB_strand_id
_Atom_site.Auth_asym_ID
_Atom_site.Auth_chain_ID
_Atom_site.Auth_entity_assembly_ID
_Atom_site.Auth_seq_ID
_Atom_site.Auth_comp_ID
_Atom_site.Auth_atom_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 DC C1' C 2.958 -3.285 -0.829 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 1 DC C1' . . rr_1k2k 1
1 . 2 . 1 1 1 DC C2 C 2.353 -0.881 -0.434 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 1 DC C2 . . rr_1k2k 1
1 . 3 . 1 1 1 DC C2' C 2.284 -4.306 0.077 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 1 DC C2' . . rr_1k2k 1
1 . 4 . 1 1 1 DC C3' C 3.107 -5.574 -0.218 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 1 DC C3' . . rr_1k2k 1
1 . 5 . 1 1 1 DC C4 C 0.568 0.049 -1.636 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 1 DC C4 . . rr_1k2k 1
1 . 6 . 1 1 1 DC C4' C 3.395 -5.401 -1.741 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 1 DC C4' . . rr_1k2k 1
1 . 7 . 1 1 1 DC C5 C 0.266 -1.214 -2.243 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 1 DC C5 . . rr_1k2k 1
1 . 8 . 1 1 1 DC C5' C 2.437 -6.250 -2.588 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 1 DC C5' . . rr_1k2k 1
1 . 9 . 1 1 1 DC C6 C 1.080 -2.243 -1.916 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 1 DC C6 . . rr_1k2k 1
1 . 10 . 1 1 1 DC H1' H 3.879 -2.922 -0.439 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 1 DC H1' . . rr_1k2k 1
1 . 11 . 1 1 1 DC H2' H 1.234 -4.399 -0.222 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 1 DC H2' . . rr_1k2k 1
1 . 12 . 1 1 1 DC H2'' H 2.276 -4.005 1.115 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 1 DC H2'' . . rr_1k2k 1
1 . 13 . 1 1 1 DC H3' H 2.550 -6.485 0.078 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 1 DC H3' . . rr_1k2k 1
1 . 14 . 1 1 1 DC H4' H 4.414 -5.683 -2.100 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 1 DC H4' . . rr_1k2k 1
1 . 15 . 1 1 1 DC H41 H 0.172 2.034 -1.647 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 1 DC H41 . . rr_1k2k 1
1 . 16 . 1 1 1 DC H42 H -0.893 1.053 -2.630 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 1 DC H42 . . rr_1k2k 1
1 . 17 . 1 1 1 DC H5 H -0.541 -1.372 -2.943 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 1 DC H5 . . rr_1k2k 1
1 . 18 . 1 1 1 DC H5' H 2.562 -5.998 -3.642 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 1 DC H5' . . rr_1k2k 1
1 . 19 . 1 1 1 DC H5'' H 2.686 -7.302 -2.448 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 1 DC H5'' . . rr_1k2k 1
1 . 20 . 1 1 1 DC H6 H 1.029 -3.247 -2.283 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 1 DC H6 . . rr_1k2k 1
1 . 21 . 1 1 1 DC HO5' H 0.830 -5.168 -2.443 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 1 DC HO5' . . rr_1k2k 1
1 . 22 . 1 1 1 DC N1 N 2.104 -2.101 -1.054 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 1 DC N1 . . rr_1k2k 1
1 . 23 . 1 1 1 DC N3 N 1.583 0.196 -0.774 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 1 DC N3 . . rr_1k2k 1
1 . 24 . 1 1 1 DC N4 N -0.139 1.124 -1.967 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 1 DC N4 . . rr_1k2k 1
1 . 25 . 1 1 1 DC O2 O 3.253 -0.751 0.392 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 1 DC O2 . . rr_1k2k 1
1 . 26 . 1 1 1 DC O3' O 4.387 -5.588 0.390 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 1 DC O3' . . rr_1k2k 1
1 . 27 . 1 1 1 DC O4' O 3.229 -4.012 -2.028 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 1 DC O4' . . rr_1k2k 1
1 . 28 . 1 1 1 DC O5' O 1.086 -6.065 -2.224 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 1 DC O5' . . rr_1k2k 1
1 . 29 . 1 1 2 DG C1' C 6.336 -2.949 4.026 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 2 DG C1' . . rr_1k2k 1
1 . 30 . 1 1 2 DG C2 C 3.966 0.737 3.677 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 2 DG C2 . . rr_1k2k 1
1 . 31 . 1 1 2 DG C2' C 6.654 -4.081 4.997 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 2 DG C2' . . rr_1k2k 1
1 . 32 . 1 1 2 DG C3' C 7.896 -4.727 4.374 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 2 DG C3' . . rr_1k2k 1
1 . 33 . 1 1 2 DG C4 C 4.252 -1.494 3.759 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 2 DG C4 . . rr_1k2k 1
1 . 34 . 1 1 2 DG C4' C 7.751 -4.386 2.873 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 2 DG C4' . . rr_1k2k 1
1 . 35 . 1 1 2 DG C5 C 2.938 -1.762 3.461 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 2 DG C5 . . rr_1k2k 1
1 . 36 . 1 1 2 DG C5' C 7.139 -5.537 2.066 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 2 DG C5' . . rr_1k2k 1
1 . 37 . 1 1 2 DG C6 C 2.061 -0.686 3.141 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 2 DG C6 . . rr_1k2k 1
1 . 38 . 1 1 2 DG C8 C 3.852 -3.640 3.811 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 2 DG C8 . . rr_1k2k 1
1 . 39 . 1 1 2 DG H1 H 2.059 1.351 3.107 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 2 DG H1 . . rr_1k2k 1
1 . 40 . 1 1 2 DG H1' H 6.935 -2.077 4.311 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 2 DG H1' . . rr_1k2k 1
1 . 41 . 1 1 2 DG H2' H 5.843 -4.756 5.201 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 2 DG H2' . . rr_1k2k 1
1 . 42 . 1 1 2 DG H2'' H 6.798 -3.711 5.983 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 2 DG H2'' . . rr_1k2k 1
1 . 43 . 1 1 2 DG H21 H 3.759 2.761 3.767 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 2 DG H21 . . rr_1k2k 1
1 . 44 . 1 1 2 DG H22 H 5.345 2.124 4.168 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 2 DG H22 . . rr_1k2k 1
1 . 45 . 1 1 2 DG H3' H 7.942 -5.814 4.549 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 2 DG H3' . . rr_1k2k 1
1 . 46 . 1 1 2 DG H4' H 8.692 -4.036 2.414 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 2 DG H4' . . rr_1k2k 1
