data_Remediated_restraints_file_for_PDB_entry_1q2t # This BMRB archive file contains, for PDB entry 1q2t: # # - 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 as part of the wwPDB 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, WF Vranken, C Schulte, J Lin, JR Wedell, CJ Penkett, GW Vuister, # G Vriend, JL Markley, and EL Ulrich (2009). The NMR Restraints Grid at BMRB for # 5,266 Protein and Nucleic Acid PDB Entries. J Biomol. NMR 45, 389-396. ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID rr_1q2t _Entry.Title 'wwPDB remediated NMR restraints for PDB entry 1q2t' _Entry.Version_type original _Entry.NMR_STAR_version 3.1.0.8 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype solution _Entry.Details 'Contains the remediated restraint lists and coordinates for PDB entry 1q2t' _Entry.PDB_coordinate_file_version 3.20 loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 1q2t 'Master copy' rr_1q2t stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID rr_1q2t _Assembly.ID 1 _Assembly.Name 1q2t _Assembly.Number_of_components 4 _Assembly.Organic_ligands 0 _Assembly.Metal_ions 0 _Assembly.Non_standard_bonds no _Assembly.Paramagnetic no _Assembly.Thiol_state 'not present' _Assembly.Molecular_mass 8009.36864 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 MCY P CP TP CP TP CP C 3' 1 $5__D___MCY_P_CP_TP_CP_TP_CP_C__3_ A . no . . . . . . rr_1q2t 1 2 '5 D MCY P CP TP CP TP CP C 3' 1 $5__D___MCY_P_CP_TP_CP_TP_CP_C__3_ B . no . . . . . . rr_1q2t 1 3 '5 D MCY P CP TP CP TP CP C 3' 1 $5__D___MCY_P_CP_TP_CP_TP_CP_C__3_ C . no . . . . . . rr_1q2t 1 4 '5 D MCY P CP TP CP TP CP C 3' 1 $5__D___MCY_P_CP_TP_CP_TP_CP_C__3_ D . no . . . . . . rr_1q2t 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_5__D___MCY_P_CP_TP_CP_TP_CP_C__3_ _Entity.Sf_category entity _Entity.Sf_framecode 5__D___MCY_P_CP_TP_CP_TP_CP_C__3_ _Entity.Entry_ID rr_1q2t _Entity.ID 1 _Entity.Name 5__D___MCY_P_CP_TP_CP_TP_CP_C__3_ _Entity.Type polymer _Entity.Polymer_type polydeoxyribonucleotide _Entity.Polymer_strand_ID A,B,C,D _Entity.Polymer_seq_one_letter_code XCTCTCC _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer yes _Entity.Nstd_chirality yes _Entity.Nstd_linkage yes _Entity.Number_of_monomers 7 _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Parent_entity_ID 1 _Entity.Formula_weight 2002.34216 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 . MCY . rr_1q2t 1 2 . DC . rr_1q2t 1 3 . DT . rr_1q2t 1 4 . DC . rr_1q2t 1 5 . DT . rr_1q2t 1 6 . DC . rr_1q2t 1 7 . DC . rr_1q2t 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 . MCY 1 1 rr_1q2t 1 . DC 2 2 rr_1q2t 1 . DT 3 3 rr_1q2t 1 . DC 4 4 rr_1q2t 1 . DT 5 5 rr_1q2t 1 . DC 6 6 rr_1q2t 1 . DC 7 7 rr_1q2t 1 stop_ save_ ################################# # Polymer residues and ligands # ################################# save_chem_comp_MCY _Chem_comp.Sf_category chem_comp _Chem_comp.Sf_framecode chem_comp_MCY _Chem_comp.Entry_ID rr_1q2t _Chem_comp.ID MCY _Chem_comp.Name 5-METHYL-2'-DEOXYCYTIDINE _Chem_comp.Type non-polymer _Chem_comp.PDB_code MCY _Chem_comp.Formal_charge 0 _Chem_comp.Paramagnetic no _Chem_comp.Aromatic no _Chem_comp.Formula 'C10 H15 N3 O4' _Chem_comp.Formula_weight 241.2462 save_ ############################## # Structure determinations # ############################## ########################## # Conformer statistics # ########################## save_conformer_statistics _Conformer_stat_list.Sf_category conformer_statistics _Conformer_stat_list.Sf_framecode conformer_statistics _Conformer_stat_list.Entry_ID rr_1q2t _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_ ##################################### # Conformer family coordinate set # ##################################### 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_1q2t _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_1q2t 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_1q2t 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 MCY C1' C 15.060 3.070 -3.648 . . . 1.0 . . . . . . . . . . . . A . 1 MCY C1' . . . . . . . . . rr_1q2t 1 . 1 . 2 . 1 1 1 MCY C2 C 15.020 1.416 -1.843 . . . 1.0 . . . . . . . . . . . . A . 1 MCY C2 . . . . . . . . . rr_1q2t 1 . 1 . 3 . 1 1 1 MCY C2' C 13.637 3.285 -4.126 . . . 1.0 . . . . . . . . . . . . A . 1 MCY C2' . . . . . . . . . rr_1q2t 1 . 1 . 4 . 1 1 1 MCY C3' C 13.539 4.716 -4.588 . . . 1.0 . . . . . . . . . . . . A . 1 MCY C3' . . . . . . . . . rr_1q2t 1 . 1 . 5 . 1 1 1 MCY C4 C 15.046 2.100 0.411 . . . 1.0 . . . . . . . . . . . . A . 1 MCY C4 . . . . . . . . . rr_1q2t 1 . 1 . 6 . 1 1 1 MCY C4' C 14.950 5.280 -4.508 . . . 1.0 . . . . . . . . . . . . A . 1 MCY C4' . . . . . . . . . rr_1q2t 1 . 1 . 7 . 1 1 1 MCY C5 C 15.099 3.398 0.041 . . . 1.0 . . . . . . . . . . . . A . 1 MCY C5 . . . . . . . . . rr_1q2t 1 . 1 . 8 . 1 1 1 MCY C5' C 14.973 6.572 -3.693 . . . 1.0 . . . . . . . . . . . . A . 1 MCY C5' . . . . . . . . . rr_1q2t 1 . 1 . 9 . 1 1 1 MCY C5A C 15.168 4.495 1.103 . . . 1.0 . . . . . . . . . . . . A . 1 MCY C5A . . . . . . . . . rr_1q2t 1 . 1 . 10 . 1 1 1 MCY C6 C 15.108 3.718 -1.263 . . . 1.0 . . . . . . . . . . . . A . 1 MCY C6 . . . . . . . . . rr_1q2t 1 . 1 . 11 . 1 1 1 MCY H1' H 15.506 2.246 -4.204 . . . 1.0 . . . . . . . . . . . . A . 1 MCY H1' . . . . . . . . . rr_1q2t 1 . 1 . 12 . 1 1 1 MCY H2' H 12.938 3.110 -3.308 . . . 1.0 . . . . . . . . . . . . A . 1 MCY H2' . . . . . . . . . rr_1q2t 1 . 1 . 13 . 1 1 1 MCY H2'' H 13.417 2.611 -4.953 . . . 1.0 . . . . . . . . . . . . A . 1 MCY H2'' . . . . . . . . . rr_1q2t 1 . 1 . 14 . 1 1 1 MCY H3' H 12.889 5.270 -3.907 . . . 1.0 . . . . . . . . . . . . A . 1 MCY H3' . . . . . . . . . rr_1q2t 1 . 1 . 15 . 1 1 1 MCY H4' H 15.305 5.490 -5.517 . . . 1.0 . . . . . . . . . . . . A . 1 MCY H4' . . . . . . . . . rr_1q2t 1 . 1 . 16 . 1 1 1 MCY H5' H 15.936 7.063 -3.834 . . . 1.0 . . . . . . . . . . . . A . 1 MCY H5' . . . . . . . . . rr_1q2t 1 . 1 . 17 . 1 1 1 MCY H5'' H 14.182 7.232 -4.050 . . . 1.0 . . . . . . . . . . . . A . 1 MCY H5'' . . . . . . . . . rr_1q2t 1 . 1 . 18 . 1 1 1 MCY H5A1 H 14.243 4.501 1.680 . . . 1.0 . . . . . . . . . . . . A . 1 MCY H5A1 . . . . . . . . . rr_1q2t 1 . 1 . 19 . 1 1 1 MCY H5A2 H 15.300 5.463 0.618 . . . 1.0 . . . . . . . . . . . . A . 1 MCY H5A2 . . . . . . . . . rr_1q2t 1 . 1 . 20 . 1 1 1 MCY H5A3 H 16.010 4.305 1.768 . . . 1.0 . . . . . . . . . . . . A . 1 MCY H5A3 . . . . . . . . . rr_1q2t 1 . 1 . 21 . 1 1 1 MCY H6 H 15.130 4.766 -1.568 . . . 1.0 . . . . . . . . . . . . A . 1 MCY H6 . . . . . . . . . rr_1q2t 1 . 1 . 22 . 1 1 1 MCY HN41 H 15.034 2.486 2.409 . . . 1.0 . . . . . . . . . . . . A . 1 MCY HN41 . . . . . . . . . rr_1q2t 1 . 1 . 23 . 1 1 1 MCY HN42 H 14.965 0.795 1.961 . . . 1.0 . . . . . . . . . . . . A . 1 MCY HN42 . . . . . . . . . rr_1q2t 1 . 1 . 24 . 1 1 1 MCY HO5' H 14.067 6.894 -2.002 . . . 1.0 . . . . . . . . . . . . A . 1 MCY HO5' . . . . . . . . . rr_1q2t 1 . 1 . 25 . 1 1 1 MCY N1 N 15.070 2.744 -2.208 . . . 1.0 . . . . . . . . . . . . A . 1 MCY N1 . . . . . . . . . rr_1q2t 1 . 1 . 26 . 1 1 1 MCY N3 N 15.008 1.131 -0.519 . . . 1.0 . . . . . . . . . . . . A . 1 MCY N3 . . . . . . . . . rr_1q2t 1 . 1 . 27 . 1 1 1 MCY N4 N 15.015 1.768 1.698 . . . 1.0 . . . . . . . . . . . . A . 1 MCY N4 . . . . . . . . . rr_1q2t 1 . 1 . 28 . 1 1 1 MCY O2 O 14.983 0.530 -2.695 . . . 1.0 . . . . . . . . . . . . A . 1 MCY O2 . . . . . . . . . rr_1q2t 1 . 1 . 29 . 1 1 1 MCY O3' O 13.032 4.795 -5.927 . . . 1.0 . . . . . . . . . . . . A . 1 MCY O3' . . . . . . . . . rr_1q2t 1 . 1 . 30 . 1 1 1 MCY O4' O 15.804 4.280 -3.910 . . . 1.0 . . . . . . . . . . . . A . 1 MCY O4' . . . . . . . . . rr_1q2t 1 . 1 . 31 . 1 1 1 MCY O5' O 14.777 6.321 -2.299 . . . 1.0 . . . . . . . . . . . . A . 1 MCY O5' . . . . . . . . . rr_1q2t 1 . 1 . 32 . 1 1 2 DC C1' C 7.264 2.515 -4.649 . . . 1.0 . . . . . . . . . . . . A . 2 DC C1' . . . . . . . . . rr_1q2t 1 . 1 . 33 . 1 1 2 DC C2 C 7.316 1.074 -2.663 . . . 1.0 . . . . . . . . . . . . A . 2 DC C2 . . . . . . . . . rr_1q2t 1 . 1 . 34 . 1 1 2 DC C2' C 6.278 3.539 -5.184 . . . 1.0 . . . . . . . . . . . . A . 2 DC C2' . . . . . . . . . rr_1q2t 1 . 1 . 35 . 1 1 2 DC C3' C 7.084 4.688 -5.728 . . . 1.0 . . . . . . . . . . . . A . 2 DC C3' . . . . . . . . . rr_1q2t 1 . 1 . 36 . 1 1 2 DC C4 C 6.883 2.000 -0.481 . . . 1.0 . . . . . . . . . . . . A . 2 DC C4 . . . . . . . . . rr_1q2t 1 . 1 . 37 . 1 1 2 DC C4' C 8.539 4.237 -5.671 . . . 1.0 . . . . . . . . . . . . A . 2 DC C4' . . . . . . . . . rr_1q2t 1 . 1 . 38 . 1 1 2 DC C5 C 6.694 3.295 -1.026 . . . 1.0 . . . . . . . . . . . . A . 2 DC C5 . . . . . . . . . rr_1q2t 1 . 1 . 39 . 1 1 2 DC C5' C 9.415 5.264 -4.950 . . . 1.0 . . . . . . . . . . . . A . 2 DC C5' . . . . . . . . . rr_1q2t 1 . 1 . 40 . 1 1 2 DC C6 C 6.829 3.434 -2.368 . . . 1.0 . . . . . . . . . . . . A . 2 DC C6 . . . . . . . . . rr_1q2t 1 . 1 . 41 . 1 1 2 DC H1' H 7.072 1.557 -5.130 . . . 1.0 . . . . . . . . . . . . A . 2 DC H1' . . . . . . . . . rr_1q2t 1 . 1 . 42 . 1 1 2 DC H2' H 5.631 3.890 -4.385 . . . 1.0 . . . . . . . . . . . . A . 2 DC H2' . . . . . . . . . rr_1q2t 1 . 1 . 43 . 1 1 2 DC H2'' H 5.679 3.096 -5.979 . . . 1.0 . . . . . . . . . . . . A . 2 DC H2'' . . . . . . . . . rr_1q2t 1 . 1 . 44 . 1 1 2 DC H3' H 6.940 5.560 -5.084 . . . 1.0 . . . . . . . . . . . . A . 2 DC H3' . . . . . . . . . rr_1q2t 1 . 1 . 45 . 1 1 2 DC H4' H 8.907 4.109 -6.688 . . . 1.0 . . . . . . . . . . . . A . 2 DC H4' . . . . . . . . . rr_1q2t 1 . 1 . 46 . 1 1 2 DC H41 H 6.614 2.523 1.475 . . . 1.0 . . . . . . . . . . . . A . 2 DC H41 . . . . . . . . . rr_1q2t 1 . 1 . 47 . 1 1 2 DC H42 H 6.922 0.821 1.173 . . . 1.0 . . . . . . . . . . . . A . 2 DC H42 . . . . . . . . . rr_1q2t 1 . 