1 . 47 . 1 1 2 DG H5' H 7.106 -5.235 1.018 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 2 DG H5' . . rr_1k2k 1
1 . 48 . 1 1 2 DG H5'' H 7.744 -6.440 2.158 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 2 DG H5'' . . rr_1k2k 1
1 . 49 . 1 1 2 DG H8 H 3.963 -4.711 3.950 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 2 DG H8 . . rr_1k2k 1
1 . 50 . 1 1 2 DG N1 N 2.653 0.552 3.323 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 2 DG N1 . . rr_1k2k 1
1 . 51 . 1 1 2 DG N2 N 4.398 1.979 3.858 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 2 DG N2 . . rr_1k2k 1
1 . 52 . 1 1 2 DG N3 N 4.825 -0.266 3.879 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 2 DG N3 . . rr_1k2k 1
1 . 53 . 1 1 2 DG N7 N 2.688 -3.124 3.537 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 2 DG N7 . . rr_1k2k 1
1 . 54 . 1 1 2 DG N9 N 4.870 -2.714 3.917 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 2 DG N9 . . rr_1k2k 1
1 . 55 . 1 1 2 DG O3' O 9.086 -4.118 4.850 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 2 DG O3' . . rr_1k2k 1
1 . 56 . 1 1 2 DG O4' O 6.834 -3.313 2.756 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 2 DG O4' . . rr_1k2k 1
1 . 57 . 1 1 2 DG O5' O 5.825 -5.771 2.541 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 2 DG O5' . . rr_1k2k 1
1 . 58 . 1 1 2 DG O6 O 0.905 -0.748 2.725 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 2 DG O6 . . rr_1k2k 1
1 . 59 . 1 1 2 DG OP1 O 5.294 -7.802 1.181 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 2 DG OP1 . . rr_1k2k 1
1 . 60 . 1 1 2 DG OP2 O 3.517 -6.716 2.478 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 2 DG OP2 . . rr_1k2k 1
1 . 61 . 1 1 2 DG P P 4.729 -6.520 1.654 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 2 DG P . . rr_1k2k 1
1 . 62 . 1 1 3 DT C1' C 5.923 0.167 7.409 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 3 DT C1' . . rr_1k2k 1
1 . 63 . 1 1 3 DT C2 C 3.490 0.574 7.096 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 3 DT C2 . . rr_1k2k 1
1 . 64 . 1 1 3 DT C2' C 6.605 -0.228 8.739 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 3 DT C2' . . rr_1k2k 1
1 . 65 . 1 1 3 DT C3' C 8.060 -0.002 8.299 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 3 DT C3' . . rr_1k2k 1
1 . 66 . 1 1 3 DT C4 C 2.003 -1.343 6.694 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 3 DT C4 . . rr_1k2k 1
1 . 67 . 1 1 3 DT C4' C 8.048 -0.433 6.816 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 3 DT C4' . . rr_1k2k 1
1 . 68 . 1 1 3 DT C5 C 3.140 -2.206 6.968 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 3 DT C5 . . rr_1k2k 1
1 . 69 . 1 1 3 DT C5' C 9.007 -1.563 6.421 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 3 DT C5' . . rr_1k2k 1
1 . 70 . 1 1 3 DT C6 C 4.351 -1.663 7.239 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 3 DT C6 . . rr_1k2k 1
1 . 71 . 1 1 3 DT C7 C 2.965 -3.713 6.967 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 3 DT C7 . . rr_1k2k 1
1 . 72 . 1 1 3 DT H1' H 5.981 1.258 7.212 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 3 DT H1' . . rr_1k2k 1
1 . 73 . 1 1 3 DT H2' H 6.477 -1.294 9.049 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 3 DT H2' . . rr_1k2k 1
1 . 74 . 1 1 3 DT H2'' H 6.269 0.385 9.584 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 3 DT H2'' . . rr_1k2k 1
1 . 75 . 1 1 3 DT H3 H 1.533 0.656 6.516 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 3 DT H3 . . rr_1k2k 1
1 . 76 . 1 1 3 DT H3' H 8.753 -0.614 8.878 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 3 DT H3' . . rr_1k2k 1
1 . 77 . 1 1 3 DT H4' H 8.350 0.323 6.096 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 3 DT H4' . . rr_1k2k 1
1 . 78 . 1 1 3 DT H5' H 8.962 -1.649 5.335 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 3 DT H5' . . rr_1k2k 1
1 . 79 . 1 1 3 DT H5'' H 10.020 -1.257 6.685 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 3 DT H5'' . . rr_1k2k 1
1 . 80 . 1 1 3 DT H6 H 5.266 -2.225 7.354 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 3 DT H6 . . rr_1k2k 1
1 . 81 . 1 1 3 DT H71 H 2.577 -4.026 7.937 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 3 DT H71 . . rr_1k2k 1
1 . 82 . 1 1 3 DT H72 H 2.245 -3.996 6.197 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 3 DT H72 . . rr_1k2k 1
1 . 83 . 1 1 3 DT H73 H 3.910 -4.219 6.776 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 3 DT H73 . . rr_1k2k 1
1 . 84 . 1 1 3 DT N1 N 4.537 -0.318 7.301 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 3 DT N1 . . rr_1k2k 1
1 . 85 . 1 1 3 DT N3 N 2.272 0.008 6.783 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 3 DT N3 . . rr_1k2k 1
1 . 86 . 1 1 3 DT O2 O 3.605 1.793 7.183 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 3 DT O2 . . rr_1k2k 1
1 . 87 . 1 1 3 DT O3' O 8.414 1.369 8.364 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 3 DT O3' . . rr_1k2k 1
1 . 88 . 1 1 3 DT O4 O 0.884 -1.716 6.355 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 3 DT O4 . . rr_1k2k 1
1 . 89 . 1 1 3 DT O4' O 6.697 -0.522 6.431 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 3 DT O4' . . rr_1k2k 1
1 . 90 . 1 1 3 DT O5' O 8.760 -2.824 7.009 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 3 DT O5' . . rr_1k2k 1
1 . 91 . 1 1 3 DT OP1 O 10.966 -3.939 6.526 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 3 DT OP1 . . rr_1k2k 1
1 . 92 . 1 1 3 DT OP2 O 9.014 -5.343 7.066 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 3 DT OP2 . . rr_1k2k 1
1 . 93 . 1 1 3 DT P P 9.503 -4.115 6.402 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 3 DT P . . rr_1k2k 1
1 . 94 . 1 1 4 DA C1' C 4.332 4.581 10.082 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 4 DA C1' . . rr_1k2k 1
1 . 95 . 1 1 4 DA C2 C 0.331 3.138 8.951 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 4 DA C2 . . rr_1k2k 1