1 . 48 . 1 1 2 DC H5 H 6.409 4.130 -0.397 . . . 1.0 . . . . . . . . . . . . A . 2 DC H5 . . . . . . . . . rr_1q2t 1 . 1 . 49 . 1 1 2 DC H5' H 8.859 6.196 -4.844 . . . 1.0 . . . . . . . . . . . . A . 2 DC H5' . . . . . . . . . rr_1q2t 1 . 1 . 50 . 1 1 2 DC H5'' H 9.661 4.885 -3.958 . . . 1.0 . . . . . . . . . . . . A . 2 DC H5'' . . . . . . . . . rr_1q2t 1 . 1 . 51 . 1 1 2 DC H6 H 6.703 4.420 -2.815 . . . 1.0 . . . . . . . . . . . . A . 2 DC H6 . . . . . . . . . rr_1q2t 1 . 1 . 52 . 1 1 2 DC N1 N 7.130 2.354 -3.181 . . . 1.0 . . . . . . . . . . . . A . 2 DC N1 . . . . . . . . . rr_1q2t 1 . 1 . 53 . 1 1 2 DC N3 N 7.182 0.953 -1.296 . . . 1.0 . . . . . . . . . . . . A . 2 DC N3 . . . . . . . . . rr_1q2t 1 . 1 . 54 . 1 1 2 DC N4 N 6.807 1.764 0.829 . . . 1.0 . . . . . . . . . . . . A . 2 DC N4 . . . . . . . . . rr_1q2t 1 . 1 . 55 . 1 1 2 DC O2 O 7.577 0.105 -3.374 . . . 1.0 . . . . . . . . . . . . A . 2 DC O2 . . . . . . . . . rr_1q2t 1 . 1 . 56 . 1 1 2 DC O3' O 6.700 5.003 -7.074 . . . 1.0 . . . . . . . . . . . . A . 2 DC O3' . . . . . . . . . rr_1q2t 1 . 1 . 57 . 1 1 2 DC O4' O 8.591 2.962 -4.993 . . . 1.0 . . . . . . . . . . . . A . 2 DC O4' . . . . . . . . . rr_1q2t 1 . 1 . 58 . 1 1 2 DC O5' O 10.632 5.529 -5.664 . . . 1.0 . . . . . . . . . . . . A . 2 DC O5' . . . . . . . . . rr_1q2t 1 . 1 . 59 . 1 1 2 DC OP1 O 11.233 3.091 -5.527 . . . 1.0 . . . . . . . . . . . . A . 2 DC OP1 . . . . . . . . . rr_1q2t 1 . 1 . 60 . 1 1 2 DC OP2 O 11.372 4.354 -7.750 . . . 1.0 . . . . . . . . . . . . A . 2 DC OP2 . . . . . . . . . rr_1q2t 1 . 1 . 61 . 1 1 2 DC P P 11.527 4.332 -6.278 . . . 1.0 . . . . . . . . . . . . A . 2 DC P . . . . . . . . . rr_1q2t 1 . 1 . 62 . 1 1 3 DT C1' C 3.639 0.476 -5.829 . . . 1.0 . . . . . . . . . . . . A . 3 DT C1' . . . . . . . . . rr_1q2t 1 . 1 . 63 . 1 1 3 DT C2 C 4.015 0.032 -3.443 . . . 1.0 . . . . . . . . . . . . A . 3 DT C2 . . . . . . . . . rr_1q2t 1 . 1 . 64 . 1 1 3 DT C2' C 2.159 0.401 -6.182 . . . 1.0 . . . . . . . . . . . . A . 3 DT C2' . . . . . . . . . rr_1q2t 1 . 1 . 65 . 1 1 3 DT C3' C 1.920 1.393 -7.290 . . . 1.0 . . . . . . . . . . . . A . 3 DT C3' . . . . . . . . . rr_1q2t 1 . 1 . 66 . 1 1 3 DT C4 C 3.997 1.852 -1.781 . . . 1.0 . . . . . . . . . . . . A . 3 DT C4 . . . . . . . . . rr_1q2t 1 . 1 . 67 . 1 1 3 DT C4' C 3.295 1.897 -7.704 . . . 1.0 . . . . . . . . . . . . A . 3 DT C4' . . . . . . . . . rr_1q2t 1 . 1 . 68 . 1 1 3 DT C5 C 3.799 2.762 -2.890 . . . 1.0 . . . . . . . . . . . . A . 3 DT C5 . . . . . . . . . rr_1q2t 1 . 1 . 69 . 1 1 3 DT C5' C 3.336 3.424 -7.715 . . . 1.0 . . . . . . . . . . . . A . 3 DT C5' . . . . . . . . . rr_1q2t 1 . 1 . 70 . 1 1 3 DT C6 C 3.719 2.306 -4.158 . . . 1.0 . . . . . . . . . . . . A . 3 DT C6 . . . . . . . . . rr_1q2t 1 . 1 . 71 . 1 1 3 DT C7 C 3.674 4.262 -2.621 . . . 1.0 . . . . . . . . . . . . A . 3 DT C7 . . . . . . . . . rr_1q2t 1 . 1 . 72 . 1 1 3 DT H1' H 4.081 -0.516 -5.916 . . . 1.0 . . . . . . . . . . . . A . 3 DT H1' . . . . . . . . . rr_1q2t 1 . 1 . 73 . 1 1 3 DT H2' H 1.557 0.661 -5.315 . . . 1.0 . . . . . . . . . . . . A . 3 DT H2' . . . . . . . . . rr_1q2t 1 . 1 . 74 . 1 1 3 DT H2'' H 1.904 -0.603 -6.520 . . . 1.0 . . . . . . . . . . . . A . 3 DT H2'' . . . . . . . . . rr_1q2t 1 . 1 . 75 . 1 1 3 DT H3 H 4.268 -0.140 -1.416 . . . 1.0 . . . . . . . . . . . . A . 3 DT H3 . . . . . . . . . rr_1q2t 1 . 1 . 76 . 1 1 3 DT H3' H 1.328 2.227 -6.906 . . . 1.0 . . . . . . . . . . . . A . 3 DT H3' . . . . . . . . . rr_1q2t 1 . 1 . 77 . 1 1 3 DT H4' H 3.521 1.529 -8.705 . . . 1.0 . . . . . . . . . . . . A . 3 DT H4' . . . . . . . . . rr_1q2t 1 . 1 . 78 . 1 1 3 DT H5' H 2.633 3.794 -8.462 . . . 1.0 . . . . . . . . . . . . A . 3 DT H5' . . . . . . . . . rr_1q2t 1 . 1 . 79 . 1 1 3 DT H5'' H 3.040 3.796 -6.734 . . . 1.0 . . . . . . . . . . . . A . 3 DT H5'' . . . . . . . . . rr_1q2t 1 . 1 . 80 . 1 1 3 DT H6 H 3.615 3.017 -4.979 . . . 1.0 . . . . . . . . . . . . A . 3 DT H6 . . . . . . . . . rr_1q2t 1 . 1 . 81 . 1 1 3 DT H71 H 2.645 4.576 -2.796 . . . 1.0 . . . . . . . . . . . . A . 3 DT H71 . . . . . . . . . rr_1q2t 1 . 1 . 82 . 1 1 3 DT H72 H 4.338 4.810 -3.287 . . . 1.0 . . . . . . . . . . . . A . 3 DT H72 . . . . . . . . . rr_1q2t 1 . 1 . 83 . 1 1 3 DT H73 H 3.945 4.470 -1.586 . . . 1.0 . . . . . . . . . . . . A . 3 DT H73 . . . . . . . . . rr_1q2t 1 . 1 . 84 . 1 1 3 DT N1 N 3.814 0.970 -4.443 . . . 1.0 . . . . . . . . . . . . A . 3 DT N1 . . . . . . . . . rr_1q2t 1 . 1 . 85 . 1 1 3 DT N3 N 4.098 0.527 -2.154 . . . 1.0 . . . . . . . . . . . . A . 3 DT N3 . . . . . . . . . rr_1q2t 1 . 1 . 86 . 1 1 3 DT O2 O 4.124 -1.168 -3.681 . . . 1.0 . . . . . . . . . . . . A . 3 DT O2 . . . . . . . . . rr_1q2t 1 . 1 . 87 . 1 1 3 DT O3' O 1.240 0.779 -8.392 . . . 1.0 . . . . . . . . . . . . A . 3 DT O3' . . . . . . . . . rr_1q2t 1 . 1 . 88 . 1 1 3 DT O4 O 4.053 2.168 -0.594 . . . 1.0 . . . . . . . . . . . . A . 3 DT O4 . . . . . . . . . rr_1q2t 1 . 1 . 89 . 1 1 3 DT O4' O 4.271 1.365 -6.778 . . . 1.0 . . . . . . . . . . . . A . 3 DT O4' . . . . . . . . . rr_1q2t 1 . 1 . 90 . 1 1 3 DT O5' O 4.647 3.910 -8.026 . . . 1.0 . . . . . . . . . . . . A . 3 DT O5' . . . . . . . . . rr_1q2t 1 . 1 . 91 . 1 1 3 DT OP1 O 5.160 6.302 -8.565 . . . 1.0 . . . . . . . . . . . . A . 3 DT OP1 . . . . . . . . . rr_1q2t 1 . 1 . 92 . 1 1 3 DT OP2 O 4.427 5.625 -6.205 . . . 1.0 . . . . . . . . . . . . A . 3 DT OP2 . . . . . . . . . rr_1q2t 1 . 1 . 93 . 1 1 3 DT P P 5.165 5.325 -7.454 . . . 1.0 . . . . . . . . . . . . A . 3 DT P . . . . . . . . . rr_1q2t 1 . 1 . 94 . 1 1 4 DC C1' C -1.755 -2.113 -4.780 . . . 1.0 . . . . . . . . . . . . A . 4 DC C1' . . . . . . . . . rr_1q2t 1 . 1 . 95 . 1 1 4 DC C2 C -1.806 -1.320 -2.449 . . . 1.0 . . . . . . . . . . . . A . 4 DC C2 . . . . . . . . . rr_1q2t 1 . 1 . 96 . 1 1 4 DC C2' C -3.046 -2.753 -5.244 . . . 1.0 . . . . . . . . . . . . A . 4 DC C2' . . . . . . . . . rr_1q2t 1 . 1 . 97 . 1 1 4 DC C3' C -3.257 -2.327 -6.672 . . . 1.0 . . . . . . . . . . . . A . 4 DC C3' . . . . . . . . . rr_1q2t 1 . 1 . 98 . 1 1 4 DC C4 C -2.339 0.974 -1.985 . . . 1.0 . . . . . . . . . . . . A . 4 DC C4 . . . . . . . . . rr_1q2t 1 . 1 . 99 . 1 1 4 DC C4' C -1.957 -1.659 -7.102 . . . 1.0 . . . . . . . . . . . . A . 4 DC C4' . . . . . . . . . rr_1q2t 1 . 1 . 100 . 1 1 4 DC C5 C -2.575 1.231 -3.344 . . . 1.0 . . . . . . . . . . . . A . 4 DC C5 . . . . . . . . . rr_1q2t 1 . 1 . 101 . 1 1 4 DC C5' C -2.219 -0.277 -7.700 . . . 1.0 . . . . . . . . . . . . A . 4 DC C5' . . . . . . . . . rr_1q2t 1 . 1 . 102 . 1 1 4 DC C6 C -2.407 0.213 -4.221 . . . 1.0 . . . . . . . . . . . . A . 4 DC C6 . . . . . . . . . rr_1q2t 1 . 1 . 103 . 1 1 4 DC H1' H -1.120 -2.871 -4.322 . . . 1.0 . . . . . . . . . . . . A . 4 DC H1' . . . . . . . . . rr_1q2t 1 . 1 . 104 . 1 1 4 DC H2' H -3.867 -2.409 -4.628 . . . 1.0 . . . . . . . . . . . . A . 4 DC H2' . . . . . . . . . rr_1q2t 1 . 1 . 105 . 1 1 4 DC H2'' H -2.966 -3.839 -5.186 . . . 1.0 . . . . . . . . . . . . A . 4 DC H2'' . . . . . . . . . rr_1q2t 1 . 1 . 106 . 1 1 4 DC H3' H -4.080 -1.601 -6.713 . . . 1.0 . . . . . . . . . . . . A . 4 DC H3' . . . . . . . . . rr_1q2t 1 . 1 . 107 . 1 1 4 DC H4' H -1.473 -2.282 -7.854 . . . 1.0 . . . . . . . . . . . . A . 4 DC H4' . . . . . . . . . rr_1q2t 1 . 1 . 108 . 1 1 4 DC H41 H -2.721 2.863 -1.324 . . . 1.0 . . . . . . . . . . . . A . 4 DC H41 . . . . . . . . . rr_1q2t 1 . 1 . 109 . 1 1 4 DC H42 H -2.281 1.707 -0.086 . . . 1.0 . . . . . . . . . . . . A . 4 DC H42 . . . . . . . . . rr_1q2t 1 . 1 . 110 . 1 1 4 DC H5 H -2.882 2.201 -3.662 . . . 1.0 . . . . . . . . . . . . A . 4 DC H5 . . . . . . . . . rr_1q2t 1 . 1 . 111 . 1 1 4 DC H5' H -2.401 -0.383 -8.770 . . . 1.0 . . . . . . . . . . . . A . 4 DC H5' . . . . . . . . . rr_1q2t 1 . 1 . 112 . 1 1 4 DC H5'' H -3.104 0.155 -7.233 . . . 1.0 . . . . . . . . . . . . A . 4 DC H5'' . . . . . . . . . rr_1q2t 1 . 1 . 113 . 1 1 4 DC H6 H -2.579 0.389 -5.285 . . . 1.0 . . . . . . . . . . . . A . 4 DC H6 . . . . . . . . . rr_1q2t 1 . 1 . 114 . 1 1 4 DC N1 N -2.025 -1.041 -3.797 . . . 1.0 . . . . . . . . . . . . A . 4 DC N1 . . . . . . . . . rr_1q2t 1 . 1 . 115 . 1 1 4 DC N3 N -1.966 -0.260 -1.586 . . . 1.0 . . . . . . . . . . . . A . 4 DC N3 . . . . . . . . . rr_1q2t 1 . 1 . 116 . 1 1 4 DC N4 N -2.457 1.925 -1.058 . . . 1.0 . . . . . . . . . . . . A . 4 DC N4 . . . . . . . . . rr_1q2t 1 . 1 . 117 . 1 1 4 DC O2 O -1.564 -2.450 -2.032 . . . 1.0 . . . . . . . . . . . . A . 4 DC O2 . . . . . . . . . rr_1q2t 1 . 1 . 118 . 1 1 4 DC O3' O -3.548 -3.453 -7.507 . . . 1.0 . . . . . . . . . . . . A . 4 DC O3' . . . . . . . . . rr_1q2t 1 . 1 . 119 . 1 1 4 DC O4' O -1.094 -1.571 -5.945 . . . 1.0 . . . . . . . . . . . . A . 4 DC O4' . . . . . . . . . rr_1q2t 1 . 1 . 120 . 1 1 4 DC O5' O -1.109 0.607 -7.500 . . . 1.0 . . . . . . . . . . . . A . 4 DC O5' . . . . . . . . . rr_1q2t 1 . 1 . 121 . 1 1 4 DC OP1 O -0.680 0.445 -9.967 . . . 1.0 . . . . . . . . . . . . A . 4 DC OP1 . . . . . . . . . rr_1q2t 1 . 1 . 122 . 1 1 4 DC OP2 O -0.376 2.666 -8.727 . . . 1.0 . . . . . . . . . . . . A . 4 DC OP2 . . . . . . . . . rr_1q2t 1 . 1 . 123 . 1 1 4 DC P P -0.276 1.189 -8.753 . . . 1.0 . . . . . . . . . . . . A . 4 DC P . . . . . . . . . rr_1q2t 1 . 1 . 124 . 1 1 5 DT C1' C -5.473 -4.525 -3.042 . . . 1.0 . . . . . . . . . . . . A . 5 DT C1' . . . . . . . . . rr_1q2t 1 . 1 . 125 . 1 1 5 DT C2 C -5.191 -2.601 -1.545 . . . 1.0 . . . . . . . . . . . . A . 5 DT C2 . . . . . . . . . rr_1q2t 1 . 1 . 126 . 1 1 5 DT C2' C -6.777 -5.228 -2.728 . . . 1.0 . . . . . . . . . . . . A . 5 DT C2' . . . . . . . . . rr_1q2t 1 . 1 . 127 . 1 1 5 DT C3' C -7.355 -5.695 -4.037 . . . 1.0 . . . . . . . . . . . . A . 