1 . 96 . 1 1 4 DA C2' C 5.064 5.020 11.352 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 4 DA C2' . . rr_1k2k 1
1 . 97 . 1 1 4 DA C3' C 6.327 5.738 10.860 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 4 DA C3' . . rr_1k2k 1
1 . 98 . 1 1 4 DA C4 C 2.353 2.976 9.843 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 4 DA C4 . . rr_1k2k 1
1 . 99 . 1 1 4 DA C4' C 6.453 5.280 9.391 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 4 DA C4' . . rr_1k2k 1
1 . 100 . 1 1 4 DA C5 C 2.197 1.640 10.105 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 4 DA C5 . . rr_1k2k 1
1 . 101 . 1 1 4 DA C5' C 7.701 4.423 9.152 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 4 DA C5' . . rr_1k2k 1
1 . 102 . 1 1 4 DA C6 C 1.004 1.059 9.650 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 4 DA C6 . . rr_1k2k 1
1 . 103 . 1 1 4 DA C8 C 4.051 2.182 10.936 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 4 DA C8 . . rr_1k2k 1
1 . 104 . 1 1 4 DA H1' H 3.625 5.342 9.756 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 4 DA H1' . . rr_1k2k 1
1 . 105 . 1 1 4 DA H2 H -0.442 3.743 8.508 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 4 DA H2 . . rr_1k2k 1
1 . 106 . 1 1 4 DA H2' H 5.211 4.264 12.120 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 4 DA H2' . . rr_1k2k 1
1 . 107 . 1 1 4 DA H2'' H 4.429 5.707 11.849 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 4 DA H2'' . . rr_1k2k 1
1 . 108 . 1 1 4 DA H3' H 7.222 5.441 11.409 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 4 DA H3' . . rr_1k2k 1
1 . 109 . 1 1 4 DA H4' H 6.513 6.142 8.703 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 4 DA H4' . . rr_1k2k 1
1 . 110 . 1 1 4 DA H5' H 7.727 4.141 8.098 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 4 DA H5' . . rr_1k2k 1
1 . 111 . 1 1 4 DA H5'' H 8.593 5.009 9.380 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 4 DA H5'' . . rr_1k2k 1
1 . 112 . 1 1 4 DA H61 H -0.055 -0.671 9.376 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 4 DA H61 . . rr_1k2k 1
1 . 113 . 1 1 4 DA H62 H 1.450 -0.801 10.274 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 4 DA H62 . . rr_1k2k 1
1 . 114 . 1 1 4 DA H8 H 4.961 2.190 11.504 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 4 DA H8 . . rr_1k2k 1
1 . 115 . 1 1 4 DA N1 N 0.076 1.838 9.073 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 4 DA N1 . . rr_1k2k 1
1 . 116 . 1 1 4 DA N3 N 1.433 3.800 9.281 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 4 DA N3 . . rr_1k2k 1
1 . 117 . 1 1 4 DA N6 N 0.775 -0.247 9.771 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 4 DA N6 . . rr_1k2k 1
1 . 118 . 1 1 4 DA N7 N 3.273 1.141 10.829 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 4 DA N7 . . rr_1k2k 1
1 . 119 . 1 1 4 DA N9 N 3.613 3.303 10.285 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 4 DA N9 . . rr_1k2k 1
1 . 120 . 1 1 4 DA O3' O 6.208 7.145 11.007 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 4 DA O3' . . rr_1k2k 1
1 . 121 . 1 1 4 DA O4' O 5.318 4.479 9.072 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 4 DA O4' . . rr_1k2k 1
1 . 122 . 1 1 4 DA O5' O 7.676 3.254 9.952 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 4 DA O5' . . rr_1k2k 1
1 . 123 . 1 1 4 DA OP1 O 10.109 2.725 9.647 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 4 DA OP1 . . rr_1k2k 1
1 . 124 . 1 1 4 DA OP2 O 8.675 1.145 10.868 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 4 DA OP2 . . rr_1k2k 1
1 . 125 . 1 1 4 DA P P 8.770 2.105 9.746 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 4 DA P . . rr_1k2k 1
1 . 126 . 1 1 5 DC C1' C 0.756 6.165 12.037 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 5 DC C1' . . rr_1k2k 1
1 . 127 . 1 1 5 DC C2 C -0.269 3.912 12.021 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 5 DC C2 . . rr_1k2k 1
1 . 128 . 1 1 5 DC C2' C 0.290 6.901 13.303 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 5 DC C2' . . rr_1k2k 1
1 . 129 . 1 1 5 DC C3' C 1.125 8.203 13.256 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 5 DC C3' . . rr_1k2k 1
1 . 130 . 1 1 5 DC C4 C 0.765 2.167 13.184 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 5 DC C4 . . rr_1k2k 1
1 . 131 . 1 1 5 DC C4' C 2.265 7.839 12.298 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 5 DC C4' . . rr_1k2k 1
1 . 132 . 1 1 5 DC C5 C 1.812 3.032 13.640 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 5 DC C5 . . rr_1k2k 1
1 . 133 . 1 1 5 DC C5' C 3.648 8.506 12.407 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 5 DC C5' . . rr_1k2k 1
1 . 134 . 1 1 5 DC C6 C 1.796 4.302 13.172 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 5 DC C6 . . rr_1k2k 1
1 . 135 . 1 1 5 DC H1' H 0.122 6.416 11.185 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 5 DC H1' . . rr_1k2k 1
1 . 136 . 1 1 5 DC H2' H 0.599 6.373 14.205 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 5 DC H2' . . rr_1k2k 1
1 . 137 . 1 1 5 DC H2'' H -0.825 6.926 13.281 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 5 DC H2'' . . rr_1k2k 1
1 . 138 . 1 1 5 DC H3' H 1.665 8.411 14.185 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 5 DC H3' . . rr_1k2k 1
1 . 139 . 1 1 5 DC H4' H 1.989 8.259 11.372 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 5 DC H4' . . rr_1k2k 1
1 . 140 . 1 1 5 DC H41 H 0.074 0.284 13.061 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 5 DC H41 . . rr_1k2k 1
1 . 141 . 1 1 5 DC H42 H 1.529 0.481 14.029 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 5 DC H42 . . rr_1k2k 1
1 . 142 . 1 1 5 DC H5 H 2.539 2.731 14.377 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 5 DC H5 . . rr_1k2k 1
1 . 143 . 1 1 5 DC H5' H 3.965 8.745 11.388 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 5 DC H5' . . rr_1k2k 1