5 DT C3' . . . . . . . . . rr_1q2t 1 . 1 . 128 . 1 1 5 DT C4 C -5.510 -0.288 -2.330 . . . 1.0 . . . . . . . . . . . . A . 5 DT C4 . . . . . . . . . rr_1q2t 1 . 1 . 129 . 1 1 5 DT C4' C -6.284 -5.430 -5.084 . . . 1.0 . . . . . . . . . . . . A . 5 DT C4' . . . . . . . . . rr_1q2t 1 . 1 . 130 . 1 1 5 DT C5 C -5.871 -0.846 -3.608 . . . 1.0 . . . . . . . . . . . . A . 5 DT C5 . . . . . . . . . rr_1q2t 1 . 1 . 131 . 1 1 5 DT C5' C -6.838 -4.559 -6.214 . . . 1.0 . . . . . . . . . . . . A . 5 DT C5' . . . . . . . . . rr_1q2t 1 . 1 . 132 . 1 1 5 DT C6 C -5.882 -2.183 -3.808 . . . 1.0 . . . . . . . . . . . . A . 5 DT C6 . . . . . . . . . rr_1q2t 1 . 1 . 133 . 1 1 5 DT C7 C -6.215 0.094 -4.756 . . . 1.0 . . . . . . . . . . . . A . 5 DT C7 . . . . . . . . . rr_1q2t 1 . 1 . 134 . 1 1 5 DT H1' H -4.700 -4.947 -2.403 . . . 1.0 . . . . . . . . . . . . A . 5 DT H1' . . . . . . . . . rr_1q2t 1 . 1 . 135 . 1 1 5 DT H2' H -7.458 -4.554 -2.236 . . . 1.0 . . . . . . . . . . . . A . 5 DT H2' . . . . . . . . . rr_1q2t 1 . 1 . 136 . 1 1 5 DT H2'' H -6.585 -6.088 -2.088 . . . 1.0 . . . . . . . . . . . . A . 5 DT H2'' . . . . . . . . . rr_1q2t 1 . 1 . 137 . 1 1 5 DT H3 H -4.934 -0.879 -0.476 . . . 1.0 . . . . . . . . . . . . A . 5 DT H3 . . . . . . . . . rr_1q2t 1 . 1 . 138 . 1 1 5 DT H3' H -8.251 -5.110 -4.268 . . . 1.0 . . . . . . . . . . . . A . 5 DT H3' . . . . . . . . . rr_1q2t 1 . 1 . 139 . 1 1 5 DT H4' H -5.953 -6.381 -5.501 . . . 1.0 . . . . . . . . . . . . A . 5 DT H4' . . . . . . . . . rr_1q2t 1 . 1 . 140 . 1 1 5 DT H5' H -7.085 -5.197 -7.063 . . . 1.0 . . . . . . . . . . . . A . 5 DT H5' . . . . . . . . . rr_1q2t 1 . 1 . 141 . 1 1 5 DT H5'' H -7.745 -4.061 -5.871 . . . 1.0 . . . . . . . . . . . . A . 5 DT H5'' . . . . . . . . . rr_1q2t 1 . 1 . 142 . 1 1 5 DT H6 H -6.146 -2.571 -4.794 . . . 1.0 . . . . . . . . . . . . A . 5 DT H6 . . . . . . . . . rr_1q2t 1 . 1 . 143 . 1 1 5 DT H71 H -5.578 -0.129 -5.612 . . . 1.0 . . . . . . . . . . . . A . 5 DT H71 . . . . . . . . . rr_1q2t 1 . 1 . 144 . 1 1 5 DT H72 H -6.052 1.126 -4.443 . . . 1.0 . . . . . . . . . . . . A . 5 DT H72 . . . . . . . . . rr_1q2t 1 . 1 . 145 . 1 1 5 DT H73 H -7.260 -0.040 -5.035 . . . 1.0 . . . . . . . . . . . . A . 5 DT H73 . . . . . . . . . rr_1q2t 1 . 1 . 146 . 1 1 5 DT N1 N -5.546 -3.060 -2.802 . . . 1.0 . . . . . . . . . . . . A . 5 DT N1 . . . . . . . . . rr_1q2t 1 . 1 . 147 . 1 1 5 DT N3 N -5.193 -1.228 -1.377 . . . 1.0 . . . . . . . . . . . . A . 5 DT N3 . . . . . . . . . rr_1q2t 1 . 1 . 148 . 1 1 5 DT O2 O -4.889 -3.363 -0.628 . . . 1.0 . . . . . . . . . . . . A . 5 DT O2 . . . . . . . . . rr_1q2t 1 . 1 . 149 . 1 1 5 DT O3' O -7.677 -7.090 -3.985 . . . 1.0 . . . . . . . . . . . . A . 5 DT O3' . . . . . . . . . rr_1q2t 1 . 1 . 150 . 1 1 5 DT O4 O -5.465 0.911 -2.062 . . . 1.0 . . . . . . . . . . . . A . 5 DT O4 . . . . . . . . . rr_1q2t 1 . 1 . 151 . 1 1 5 DT O4' O -5.162 -4.790 -4.429 . . . 1.0 . . . . . . . . . . . . A . 5 DT O4' . . . . . . . . . rr_1q2t 1 . 1 . 152 . 1 1 5 DT O5' O -5.897 -3.567 -6.632 . . . 1.0 . . . . . . . . . . . . A . 5 DT O5' . . . . . . . . . rr_1q2t 1 . 1 . 153 . 1 1 5 DT OP1 O -5.133 -5.172 -8.402 . . . 1.0 . . . . . . . . . . . . A . 5 DT OP1 . . . . . . . . . rr_1q2t 1 . 1 . 154 . 1 1 5 DT OP2 O -5.457 -2.686 -8.935 . . . 1.0 . . . . . . . . . . . . A . 5 DT OP2 . . . . . . . . . rr_1q2t 1 . 1 . 155 . 1 1 5 DT P P -5.053 -3.752 -7.991 . . . 1.0 . . . . . . . . . . . . A . 5 DT P . . . . . . . . . rr_1q2t 1 . 1 . 156 . 1 1 6 DC C1' C -11.801 -4.406 -0.281 . . . 1.0 . . . . . . . . . . . . A . 6 DC C1' . . . . . . . . . rr_1q2t 1 . 1 . 157 . 1 1 6 DC C2 C -11.369 -2.001 -0.212 . . . 1.0 . . . . . . . . . . . . A . 6 DC C2 . . . . . . . . . rr_1q2t 1 . 1 . 158 . 1 1 6 DC C2' C -13.217 -4.935 -0.458 . . . 1.0 . . . . . . . . . . . . A . 6 DC C2' . . . . . . . . . rr_1q2t 1 . 1 . 159 . 1 1 6 DC C3' C -13.110 -6.271 -1.140 . . . 1.0 . . . . . . . . . . . . A . 6 DC C3' . . . . . . . . . rr_1q2t 1 . 1 . 160 . 1 1 6 DC C4 C -11.379 -0.714 -2.249 . . . 1.0 . . . . . . . . . . . . A . 6 DC C4 . . . . . . . . . rr_1q2t 1 . 1 . 161 . 1 1 6 DC C4' C -11.624 -6.527 -1.336 . . . 1.0 . . . . . . . . . . . . A . 6 DC C4' . . . . . . . . . rr_1q2t 1 . 1 . 162 . 1 1 6 DC C5 C -11.649 -1.875 -3.027 . . . 1.0 . . . . . . . . . . . . A . 6 DC C5 . . . . . . . . . rr_1q2t 1 . 1 . 163 . 1 1 6 DC C5' C -11.310 -6.733 -2.816 . . . 1.0 . . . . . . . . . . . . A . 6 DC C5' . . . . . . . . . rr_1q2t 1 . 1 . 164 . 1 1 6 DC C6 C -11.778 -3.049 -2.364 . . . 1.0 . . . . . . . . . . . . A . 6 DC C6 . . . . . . . . . rr_1q2t 1 . 1 . 165 . 1 1 6 DC H1' H -11.595 -4.253 0.785 . . . 1.0 . . . . . . . . . . . . A . 6 DC H1' . . . . . . . . . rr_1q2t 1 . 1 . 166 . 1 1 6 DC H2' H -13.796 -4.249 -1.076 . . . 1.0 . . . . . . . . . . . . A . 6 DC H2' . . . . . . . . . rr_1q2t 1 . 1 . 167 . 