1 . 144 . 1 1 5 DC H5'' H 3.558 9.449 12.947 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 5 DC H5'' . . rr_1k2k 1
1 . 145 . 1 1 5 DC H6 H 2.530 5.073 13.412 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 5 DC H6 . . rr_1k2k 1
1 . 146 . 1 1 5 DC N1 N 0.798 4.732 12.352 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 5 DC N1 . . rr_1k2k 1
1 . 147 . 1 1 5 DC N3 N -0.233 2.611 12.413 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 5 DC N3 . . rr_1k2k 1
1 . 148 . 1 1 5 DC N4 N 0.791 0.873 13.470 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 5 DC N4 . . rr_1k2k 1
1 . 149 . 1 1 5 DC O2 O -1.234 4.334 11.389 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 5 DC O2 . . rr_1k2k 1
1 . 150 . 1 1 5 DC O3' O 0.408 9.342 12.809 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 5 DC O3' . . rr_1k2k 1
1 . 151 . 1 1 5 DC O4' O 2.091 6.561 11.758 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 5 DC O4' . . rr_1k2k 1
1 . 152 . 1 1 5 DC O5' O 4.656 7.722 13.009 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 5 DC O5' . . rr_1k2k 1
1 . 153 . 1 1 5 DC OP1 O 6.522 9.267 12.345 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 5 DC OP1 . . rr_1k2k 1
1 . 154 . 1 1 5 DC OP2 O 7.074 7.111 13.387 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 5 DC OP2 . . rr_1k2k 1
1 . 155 . 1 1 5 DC P P 6.167 7.836 12.470 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 5 DC P . . rr_1k2k 1
1 . 156 . 1 1 6 DG C1' C -4.067 7.867 15.360 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 6 DG C1' . . rr_1k2k 1
1 . 157 . 1 1 6 DG C2 C -3.198 3.670 14.816 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 6 DG C2 . . rr_1k2k 1
1 . 158 . 1 1 6 DG C2' C -4.434 9.118 16.196 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 6 DG C2' . . rr_1k2k 1
1 . 159 . 1 1 6 DG C3' C -4.624 10.173 15.086 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 6 DG C3' . . rr_1k2k 1
1 . 160 . 1 1 6 DG C4 C -2.749 5.733 15.604 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 6 DG C4 . . rr_1k2k 1
1 . 161 . 1 1 6 DG C4' C -3.987 9.604 13.801 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 6 DG C4' . . rr_1k2k 1
1 . 162 . 1 1 6 DG C5 C -1.515 5.385 16.092 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 6 DG C5 . . rr_1k2k 1
1 . 163 . 1 1 6 DG C5' C -2.706 10.311 13.354 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 6 DG C5' . . rr_1k2k 1
1 . 164 . 1 1 6 DG C6 C -1.056 4.042 15.920 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 6 DG C6 . . rr_1k2k 1
1 . 165 . 1 1 6 DG C8 C -1.764 7.462 16.513 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 6 DG C8 . . rr_1k2k 1
1 . 166 . 1 1 6 DG H1 H -1.781 2.228 15.268 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 6 DG H1 . . rr_1k2k 1
1 . 167 . 1 1 6 DG H1' H -4.959 7.236 15.200 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 6 DG H1' . . rr_1k2k 1
1 . 168 . 1 1 6 DG H2' H -3.802 9.415 17.068 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 6 DG H2' . . rr_1k2k 1
1 . 169 . 1 1 6 DG H2'' H -5.411 8.909 16.637 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 6 DG H2'' . . rr_1k2k 1
1 . 170 . 1 1 6 DG H21 H -3.752 1.818 14.149 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 6 DG H21 . . rr_1k2k 1
1 . 171 . 1 1 6 DG H22 H -4.870 3.128 13.833 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 6 DG H22 . . rr_1k2k 1
1 . 172 . 1 1 6 DG H3' H -4.143 11.120 15.347 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 6 DG H3' . . rr_1k2k 1
1 . 173 . 1 1 6 DG H4' H -4.671 9.642 12.933 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 6 DG H4' . . rr_1k2k 1
1 . 174 . 1 1 6 DG H5' H -2.433 9.911 12.376 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 6 DG H5' . . rr_1k2k 1
1 . 175 . 1 1 6 DG H5'' H -2.889 11.382 13.254 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 6 DG H5'' . . rr_1k2k 1
1 . 176 . 1 1 6 DG H8 H -1.537 8.468 16.861 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 6 DG H8 . . rr_1k2k 1
1 . 177 . 1 1 6 DG HO3' H -6.411 9.561 14.625 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 6 DG HO3' . . rr_1k2k 1
1 . 178 . 1 1 6 DG N1 N -1.993 3.226 15.301 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 6 DG N1 . . rr_1k2k 1
1 . 179 . 1 1 6 DG N2 N -4.000 2.797 14.218 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 6 DG N2 . . rr_1k2k 1
1 . 180 . 1 1 6 DG N3 N -3.628 4.927 14.950 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 6 DG N3 . . rr_1k2k 1
1 . 181 . 1 1 6 DG N7 N -0.902 6.492 16.673 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 6 DG N7 . . rr_1k2k 1
1 . 182 . 1 1 6 DG N9 N -2.932 7.067 15.888 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 6 DG N9 . . rr_1k2k 1
1 . 183 . 1 1 6 DG O3' O -6.002 10.394 14.872 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 6 DG O3' . . rr_1k2k 1
1 . 184 . 1 1 6 DG O4' O -3.675 8.254 14.056 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 6 DG O4' . . rr_1k2k 1
1 . 185 . 1 1 6 DG O5' O -1.643 10.077 14.256 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 6 DG O5' . . rr_1k2k 1
1 . 186 . 1 1 6 DG O6 O 0.024 3.555 16.247 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 6 DG O6 . . rr_1k2k 1
1 . 187 . 1 1 6 DG OP1 O -0.176 11.762 13.139 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 6 DG OP1 . . rr_1k2k 1
1 . 188 . 1 1 6 DG OP2 O 0.701 10.491 15.043 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 6 DG OP2 . . rr_1k2k 1
1 . 189 . 1 1 6 DG P P -0.148 10.455 13.832 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 6 DG P . . rr_1k2k 1
1 . 190 . 2 1 1 DC C1' C -3.898 -2.512 15.486 . . . 1.0 . . . . . . . . . . . . . . . . . B . . 7 DC C1' . . rr_1k2k 1
1 . 191 . 2 1 1 DC C2 C -2.620 -0.376 15.175 . . . 1.0 . . . . . . . . . . . . . . . . . B . . 7 DC C2 . . rr_1k2k 1
1 . 192 . 2 1 1 DC C2' C -3.533 -3.659 14.553 . . . 1.0 . . . . . . . . . . . . . . . . . B . . 7 DC C2' . . rr_1k2k 1
1 . 193 . 2 1 1 DC C3' C -4.678 -4.653 14.817 . . . 1.0 . . . . . . . . . . . . . . . . . B . . 7 DC C3' . . rr_1k2k 1
1 . 194 . 2 1 1 DC C4 C -0.656 -0.042 16.411 . . . 1.0 . . . . . . . . . . . . . . . . . B . . 7 DC C4 . . rr_1k2k 1
1 . 195 . 2 1 1 DC C4' C -4.908 -4.442 16.345 . . . 1.0 . . . . . . . . . . . . . . . . . B . . 7 DC C4' . . rr_1k2k 1
1 . 196 . 2 1 1 DC C5 C -0.741 -1.356 16.978 . . . 1.0 . . . . . . . . . . . . . . . . . B . . 7 DC C5 . . rr_1k2k 1
1 . 197 . 2 1 1 DC C5' C -4.193 -5.517 17.175 . . . 1.0 . . . . . . . . . . . . . . . . . B . . 7 DC C5' . . rr_1k2k 1
1 . 198 . 2 1 1 DC C6 C -1.815 -2.094 16.615 . . . 1.0 . . . . . . . . . . . . . . . . . B . . 7 DC C6 . . rr_1k2k 1
1 . 199 . 2 1 1 DC H1' H -4.675 -1.893 15.106 . . . 1.0 . . . . . . . . . . . . . . . . . B . . 7 DC H1' . . rr_1k2k 1
1 . 200 . 2 1 1 DC H2' H -2.553 -4.050 14.843 . . . 1.0 . . . . . . . . . . . . . . . . . B . . 7 DC H2' . . rr_1k2k 1
1 . 201 . 2 1 1 DC H2'' H -3.437 -3.346 13.522 . . . 1.0 . . . . . . . . . . . . . . . . . B . . 7 DC H2'' . . rr_1k2k 1
1 . 202 . 2 1 1 DC H3' H -4.399 -5.676 14.491 . . . 1.0 . . . . . . . . . . . . . . . . . B . . 7 DC H3' . . rr_1k2k 1
1 . 203 . 2 1 1 DC H4' H -5.965 -4.451 16.703 . . . 1.0 . . . . . . . . . . . . . . . . . B . . 7 DC H4' . . rr_1k2k 1
1 . 204 . 2 1 1 DC H41 H 0.300 1.740 16.485 . . . 1.0 . . . . . . . . . . . . . . . . . B . . 7 DC H41 . . rr_1k2k 1
1 . 205 . 2 1 1 DC H42 H 1.022 0.464 17.439 . . . 1.0 . . . . . . . . . . . . . . . . . B . . 7 DC H42 . . rr_1k2k 1
1 . 206 . 2 1 1 DC H5 H -0.024 -1.762 17.676 . . . 1.0 . . . . . . . . . . . . . . . . . B . . 7 DC H5 . . rr_1k2k 1
1 . 207 . 2 1 1 DC H5' H -4.292 -5.280 18.235 . . . 1.0 . . . . . . . . . . . . . . . . . B . . 7 DC H5' . . rr_1k2k 1
1 . 208 . 2 1 1 DC H5'' H -4.664 -6.482 16.986 . . . 1.0 . . . . . . . . . . . . . . . . . B . . 7 DC H5'' . . rr_1k2k 1
1 . 209 . 2 1 1 DC H6 H -2.061 -3.081 16.951 . . . 1.0 . . . . . . . . . . . . . . . . . B . . 7 DC H6 . . rr_1k2k 1
1 . 210 . 2 1 1 DC HO5' H -2.428 -6.299 17.396 . . . 1.0 . . . . . . . . . . . . . . . . . B . . 7 DC HO5' . . rr_1k2k 1
1 . 211 . 2 1 1 DC N1 N -2.742 -1.634 15.755 . . . 1.0 . . . . . . . . . . . . . . . . . B . . 7 DC N1 . . rr_1k2k 1
1 . 212 . 2 1 1 DC N3 N -1.575 0.420 15.551 . . . 1.0 . . . . . . . . . . . . . . . . . B . . 7 DC N3 . . rr_1k2k 1
1 . 213 . 2 1 1 DC N4 N 0.329 0.771 16.778 . . . 1.0 . . . . . . . . . . . . . . . . . B . . 7 DC N4 . . rr_1k2k 1
1 . 214 . 2 1 1 DC O2 O -3.435 0.034 14.352 . . . 1.0 . . . . . . . . . . . . . . . . . B . . 7 DC O2 . . rr_1k2k 1
1 . 215 . 2 1 1 DC O3' O -5.909 -4.290 14.215 . . . 1.0 . . . . . . . . . . . . . . . . . B . . 7 DC O3' . . rr_1k2k 1
1 . 216 . 2 1 1 DC O4' O -4.389 -3.152 16.662 . . . 1.0 . . . . . . . . . . . . . . . . . B . . 7 DC O4' . . rr_1k2k 1
1 . 217 . 2 1 1 DC O5' O -2.823 -5.614 16.852 . . . 1.0 . . . . . . . . . . . . . . . . . B . . 7 DC O5' . . rr_1k2k 1
1 . 218 . 2 1 2 DG C1' C -7.004 -1.102 10.670 . . . 1.0 . . . . . . . . . . . . . . . . . B . . 8 DG C1' . . rr_1k2k 1
1 . 219 . 2 1 2 DG C2 C -3.678 1.735 11.128 . . . 1.0 . . . . . . . . . . . . . . . . . B . . 8 DG C2 . . rr_1k2k 1
1 . 220 . 2 1 2 DG C2' C -7.631 -2.063 9.664 . . . 1.0 . . . . . . . . . . . . . . . . . B . . 8 DG C2' . . rr_1k2k 1
1 . 221 . 2 1 2 DG C3' C -9.008 -2.345 10.273 . . . 1.0 . . . . . . . . . . . . . . . . . B . . 8 DG C3' . . rr_1k2k 1
1 . 222 . 2 1 2 DG C4 C -4.592 -0.316 10.971 . . . 1.0 . . . . . . . . . . . . . . . . . B . . 8 DG C4 . . rr_1k2k 1
1 . 223 . 2 1 2 DG C4' C -8.777 -2.108 11.783 . . . 1.0 . . . . . . . . . . . . . . . . . B . . 8 DG C4' . . rr_1k2k 1
1 . 224 . 2 1 2 DG C5 C -3.411 -0.959 11.252 . . . 1.0 . . . . . . . . . . . . . . . . . B . . 8 DG C5 . . rr_1k2k 1
1 . 225 . 2 1 2 DG C5' C -8.525 -3.412 12.550 . . . 1.0 . . . . . . . . . . . . . . . . . B . . 8 DG C5' . . rr_1k2k 1
1 . 226 . 2 1 2 DG C6 C -2.263 -0.192 11.603 . . . 1.0 . . . . . . . . . . . . . . . . . B . . 8 DG C6 . . rr_1k2k 1
1 . 227 . 2 1 2 DG C8 C -4.824 -2.484 10.845 . . . 1.0 . . . . . . . . . . . . . . . . . B . . 8 DG C8 . . rr_1k2k 1
1 . 228 . 2 1 2 DG H1 H -1.677 1.756 11.708 . . . 1.0 . . . . . . . . . . . . . . . . . B . . 8 DG H1 . . rr_1k2k 1
1 . 229 . 2 1 2 DG H1' H -7.327 -0.086 10.417 . . . 1.0 . . . . . . . . . . . . . . . . . B . . 8 DG H1' . . rr_1k2k 1
1 . 230 . 2 1 2 DG H2' H -7.047 -2.935 9.433 . . . 1.0 . . . . . . . . . . . . . . . . . B . . 8 DG H2' . . rr_1k2k 1
1 . 231 . 2 1 2 DG H2'' H -7.658 -1.634 8.691 . . . 1.0 . . . . . . . . . . . . . . . . . B . . 8 DG H2'' . . rr_1k2k 1
1 . 232 . 2 1 2 DG H21 H -2.899 3.616 11.107 . . . 1.0 . . . . . . . . . . . . . . . . . B . . 8 DG H21 . . rr_1k2k 1
1 . 233 . 2 1 2 DG H22 H -4.599 3.475 10.693 . . . 1.0 . . . . . . . . . . . . . . . . . B . . 8 DG H22 . . rr_1k2k 1
1 . 234 . 2 1 2 DG H3' H -9.364 -3.366 10.064 . . . 1.0 . . . . . . . . . . . . . . . . . B . . 8 DG H3' . . rr_1k2k 1
1 . 235 . 2 1 2 DG H4' H -9.579 -1.518 12.258 . . . 1.0 . . . . . . . . . . . . . . . . . B . . 8 DG H4' . . rr_1k2k 1
1 . 236 . 2 1 2 DG H5' H -8.414 -3.166 13.608 . . . 1.0 . . . . . . . . . . . . . . . . . B . . 8 DG H5' . . rr_1k2k 1
1 . 237 . 2 1 2 DG H5'' H -9.361 -4.101 12.431 . . . 1.0 . . . . . . . . . . . . . . . . . B . . 8 DG H5'' . . rr_1k2k 1
1 . 238 . 2 1 2 DG H8 H -5.237 -3.472 10.672 . . . 1.0 . . . . . . . . . . . . . . . . . B . . 8 DG H8 . . rr_1k2k 1
1 . 239 . 2 1 2 DG N1 N -2.474 1.169 11.467 . . . 1.0 . . . . . . . . . . . . . . . . . B . . 8 DG N1 . . rr_1k2k 1