1 1 6 DC H2'' H -13.696 -5.052 0.509 . . . 1.0 . . . . . . . . . . . . A . 6 DC H2'' . . . . . . . . . rr_1q2t 1 . 1 . 168 . 1 1 6 DC H3' H -13.602 -6.219 -2.114 . . . 1.0 . . . . . . . . . . . . A . 6 DC H3' . . . . . . . . . rr_1q2t 1 . 1 . 169 . 1 1 6 DC H4' H -11.342 -7.423 -0.785 . . . 1.0 . . . . . . . . . . . . A . 6 DC H4' . . . . . . . . . rr_1q2t 1 . 1 . 170 . 1 1 6 DC H41 H -11.375 0.619 -3.790 . . . 1.0 . . . . . . . . . . . . A . 6 DC H41 . . . . . . . . . rr_1q2t 1 . 1 . 171 . 1 1 6 DC H42 H -11.085 1.298 -2.202 . . . 1.0 . . . . . . . . . . . . A . 6 DC H42 . . . . . . . . . rr_1q2t 1 . 1 . 172 . 1 1 6 DC H5 H -11.725 -1.829 -4.113 . . . 1.0 . . . . . . . . . . . . A . 6 DC H5 . . . . . . . . . rr_1q2t 1 . 1 . 173 . 1 1 6 DC H5' H -11.535 -7.765 -3.088 . . . 1.0 . . . . . . . . . . . . A . 6 DC H5' . . . . . . . . . rr_1q2t 1 . 1 . 174 . 1 1 6 DC H5'' H -11.934 -6.065 -3.410 . . . 1.0 . . . . . . . . . . . . A . 6 DC H5'' . . . . . . . . . rr_1q2t 1 . 1 . 175 . 1 1 6 DC H6 H -12.016 -3.951 -2.926 . . . 1.0 . . . . . . . . . . . . A . 6 DC H6 . . . . . . . . . rr_1q2t 1 . 1 . 176 . 1 1 6 DC N1 N -11.642 -3.122 -0.989 . . . 1.0 . . . . . . . . . . . . A . 6 DC N1 . . . . . . . . . rr_1q2t 1 . 1 . 177 . 1 1 6 DC N3 N -11.247 -0.812 -0.896 . . . 1.0 . . . . . . . . . . . . A . 6 DC N3 . . . . . . . . . rr_1q2t 1 . 1 . 178 . 1 1 6 DC N4 N -11.268 0.498 -2.794 . . . 1.0 . . . . . . . . . . . . A . 6 DC N4 . . . . . . . . . rr_1q2t 1 . 1 . 179 . 1 1 6 DC O2 O -11.235 -2.063 1.009 . . . 1.0 . . . . . . . . . . . . A . 6 DC O2 . . . . . . . . . rr_1q2t 1 . 1 . 180 . 1 1 6 DC O3' O -13.706 -7.304 -0.349 . . . 1.0 . . . . . . . . . . . . A . 6 DC O3' . . . . . . . . . rr_1q2t 1 . 1 . 181 . 1 1 6 DC O4' O -10.893 -5.397 -0.807 . . . 1.0 . . . . . . . . . . . . A . 6 DC O4' . . . . . . . . . rr_1q2t 1 . 1 . 182 . 1 1 6 DC O5' O -9.938 -6.463 -3.104 . . . 1.0 . . . . . . . . . . . . A . 6 DC O5' . . . . . . . . . rr_1q2t 1 . 1 . 183 . 1 1 6 DC OP1 O -8.303 -7.649 -1.624 . . . 1.0 . . . . . . . . . . . . A . 6 DC OP1 . . . . . . . . . rr_1q2t 1 . 1 . 184 . 1 1 6 DC OP2 O -9.404 -8.861 -3.596 . . . 1.0 . . . . . . . . . . . . A . 6 DC OP2 . . . . . . . . . rr_1q2t 1 . 1 . 185 . 1 1 6 DC P P -8.834 -7.629 -3.005 . . . 1.0 . . . . . . . . . . . . A . 6 DC P . . . . . . . . . rr_1q2t 1 . 1 . 186 . 1 1 7 DC C1' C -17.510 -4.654 0.459 . . . 1.0 . . . . . . . . . . . . A . 7 DC C1' . . . . . . . . . rr_1q2t 1 . 1 . 187 . 1 1 7 DC C2 C -17.762 -2.219 0.331 . . . 1.0 . . . . . . . . . . . . A . 7 DC C2 . . . . . . . . . rr_1q2t 1 . 1 . 188 . 1 1 7 DC C2' C -18.907 -5.255 0.446 . . . 1.0 . . . . . . . . . . . . A . 7 DC C2' . . . . . . . . . rr_1q2t 1 . 1 . 189 . 1 1 7 DC C3' C -18.764 -6.690 0.008 . . . 1.0 . . . . . . . . . . . . A . 7 DC C3' . . . . . . . . . rr_1q2t 1 . 1 . 190 . 1 1 7 DC C4 C -17.403 -1.070 -1.758 . . . 1.0 . . . . . . . . . . . . A . 7 DC C4 . . . . . . . . . rr_1q2t 1 . 1 . 191 . 1 1 7 DC C4' C -17.277 -6.908 -0.236 . . . 1.0 . . . . . . . . . . . . A . 7 DC C4' . . . . . . . . . rr_1q2t 1 . 1 . 192 . 1 1 7 DC C5 C -17.096 -2.290 -2.424 . . . 1.0 . . . . . . . . . . . . A . 7 DC C5 . . . . . . . . . rr_1q2t 1 . 1 . 193 . 1 1 7 DC C5' C -17.031 -7.469 -1.636 . . . 1.0 . . . . . . . . . . . . A . 7 DC C5' . . . . . . . . . rr_1q2t 1 . 1 . 194 . 1 1 7 DC C6 C -17.139 -3.430 -1.684 . . . 1.0 . . . . . . . . . . . . A . 7 DC C6 . . . . . . . . . rr_1q2t 1 . 1 . 195 . 1 1 7 DC H1' H -17.233 -4.427 1.488 . . . 1.0 . . . . . . . . . . . . A . 7 DC H1' . . . . . . . . . rr_1q2t 1 . 1 . 196 . 1 1 7 DC H2' H -19.540 -4.713 -0.256 . . . 1.0 . . . . . . . . . . . . A . 7 DC H2' . . . . . . . . . rr_1q2t 1 . 1 . 197 . 1 1 7 DC H2'' H -19.339 -5.213 1.446 . . . 1.0 . . . . . . . . . . . . A . 7 DC H2'' . . . . . . . . . rr_1q2t 1 . 1 . 198 . 1 1 7 DC H3' H -19.315 -6.842 -0.923 . . . 1.0 . . . . . . . . . . . . A . 7 DC H3' . . . . . . . . . rr_1q2t 1 . 1 . 199 . 1 1 7 DC H4' H -16.898 -7.616 0.501 . . . 1.0 . . . . . . . . . . . . A . 7 DC H4' . . . . . . . . . rr_1q2t 1 . 1 . 200 . 1 1 7 DC H41 H -17.153 0.149 -3.370 . . . 1.0 . . . . . . . . . . . . A . 7 DC H41 . . . . . . . . . rr_1q2t 1 . 1 . 201 . 1 1 7 DC H42 H -17.603 0.952 -1.881 . . . 1.0 . . . . . . . . . . . . A . 7 DC H42 . . . . . . . . . rr_1q2t 1 . 1 . 202 . 1 1 7 DC H5 H -16.815 -2.304 -3.479 . . . 1.0 . . . . . . . . . . . . A . 7 DC H5 . . . . . . . . . rr_1q2t 1 . 1 . 203 . 1 1 7 DC H5' H -17.464 -8.468 -1.700 . . . 1.0 . . . . . . . . . . . . A . 7 DC H5' . . . . . . . . . rr_1q2t 1 . 1 . 204 . 1 1 7 DC H5'' H -17.518 -6.824 -2.367 . . . 1.0 . . . . . . . . . . . . A . 7 DC H5'' . . . . . . . . . rr_1q2t 1 . 1 . 205 . 1 1 7 DC H6 H -16.913 -4.384 -2.161 . . . 1.0 . . . . . . . . . . . . A . 7 DC H6 . . . . . . . . . rr_1q2t 1 . 1 . 206 . 