1 . 240 . 2 1 2 DG N2 N -3.735 3.054 10.992 . . . 1.0 . . . . . . . . . . . . . . . . . B . . 8 DG N2 . . rr_1k2k 1
1 . 241 . 2 1 2 DG N3 N -4.788 1.028 10.897 . . . 1.0 . . . . . . . . . . . . . . . . . B . . 8 DG N3 . . rr_1k2k 1
1 . 242 . 2 1 2 DG N7 N -3.562 -2.333 11.129 . . . 1.0 . . . . . . . . . . . . . . . . . B . . 8 DG N7 . . rr_1k2k 1
1 . 243 . 2 1 2 DG N9 N -5.534 -1.302 10.777 . . . 1.0 . . . . . . . . . . . . . . . . . B . . 8 DG N9 . . rr_1k2k 1
1 . 244 . 2 1 2 DG O3' O -9.971 -1.405 9.824 . . . 1.0 . . . . . . . . . . . . . . . . . B . . 8 DG O3' . . rr_1k2k 1
1 . 245 . 2 1 2 DG O4' O -7.591 -1.348 11.930 . . . 1.0 . . . . . . . . . . . . . . . . . B . . 8 DG O4' . . rr_1k2k 1
1 . 246 . 2 1 2 DG O5' O -7.329 -3.997 12.065 . . . 1.0 . . . . . . . . . . . . . . . . . B . . 8 DG O5' . . rr_1k2k 1
1 . 247 . 2 1 2 DG O6 O -1.176 -0.597 12.010 . . . 1.0 . . . . . . . . . . . . . . . . . B . . 8 DG O6 . . rr_1k2k 1
1 . 248 . 2 1 2 DG OP1 O -7.403 -6.132 13.364 . . . 1.0 . . . . . . . . . . . . . . . . . B . . 8 DG OP1 . . rr_1k2k 1
1 . 249 . 2 1 2 DG OP2 O -5.385 -5.559 12.093 . . . 1.0 . . . . . . . . . . . . . . . . . B . . 8 DG OP2 . . rr_1k2k 1
1 . 250 . 2 1 2 DG P P -6.495 -5.051 12.926 . . . 1.0 . . . . . . . . . . . . . . . . . B . . 8 DG P . . rr_1k2k 1
1 . 251 . 2 1 3 DT C1' C -5.700 1.876 7.390 . . . 1.0 . . . . . . . . . . . . . . . . . B . . 9 DT C1' . . rr_1k2k 1
1 . 252 . 2 1 3 DT C2 C -3.254 1.556 7.702 . . . 1.0 . . . . . . . . . . . . . . . . . B . . 9 DT C2 . . rr_1k2k 1
1 . 253 . 2 1 3 DT C2' C -6.463 1.738 6.052 . . . 1.0 . . . . . . . . . . . . . . . . . B . . 9 DT C2' . . rr_1k2k 1
1 . 254 . 2 1 3 DT C3' C -7.792 2.359 6.505 . . . 1.0 . . . . . . . . . . . . . . . . . B . . 9 DT C3' . . rr_1k2k 1
1 . 255 . 2 1 3 DT C4 C -2.379 -0.719 8.030 . . . 1.0 . . . . . . . . . . . . . . . . . B . . 9 DT C4 . . rr_1k2k 1
1 . 256 . 2 1 3 DT C4' C -7.911 1.889 7.972 . . . 1.0 . . . . . . . . . . . . . . . . . B . . 9 DT C4' . . rr_1k2k 1
1 . 257 . 2 1 3 DT C5 C -3.715 -1.210 7.734 . . . 1.0 . . . . . . . . . . . . . . . . . B . . 9 DT C5 . . rr_1k2k 1
1 . 258 . 2 1 3 DT C5' C -9.156 1.070 8.334 . . . 1.0 . . . . . . . . . . . . . . . . . B . . 9 DT C5' . . rr_1k2k 1
1 . 259 . 2 1 3 DT C6 C -4.720 -0.334 7.490 . . . 1.0 . . . . . . . . . . . . . . . . . B . . 9 DT C6 . . rr_1k2k 1
1 . 260 . 2 1 3 DT C7 C -3.979 -2.703 7.684 . . . 1.0 . . . . . . . . . . . . . . . . . B . . 9 DT C7 . . rr_1k2k 1
1 . 261 . 2 1 3 DT H1' H -5.443 2.930 7.623 . . . 1.0 . . . . . . . . . . . . . . . . . B . . 9 DT H1' . . rr_1k2k 1
1 . 262 . 2 1 3 DT H2' H -6.651 0.691 5.713 . . . 1.0 . . . . . . . . . . . . . . . . . B . . 9 DT H2' . . rr_1k2k 1
1 . 263 . 2 1 3 DT H2'' H -5.960 2.254 5.224 . . . 1.0 . . . . . . . . . . . . . . . . . B . . 9 DT H2'' . . rr_1k2k 1
1 . 264 . 2 1 3 DT H3 H -1.358 1.055 8.273 . . . 1.0 . . . . . . . . . . . . . . . . . B . . 9 DT H3 . . rr_1k2k 1
1 . 265 . 2 1 3 DT H3' H -8.629 1.992 5.909 . . . 1.0 . . . . . . . . . . . . . . . . . B . . 9 DT H3' . . rr_1k2k 1
1 . 266 . 2 1 3 DT H4' H -7.985 2.675 8.717 . . . 1.0 . . . . . . . . . . . . . . . . . B . . 9 DT H4' . . rr_1k2k 1
1 . 267 . 2 1 3 DT H5' H -9.143 0.941 9.417 . . . 1.0 . . . . . . . . . . . . . . . . . B . . 9 DT H5' . . rr_1k2k 1
1 . 268 . 2 1 3 DT H5'' H -10.037 1.663 8.085 . . . 1.0 . . . . . . . . . . . . . . . . . B . . 9 DT H5'' . . rr_1k2k 1
1 . 269 . 2 1 3 DT H6 H -5.756 -0.607 7.363 . . . 1.0 . . . . . . . . . . . . . . . . . B . . 9 DT H6 . . rr_1k2k 1
1 . 270 . 2 1 3 DT H71 H -5.031 -2.924 7.864 . . . 1.0 . . . . . . . . . . . . . . . . . B . . 9 DT H71 . . rr_1k2k 1
1 . 271 . 2 1 3 DT H72 H -3.694 -3.081 6.702 . . . 1.0 . . . . . . . . . . . . . . . . . B . . 9 DT H72 . . rr_1k2k 1
1 . 272 . 2 1 3 DT H73 H -3.374 -3.206 8.440 . . . 1.0 . . . . . . . . . . . . . . . . . B . . 9 DT H73 . . rr_1k2k 1
1 . 273 . 2 1 3 DT N1 N -4.512 1.010 7.473 . . . 1.0 . . . . . . . . . . . . . . . . . B . . 9 DT N1 . . rr_1k2k 1
1 . 274 . 2 1 3 DT N3 N -2.250 0.655 7.989 . . . 1.0 . . . . . . . . . . . . . . . . . B . . 9 DT N3 . . rr_1k2k 1
1 . 275 . 2 1 3 DT O2 O -3.015 2.759 7.658 . . . 1.0 . . . . . . . . . . . . . . . . . B . . 9 DT O2 . . rr_1k2k 1
1 . 276 . 2 1 3 DT O3' O -7.735 3.775 6.490 . . . 1.0 . . . . . . . . . . . . . . . . . B . . 9 DT O3' . . rr_1k2k 1
1 . 277 . 2 1 3 DT O4 O -1.416 -1.408 8.348 . . . 1.0 . . . . . . . . . . . . . . . . . B . . 9 DT O4 . . rr_1k2k 1
1 . 278 . 2 1 3 DT O4' O -6.644 1.403 8.347 . . . 1.0 . . . . . . . . . . . . . . . . . B . . 9 DT O4' . . rr_1k2k 1
1 . 279 . 2 1 3 DT O5' O -9.279 -0.189 7.705 . . . 1.0 . . . . . . . . . . . . . . . . . B . . 9 DT O5' . . rr_1k2k 1
1 . 280 . 2 1 3 DT OP1 O -11.715 -0.639 8.165 . . . 1.0 . . . . . . . . . . . . . . . . . B . . 9 DT OP1 . . rr_1k2k 1
1 . 281 . 2 1 3 DT OP2 O -10.246 -2.526 7.569 . . . 1.0 . . . . . . . . . . . . . . . . . B . . 9 DT OP2 . . rr_1k2k 1
1 . 282 . 2 1 3 DT P P -10.364 -1.231 8.274 . . . 1.0 . . . . . . . . . . . . . . . . . B . . 9 DT P . . rr_1k2k 1
1 . 283 . 2 1 4 DA C1' C -2.893 5.729 4.859 . . . 1.0 . . . . . . . . . . . . . . . . . B . . 10 DA C1' . . rr_1k2k 1
1 . 284 . 2 1 4 DA C2 C 0.518 3.159 5.920 . . . 1.0 . . . . . . . . . . . . . . . . . B . . 10 DA C2 . . rr_1k2k 1
1 . 285 . 2 1 4 DA C2' C -3.461 6.403 3.608 . . . 1.0 . . . . . . . . . . . . . . . . . B . . 10 DA C2' . . rr_1k2k 1
1 . 286 . 2 1 4 DA C3' C -4.466 7.437 4.130 . . . 1.0 . . . . . . . . . . . . . . . . . B . . 10 DA C3' . . rr_1k2k 1
1 . 287 . 2 1 4 DA C4 C -1.461 3.615 5.034 . . . 1.0 . . . . . . . . . . . . . . . . . B . . 10 DA C4 . . rr_1k2k 1
1 . 288 . 2 1 4 DA C4' C -4.725 6.987 5.584 . . . 1.0 . . . . . . . . . . . . . . . . . B . . 10 DA C4' . . rr_1k2k 1