1 1 7 DC HO3' H -20.197 -7.434 1.096 . . . 1.0 . . . . . . . . . . . . A . 7 DC HO3' . . . . . . . . . rr_1q2t 1 . 1 . 207 . 1 1 7 DC N1 N -17.464 -3.406 -0.337 . . . 1.0 . . . . . . . . . . . . A . 7 DC N1 . . . . . . . . . rr_1q2t 1 . 1 . 208 . 1 1 7 DC N3 N -17.720 -1.072 -0.432 . . . 1.0 . . . . . . . . . . . . A . 7 DC N3 . . . . . . . . . rr_1q2t 1 . 1 . 209 . 1 1 7 DC N4 N -17.387 0.105 -2.389 . . . 1.0 . . . . . . . . . . . . A . 7 DC N4 . . . . . . . . . rr_1q2t 1 . 1 . 210 . 1 1 7 DC O2 O -18.019 -2.184 1.535 . . . 1.0 . . . . . . . . . . . . A . 7 DC O2 . . . . . . . . . rr_1q2t 1 . 1 . 211 . 1 1 7 DC O3' O -19.252 -7.583 1.015 . . . 1.0 . . . . . . . . . . . . A . 7 DC O3' . . . . . . . . . rr_1q2t 1 . 1 . 212 . 1 1 7 DC O4' O -16.599 -5.644 -0.062 . . . 1.0 . . . . . . . . . . . . A . 7 DC O4' . . . . . . . . . rr_1q2t 1 . 1 . 213 . 1 1 7 DC O5' O -15.634 -7.546 -1.942 . . . 1.0 . . . . . . . . . . . . A . 7 DC O5' . . . . . . . . . rr_1q2t 1 . 1 . 214 . 1 1 7 DC OP1 O -15.407 -9.108 0.016 . . . 1.0 . . . . . . . . . . . . A . 7 DC OP1 . . . . . . . . . rr_1q2t 1 . 1 . 215 . 1 1 7 DC OP2 O -13.773 -9.226 -1.953 . . . 1.0 . . . . . . . . . . . . A . 7 DC OP2 . . . . . . . . . rr_1q2t 1 . 1 . 216 . 1 1 7 DC P P -14.626 -8.430 -1.043 . . . 1.0 . . . . . . . . . . . . A . 7 DC P . . . . . . . . . rr_1q2t 1 . 1 . 217 . 2 1 1 MCY C1' C -14.583 4.204 -2.352 . . . 1.0 . . . . . . . . . . . . B . 1 MCY C1' . . . . . . . . . rr_1q2t 1 . 1 . 218 . 2 1 1 MCY C2 C -14.832 2.305 -0.803 . . . 1.0 . . . . . . . . . . . . B . 1 MCY C2 . . . . . . . . . rr_1q2t 1 . 1 . 219 . 2 1 1 MCY C2' C -13.176 4.768 -2.355 . . . 1.0 . . . . . . . . . . . . B . 1 MCY C2' . . . . . . . . . rr_1q2t 1 . 1 . 220 . 2 1 1 MCY C3' C -12.950 5.417 -3.683 . . . 1.0 . . . . . . . . . . . . B . 1 MCY C3' . . . . . . . . . rr_1q2t 1 . 1 . 221 . 2 1 1 MCY C4 C -14.599 0.093 -1.590 . . . 1.0 . . . . . . . . . . . . B . 1 MCY C4 . . . . . . . . . rr_1q2t 1 . 1 . 222 . 2 1 1 MCY C4' C -14.227 5.193 -4.483 . . . 1.0 . . . . . . . . . . . . B . 1 MCY C4' . . . . . . . . . rr_1q2t 1 . 1 . 223 . 2 1 1 MCY C5 C -14.340 0.544 -2.835 . . . 1.0 . . . . . . . . . . . . B . 1 MCY C5 . . . . . . . . . rr_1q2t 1 . 1 . 224 . 2 1 1 MCY C5' C -13.941 4.411 -5.764 . . . 1.0 . . . . . . . . . . . . B . 1 MCY C5' . . . . . . . . . rr_1q2t 1 . 1 . 225 . 2 1 1 MCY C5A C -14.160 -0.441 -3.988 . . . 1.0 . . . . . . . . . . . . B . 1 MCY C5A . . . . . . . . . rr_1q2t 1 . 1 . 226 . 2 1 1 MCY C6 C -14.310 1.867 -3.070 . . . 1.0 . . . . . . . . . . . . B . 1 MCY C6 . . . . . . . . . rr_1q2t 1 . 1 . 227 . 2 1 1 MCY H1' H -15.172 4.703 -1.584 . . . 1.0 . . . . . . . . . . . . B . 1 MCY H1' . . . . . . . . . rr_1q2t 1 . 1 . 228 . 2 1 1 MCY H2' H -12.460 3.959 -2.227 . . . 1.0 . . . . . . . . . . . . B . 1 MCY H2' . . . . . . . . . rr_1q2t 1 . 1 . 229 . 2 1 1 MCY H2'' H -13.066 5.507 -1.565 . . . 1.0 . . . . . . . . . . . . B . 1 MCY H2'' . . . . . . . . . rr_1q2t 1 . 1 . 230 . 2 1 1 MCY H3' H -12.109 4.926 -4.171 . . . 1.0 . . . . . . . . . . . . B . 1 MCY H3' . . . . . . . . . rr_1q2t 1 . 1 . 231 . 2 1 1 MCY H4' H -14.656 6.159 -4.745 . . . 1.0 . . . . . . . . . . . . B . 1 MCY H4' . . . . . . . . . rr_1q2t 1 . 1 . 232 . 2 1 1 MCY H5' H -14.885 4.192 -6.264 . . . 1.0 . . . . . . . . . . . . B . 1 MCY H5' . . . . . . . . . rr_1q2t 1 . 1 . 233 . 2 1 1 MCY H5'' H -13.324 5.022 -6.423 . . . 1.0 . . . . . . . . . . . . B . 1 MCY H5'' . . . . . . . . . rr_1q2t 1 . 1 . 234 . 2 1 1 MCY H5A1 H -13.277 -0.167 -4.566 . . . 1.0 . . . . . . . . . . . . B . 1 MCY H5A1 . . . . . . . . . rr_1q2t 1 . 1 . 235 . 2 1 1 MCY H5A2 H -15.039 -0.409 -4.632 . . . 1.0 . . . . . . . . . . . . B . 1 MCY H5A2 . . . . . . . . . rr_1q2t 1 . 1 . 236 . 2 1 1 MCY H5A3 H -14.038 -1.450 -3.596 . . . 1.0 . . . . . . . . . . . . B . 1 MCY H5A3 . . . . . . . . . rr_1q2t 1 . 1 . 237 . 2 1 1 MCY H6 H -14.026 2.239 -4.047 . . . 1.0 . . . . . . . . . . . . B . 1 MCY H6 . . . . . . . . . rr_1q2t 1 . 1 . 238 . 2 1 1 MCY HN41 H -14.394 -1.876 -2.071 . . . 1.0 . . . . . . . . . . . . B . 1 MCY HN41 . . . . . . . . . rr_1q2t 1 . 1 . 239 . 2 1 1 MCY HN42 H -14.787 -1.549 -0.398 . . . 1.0 . . . . . . . . . . . . B . 1 MCY HN42 . . . . . . . . . rr_1q2t 1 . 1 . 240 . 2 1 1 MCY HO5' H -12.495 3.394 -4.957 . . . 1.0 . . . . . . . . . . . . B . 1 MCY HO5' . . . . . . . . . rr_1q2t 1 . 1 . 241 . 2 1 1 MCY N1 N -14.560 2.749 -2.080 . . . 1.0 . . . . . . . . . . . . B . 1 MCY N1 . . . . . . . . . rr_1q2t 1 . 1 . 242 . 2 1 1 MCY N3 N -14.841 0.963 -0.594 . . . 1.0 . . . . . . . . . . . . B . 1 MCY N3 . . . . . . . . . rr_1q2t 1 . 1 . 243 . 2 1 1 MCY N4 N -14.593 -1.217 -1.333 . . . 1.0 . . . . . . . . . . . . B . 1 MCY N4 . . . . . . . . . rr_1q2t 1 . 1 . 244 . 2 1 1 MCY O2 O -15.046 3.099 0.108 . . . 1.0 . . . . . . . . . . . . B . 1 MCY O2 . . . . . . . . . rr_1q2t 1 . 