1 . 289 . 2 1 4 DA C5 C -1.695 2.301 4.725 . . . 1.0 . . . . . . . . . . . . . . . . . B . . 10 DA C5 . . rr_1k2k 1
1 . 290 . 2 1 4 DA C5' C -6.169 6.519 5.801 . . . 1.0 . . . . . . . . . . . . . . . . . B . . 10 DA C5' . . rr_1k2k 1
1 . 291 . 2 1 4 DA C6 C -0.721 1.386 5.153 . . . 1.0 . . . . . . . . . . . . . . . . . B . . 10 DA C6 . . rr_1k2k 1
1 . 292 . 2 1 4 DA C8 C -3.311 3.381 3.923 . . . 1.0 . . . . . . . . . . . . . . . . . B . . 10 DA C8 . . rr_1k2k 1
1 . 293 . 2 1 4 DA H1' H -1.998 6.242 5.207 . . . 1.0 . . . . . . . . . . . . . . . . . B . . 10 DA H1' . . rr_1k2k 1
1 . 294 . 2 1 4 DA H2 H 1.430 3.500 6.378 . . . 1.0 . . . . . . . . . . . . . . . . . B . . 10 DA H2 . . rr_1k2k 1
1 . 295 . 2 1 4 DA H2' H -3.816 5.748 2.815 . . . 1.0 . . . . . . . . . . . . . . . . . B . . 10 DA H2' . . rr_1k2k 1
1 . 296 . 2 1 4 DA H2'' H -2.652 6.894 3.131 . . . 1.0 . . . . . . . . . . . . . . . . . B . . 10 DA H2'' . . rr_1k2k 1
1 . 297 . 2 1 4 DA H3' H -5.406 7.429 3.576 . . . 1.0 . . . . . . . . . . . . . . . . . B . . 10 DA H3' . . rr_1k2k 1
1 . 298 . 2 1 4 DA H4' H -4.538 7.806 6.300 . . . 1.0 . . . . . . . . . . . . . . . . . B . . 10 DA H4' . . rr_1k2k 1
1 . 299 . 2 1 4 DA H5' H -6.279 6.221 6.845 . . . 1.0 . . . . . . . . . . . . . . . . . B . . 10 DA H5' . . rr_1k2k 1
1 . 300 . 2 1 4 DA H5'' H -6.852 7.345 5.597 . . . 1.0 . . . . . . . . . . . . . . . . . B . . 10 DA H5'' . . rr_1k2k 1
1 . 301 . 2 1 4 DA H61 H -0.204 -0.583 5.360 . . . 1.0 . . . . . . . . . . . . . . . . . B . . 10 DA H61 . . rr_1k2k 1
1 . 302 . 2 1 4 DA H62 H -1.679 -0.245 4.468 . . . 1.0 . . . . . . . . . . . . . . . . . B . . 10 DA H62 . . rr_1k2k 1
1 . 303 . 2 1 4 DA H8 H -4.177 3.669 3.360 . . . 1.0 . . . . . . . . . . . . . . . . . B . . 10 DA H8 . . rr_1k2k 1
1 . 304 . 2 1 4 DA N1 N 0.389 1.845 5.751 . . . 1.0 . . . . . . . . . . . . . . . . . B . . 10 DA N1 . . rr_1k2k 1
1 . 305 . 2 1 4 DA N3 N -0.346 4.120 5.618 . . . 1.0 . . . . . . . . . . . . . . . . . B . . 10 DA N3 . . rr_1k2k 1
1 . 306 . 2 1 4 DA N6 N -0.876 0.075 4.986 . . . 1.0 . . . . . . . . . . . . . . . . . B . . 10 DA N6 . . rr_1k2k 1
1 . 307 . 2 1 4 DA N7 N -2.865 2.158 3.991 . . . 1.0 . . . . . . . . . . . . . . . . . B . . 10 DA N7 . . rr_1k2k 1
1 . 308 . 2 1 4 DA N9 N -2.572 4.306 4.609 . . . 1.0 . . . . . . . . . . . . . . . . . B . . 10 DA N9 . . rr_1k2k 1
1 . 309 . 2 1 4 DA O3' O -3.946 8.755 4.028 . . . 1.0 . . . . . . . . . . . . . . . . . B . . 10 DA O3' . . rr_1k2k 1
1 . 310 . 2 1 4 DA O4' O -3.871 5.883 5.870 . . . 1.0 . . . . . . . . . . . . . . . . . B . . 10 DA O4' . . rr_1k2k 1
1 . 311 . 2 1 4 DA O5' O -6.479 5.420 4.962 . . . 1.0 . . . . . . . . . . . . . . . . . B . . 10 DA O5' . . rr_1k2k 1
1 . 312 . 2 1 4 DA OP1 O -8.962 5.606 5.265 . . . 1.0 . . . . . . . . . . . . . . . . . B . . 10 DA OP1 . . rr_1k2k 1
1 . 313 . 2 1 4 DA OP2 O -8.041 3.722 3.982 . . . 1.0 . . . . . . . . . . . . . . . . . B . . 10 DA OP2 . . rr_1k2k 1
1 . 314 . 2 1 4 DA P P -7.859 4.629 5.137 . . . 1.0 . . . . . . . . . . . . . . . . . B . . 10 DA P . . rr_1k2k 1
1 . 315 . 2 1 5 DC C1' C 0.997 6.283 2.940 . . . 1.0 . . . . . . . . . . . . . . . . . B . . 11 DC C1' . . rr_1k2k 1
1 . 316 . 2 1 5 DC C2 C 1.330 3.831 2.877 . . . 1.0 . . . . . . . . . . . . . . . . . B . . 11 DC C2 . . rr_1k2k 1
1 . 317 . 2 1 5 DC C2' C 1.662 6.893 1.697 . . . 1.0 . . . . . . . . . . . . . . . . . B . . 11 DC C2' . . rr_1k2k 1
1 . 318 . 2 1 5 DC C3' C 1.237 8.379 1.789 . . . 1.0 . . . . . . . . . . . . . . . . . B . . 11 DC C3' . . rr_1k2k 1
1 . 319 . 2 1 5 DC C4 C -0.155 2.497 1.659 . . . 1.0 . . . . . . . . . . . . . . . . . B . . 11 DC C4 . . rr_1k2k 1
1 . 320 . 2 1 5 DC C4' C 0.036 8.328 2.741 . . . 1.0 . . . . . . . . . . . . . . . . . B . . 11 DC C4' . . rr_1k2k 1
1 . 321 . 2 1 5 DC C5 C -0.907 3.641 1.238 . . . 1.0 . . . . . . . . . . . . . . . . . B . . 11 DC C5 . . rr_1k2k 1
1 . 322 . 2 1 5 DC C5' C -1.096 9.368 2.659 . . . 1.0 . . . . . . . . . . . . . . . . . B . . 11 DC C5' . . rr_1k2k 1
1 . 323 . 2 1 5 DC C6 C -0.529 4.837 1.749 . . . 1.0 . . . . . . . . . . . . . . . . . B . . 11 DC C6 . . rr_1k2k 1
1 . 324 . 2 1 5 DC H1' H 1.673 6.312 3.797 . . . 1.0 . . . . . . . . . . . . . . . . . B . . 11 DC H1' . . rr_1k2k 1
1 . 325 . 2 1 5 DC H2' H 1.219 6.505 0.780 . . . 1.0 . . . . . . . . . . . . . . . . . B . . 11 DC H2' . . rr_1k2k 1
1 . 326 . 2 1 5 DC H2'' H 2.737 6.597 1.714 . . . 1.0 . . . . . . . . . . . . . . . . . B . . 11 DC H2'' . . rr_1k2k 1
1 . 327 . 2 1 5 DC H3' H 0.785 8.762 0.869 . . . 1.0 . . . . . . . . . . . . . . . . . B . . 11 DC H3' . . rr_1k2k 1
1 . 328 . 2 1 5 DC H4' H 0.417 8.622 3.678 . . . 1.0 . . . . . . . . . . . . . . . . . B . . 11 DC H4' . . rr_1k2k 1
1 . 329 . 2 1 5 DC H41 H -0.033 0.493 1.712 . . . 1.0 . . . . . . . . . . . . . . . . . B . . 11 DC H41 . . rr_1k2k 1
1 . 330 . 2 1 5 DC H42 H -1.364 1.132 0.756 . . . 1.0 . . . . . . . . . . . . . . . . . B . . 11 DC H42 . . rr_1k2k 1
1 . 331 . 2 1 5 DC H5 H -1.685 3.588 0.495 . . . 1.0 . . . . . . . . . . . . . . . . . B . . 11 DC H5 . . rr_1k2k 1
1 . 332 . 2 1 5 DC H5' H -1.334 9.657 3.686 . . . 1.0 . . . . . . . . . . . . . . . . . B . . 11 DC H5' . . rr_1k2k 1
1 . 333 . 2 1 5 DC H5'' H -0.736 10.261 2.146 . . . 1.0 . . . . . . . . . . . . . . . . . B . . 11 DC H5'' . . rr_1k2k 1
1 . 334 . 2 1 5 DC H6 H -1.009 5.794 1.538 . . . 1.0 . . . . . . . . . . . . . . . . . B . . 11 DC H6 . . rr_1k2k 1
1 . 335 . 2 1 5 DC N1 N 0.546 4.933 2.579 . . . 1.0 . . . . . . . . . . . . . . . . . B . . 11 DC N1 . . rr_1k2k 1
1 . 336 . 2 1 5 DC N3 N 0.924 2.609 2.440 . . . 1.0 . . . . . . . . . . . . . . . . . B . . 11 DC N3 . . rr_1k2k 1
1 . 337 . 2 1 5 DC N4 N -0.549 1.276 1.328 . . . 1.0 . . . . . . . . . . . . . . . . . B . . 11 DC N4 . . rr_1k2k 1
1 . 338 . 2 1 5 DC O2 O 2.372 3.936 3.518 . . . 1.0 . . . . . . . . . . . . . . . . . B . . 11 DC O2 . . rr_1k2k 1
1 . 339 . 2 1 5 DC O3' O 2.250 9.248 2.268 . . . 1.0 . . . . . . . . . . . . . . . . . B . . 11 DC O3' . . rr_1k2k 1
1 . 340 . 2 1 5 DC O4' O -0.168 7.037 3.238 . . . 1.0 . . . . . . . . . . . . . . . . . B . . 11 DC O4' . . rr_1k2k 1
1 . 341 . 2 1 5 DC O5' O -2.285 8.926 2.038 . . . 1.0 . . . . . . . . . . . . . . . . . B . . 11 DC O5' . . rr_1k2k 1
1 . 342 . 2 1 5 DC OP1 O -3.630 10.920 2.763 . . . 1.0 . . . . . . . . . . . . . . . . . B . . 11 DC OP1 . . rr_1k2k 1
1 . 343 . 2 1 5 DC OP2 O -4.775 9.049 1.654 . . . 1.0 . . . . . . . . . . . . . . . . . B . . 11 DC OP2 . . rr_1k2k 1
1 . 344 . 2 1 5 DC P P -3.702 9.452 2.589 . . . 1.0 . . . . . . . . . . . . . . . . . B . . 11 DC P . . rr_1k2k 1
1 . 345 . 2 1 6 DG C1' C 6.121 6.596 -0.345 . . . 1.0 . . . . . . . . . . . . . . . . . B . . 12 DG C1' . . rr_1k2k 1
1 . 346 . 2 1 6 DG C2 C 4.074 2.813 0.061 . . . 1.0 . . . . . . . . . . . . . . . . . B . . 12 DG C2 . . rr_1k2k 1
1 . 347 . 2 1 6 DG C2' C 6.842 7.712 -1.141 . . . 1.0 . . . . . . . . . . . . . . . . . B . . 12 DG C2' . . rr_1k2k 1
1 . 348 . 2 1 6 DG C3' C 7.319 8.633 0.001 . . . 1.0 . . . . . . . . . . . . . . . . . B . . 12 DG C3' . . rr_1k2k 1
1 . 349 . 2 1 6 DG C4 C 4.246 4.941 -0.658 . . . 1.0 . . . . . . . . . . . . . . . . . B . . 12 DG C4 . . rr_1k2k 1
1 . 350 . 2 1 6 DG C4' C 6.534 8.235 1.268 . . . 1.0 . . . . . . . . . . . . . . . . . B . . 12 DG C4' . . rr_1k2k 1
1 . 351 . 2 1 6 DG C5 C 2.968 4.981 -1.154 . . . 1.0 . . . . . . . . . . . . . . . . . B . . 12 DG C5 . . rr_1k2k 1
1 . 352 . 2 1 6 DG C5' C 5.514 9.273 1.740 . . . 1.0 . . . . . . . . . . . . . . . . . B . . 12 DG C5' . . rr_1k2k 1
1 . 353 . 2 1 6 DG C6 C 2.139 3.823 -1.024 . . . 1.0 . . . . . . . . . . . . . . . . . B . . 12 DG C6 . . rr_1k2k 1
1 . 354 . 2 1 6 DG C8 C 3.810 6.908 -1.511 . . . 1.0 . . . . . . . . . . . . . . . . . B . . 12 DG C8 . . rr_1k2k 1
1 . 355 . 2 1 6 DG H1 H 2.303 1.858 -0.434 . . . 1.0 . . . . . . . . . . . . . . . . . B . . 12 DG H1 . . rr_1k2k 1
1 . 356 . 2 1 6 DG H1' H 6.790 5.730 -0.203 . . . 1.0 . . . . . . . . . . . . . . . . . B . . 12 DG H1' . . rr_1k2k 1
1 . 357 . 2 1 6 DG H2' H 6.332 8.204 -2.004 . . . 1.0 . . . . . . . . . . . . . . . . . B . . 12 DG H2' . . rr_1k2k 1
1 . 358 . 2 1 6 DG H2'' H 7.721 7.241 -1.587 . . . 1.0 . . . . . . . . . . . . . . . . . B . . 12 DG H2'' . . rr_1k2k 1
1 . 359 . 2 1 6 DG H21 H 4.068 0.858 0.660 . . . 1.0 . . . . . . . . . . . . . . . . . B . . 12 DG H21 . . rr_1k2k 1
1 . 360 . 2 1 6 DG H22 H 5.513 1.778 1.019 . . . 1.0 . . . . . . . . . . . . . . . . . B . . 12 DG H22 . . rr_1k2k 1
1 . 361 . 2 1 6 DG H3' H 7.133 9.686 -0.230 . . . 1.0 . . . . . . . . . . . . . . . . . B . . 12 DG H3' . . rr_1k2k 1
1 . 362 . 2 1 6 DG H4' H 7.191 8.045 2.136 . . . 1.0 . . . . . . . . . . . . . . . . . B . . 12 DG H4' . . rr_1k2k 1
1 . 363 . 2 1 6 DG H5' H 5.129 8.940 2.706 . . . 1.0 . . . . . . . . . . . . . . . . . B . . 12 DG H5' . . rr_1k2k 1
1 . 364 . 2 1 6 DG H5'' H 6.002 10.239 1.874 . . . 1.0 . . . . . . . . . . . . . . . . . B . . 12 DG H5'' . . rr_1k2k 1
1 . 365 . 2 1 6 DG H8 H 3.887 7.947 -1.829 . . . 1.0 . . . . . . . . . . . . . . . . . B . . 12 DG H8 . . rr_1k2k 1
1 . 366 . 2 1 6 DG HO3' H 8.978 9.007 0.943 . . . 1.0 . . . . . . . . . . . . . . . . . B . . 12 DG HO3' . . rr_1k2k 1
1 . 367 . 2 1 6 DG N1 N 2.796 2.752 -0.436 . . . 1.0 . . . . . . . . . . . . . . . . . B . . 12 DG N1 . . rr_1k2k 1
1 . 368 . 2 1 6 DG N2 N 4.587 1.726 0.625 . . . 1.0 . . . . . . . . . . . . . . . . . B . . 12 DG N2 . . rr_1k2k 1
1 . 369 . 2 1 6 DG N3 N 4.849 3.895 -0.032 . . . 1.0 . . . . . . . . . . . . . . . . . B . . 12 DG N3 . . rr_1k2k 1
1 . 370 . 2 1 6 DG N7 N 2.706 6.235 -1.699 . . . 1.0 . . . . . . . . . . . . . . . . . B . . 12 DG N7 . . rr_1k2k 1
1 . 371 . 2 1 6 DG N9 N 4.808 6.174 -0.899 . . . 1.0 . . . . . . . . . . . . . . . . . B . . 12 DG N9 . . rr_1k2k 1
1 . 372 . 2 1 6 DG O3' O 8.701 8.440 0.219 . . . 1.0 . . . . . . . . . . . . . . . . . B . . 12 DG O3' . . rr_1k2k 1
1 . 373 . 2 1 6 DG O4' O 5.841 7.045 0.969 . . . 1.0 . . . . . . . . . . . . . . . . . B . . 12 DG O4' . . rr_1k2k 1
1 . 374 . 2 1 6 DG O5' O 4.434 9.390 0.835 . . . 1.0 . . . . . . . . . . . . . . . . . B . . 12 DG O5' . . rr_1k2k 1
1 . 375 . 2 1 6 DG O6 O 0.965 3.681 -1.362 . . . 1.0 . . . . . . . . . . . . . . . . . B . . 12 DG O6 . . rr_1k2k 1
1 . 376 . 2 1 6 DG OP1 O 3.520 11.398 2.006 . . . 1.0 . . . . . . . . . . . . . . . . . B . . 12 DG OP1 . . rr_1k2k 1
1 . 377 . 2 1 6 DG OP2 O 2.319 10.496 0.069 . . . 1.0 . . . . . . . . . . . . . . . . . B . . 12 DG OP2 . . rr_1k2k 1
1 . 378 . 2 1 6 DG P P 3.114 10.178 1.275 . . . 1.0 . . . . . . . . . . . . . . . . . B . . 12 DG P . . rr_1k2k 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_1k2k
_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 1k2k.mr . . "MR format" 1 comment "Not applicable" "Not applicable" 0 rr_1k2k 1
1 1k2k.mr . . AMBER 2 distance NOE simple 0 rr_1k2k 1
1 1k2k.mr . . AMBER 3 "dihedral angle" "Not applicable" "Not applicable" 0 rr_1k2k 1
1 1k2k.mr . . "MR format" 4 "nomenclature mapping" "Not applicable" "Not applicable" 0 rr_1k2k 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_1k2k
_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 DNA 28-SEP-01 1K2K *TITLE NMR MINIMIZED AVERAGE STRUCTURE OF D(CGTACG)2 *COMPND MOL_ID: 1; *COMPND 2 MOLECULE: 5'-D(*CP*GP*TP*AP*CP*G)-3'; *COMPND 3 CHAIN: A, B; *COMPND 4 ENGINEERED: YES *SOURCE MOL_ID: 1; *SOURCE 2 SYNTHETIC: YES; *SOURCE 3 OTHER_DETAILS: FROM SOLID-PHASE DNA SYNTHESIZER *KEYWDS SELF-COMPLEMENTARY DNA *EXPDTA NMR, MINIMIZED AVERAGE STRUCTURE *AUTHOR S.L.LAM, L.N.IP *REVDAT 1 10-APR-02 1K2K 0 "
save_
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