1 . 245 . 2 1 1 MCY O3' O -12.678 6.815 -3.527 . . . 1.0 . . . . . . . . . . . . B . 1 MCY O3' . . . . . . . . . rr_1q2t 1 . 1 . 246 . 2 1 1 MCY O4' O -15.164 4.476 -3.646 . . . 1.0 . . . . . . . . . . . . B . 1 MCY O4' . . . . . . . . . rr_1q2t 1 . 1 . 247 . 2 1 1 MCY O5' O -13.261 3.182 -5.494 . . . 1.0 . . . . . . . . . . . . B . 1 MCY O5' . . . . . . . . . rr_1q2t 1 . 1 . 248 . 2 1 2 DC C1' C -7.906 4.932 -0.648 . . . 1.0 . . . . . . . . . . . . B . 2 DC C1' . . . . . . . . . rr_1q2t 1 . 1 . 249 . 2 1 2 DC C2 C -7.995 2.537 -0.126 . . . 1.0 . . . . . . . . . . . . B . 2 DC C2 . . . . . . . . . rr_1q2t 1 . 1 . 250 . 2 1 2 DC C2' C -6.558 5.533 -1.007 . . . 1.0 . . . . . . . . . . . . B . 2 DC C2' . . . . . . . . . rr_1q2t 1 . 1 . 251 . 2 1 2 DC C3' C -6.827 6.688 -1.938 . . . 1.0 . . . . . . . . . . . . B . 2 DC C3' . . . . . . . . . rr_1q2t 1 . 1 . 252 . 2 1 2 DC C4 C -8.340 0.942 -1.890 . . . 1.0 . . . . . . . . . . . . B . 2 DC C4 . . . . . . . . . rr_1q2t 1 . 1 . 253 . 2 1 2 DC C4' C -8.343 6.807 -2.036 . . . 1.0 . . . . . . . . . . . . B . 2 DC C4' . . . . . . . . . rr_1q2t 1 . 1 . 254 . 2 1 2 DC C5 C -8.336 1.956 -2.874 . . . 1.0 . . . . . . . . . . . . B . 2 DC C5 . . . . . . . . . rr_1q2t 1 . 1 . 255 . 2 1 2 DC C5' C -8.809 6.734 -3.490 . . . 1.0 . . . . . . . . . . . . B . 2 DC C5' . . . . . . . . . rr_1q2t 1 . 1 . 256 . 2 1 2 DC C6 C -8.167 3.230 -2.451 . . . 1.0 . . . . . . . . . . . . B . 2 DC C6 . . . . . . . . . rr_1q2t 1 . 1 . 257 . 2 1 2 DC H1' H -8.032 4.961 0.432 . . . 1.0 . . . . . . . . . . . . B . 2 DC H1' . . . . . . . . . rr_1q2t 1 . 1 . 258 . 2 1 2 DC H2' H -5.933 4.788 -1.498 . . . 1.0 . . . . . . . . . . . . B . 2 DC H2' . . . . . . . . . rr_1q2t 1 . 1 . 259 . 2 1 2 DC H2'' H -6.064 5.894 -0.107 . . . 1.0 . . . . . . . . . . . . B . 2 DC H2'' . . . . . . . . . rr_1q2t 1 . 1 . 260 . 2 1 2 DC H3' H -6.412 6.465 -2.923 . . . 1.0 . . . . . . . . . . . . B . 2 DC H3' . . . . . . . . . rr_1q2t 1 . 1 . 261 . 2 1 2 DC H4' H -8.651 7.763 -1.613 . . . 1.0 . . . . . . . . . . . . B . 2 DC H4' . . . . . . . . . rr_1q2t 1 . 1 . 262 . 2 1 2 DC H41 H -9.043 -0.490 -3.110 . . . 1.0 . . . . . . . . . . . . B . 2 DC H41 . . . . . . . . . rr_1q2t 1 . 1 . 263 . 2 1 2 DC H42 H -8.662 -1.012 -1.478 . . . 1.0 . . . . . . . . . . . . B . 2 DC H42 . . . . . . . . . rr_1q2t 1 . 1 . 264 . 2 1 2 DC H5 H -8.422 1.707 -3.934 . . . 1.0 . . . . . . . . . . . . B . 2 DC H5 . . . . . . . . . rr_1q2t 1 . 1 . 265 . 2 1 2 DC H5' H -8.658 7.706 -3.961 . . . 1.0 . . . . . . . . . . . . B . 2 DC H5' . . . . . . . . . rr_1q2t 1 . 1 . 266 . 2 1 2 DC H5'' H -8.216 5.988 -4.018 . . . 1.0 . . . . . . . . . . . . B . 2 DC H5'' . . . . . . . . . rr_1q2t 1 . 1 . 267 . 2 1 2 DC H6 H -8.131 4.027 -3.188 . . . 1.0 . . . . . . . . . . . . B . 2 DC H6 . . . . . . . . . rr_1q2t 1 . 1 . 268 . 2 1 2 DC N1 N -8.009 3.530 -1.107 . . . 1.0 . . . . . . . . . . . . B . 2 DC N1 . . . . . . . . . rr_1q2t 1 . 1 . 269 . 2 1 2 DC N3 N -8.158 1.252 -0.579 . . . 1.0 . . . . . . . . . . . . B . 2 DC N3 . . . . . . . . . rr_1q2t 1 . 1 . 270 . 2 1 2 DC N4 N -8.725 -0.282 -2.178 . . . 1.0 . . . . . . . . . . . . B . 2 DC N4 . . . . . . . . . rr_1q2t 1 . 1 . 271 . 2 1 2 DC O2 O -7.888 2.786 1.072 . . . 1.0 . . . . . . . . . . . . B . 2 DC O2 . . . . . . . . . rr_1q2t 1 . 1 . 272 . 2 1 2 DC O3' O -6.253 7.897 -1.427 . . . 1.0 . . . . . . . . . . . . B . 2 DC O3' . . . . . . . . . rr_1q2t 1 . 1 . 273 . 2 1 2 DC O4' O -8.932 5.742 -1.260 . . . 1.0 . . . . . . . . . . . . B . 2 DC O4' . . . . . . . . . rr_1q2t 1 . 1 . 274 . 2 1 2 DC O5' O -10.195 6.377 -3.582 . . . 1.0 . . . . . . . . . . . . B . 2 DC O5' . . . . . . . . . rr_1q2t 1 . 1 . 275 . 2 1 2 DC OP1 O -11.058 8.716 -3.318 . . . 1.0 . . . . . . . . . . . . B . 2 DC OP1 . . . . . . . . . rr_1q2t 1 . 1 . 276 . 2 1 2 DC OP2 O -11.328 7.463 -5.537 . . . 1.0 . . . . . . . . . . . . B . 2 DC OP2 . . . . . . . . . rr_1q2t 1 . 1 . 277 . 2 1 2 DC P P -11.296 7.455 -4.057 . . . 1.0 . . . . . . . . . . . . B . 2 DC P . . . . . . . . . rr_1q2t 1 . 1 . 278 . 2 1 3 DT C1' C -1.439 4.689 -2.710 . . . 1.0 . . . . . . . . . . . . B . 3 DT C1' . . . . . . . . . rr_1q2t 1 . 1 . 279 . 2 1 3 DT C2 C -1.673 3.768 -4.965 . . . 1.0 . . . . . . . . . . . . B . 3 DT C2 . . . . . . . . . rr_1q2t 1 . 1 . 280 . 2 1 3 DT C2' C -0.564 5.918 -2.538 . . . 1.0 . . . . . . . . . . . . B . 3 DT C2' . . . . . . . . . rr_1q2t 1 . 1 . 281 . 2 1 3 DT C3' C -0.915 6.521 -1.201 . . . 1.0 . . . . . . . . . . . . B . 3 DT C3' . . . . . . . . . rr_1q2t 1 . 1 . 282 . 2 1 3 DT C4 C -3.413 4.576 -6.514 . . . 1.0 . . . . . . . . . . . . B . 3 DT C4 . . . . . . . . . rr_1q2t 1 . 1 . 283 . 2 1 3 DT C4' C -2.107 5.723 -0.683 . . . 1.0 . . . . . . . . . . . . B . 3 DT C4' . . . . . . . . . rr_1q2t 1 . 1 . 284 . 2 1 3 DT C5 C -3.801 5.505 -5.474 . . . 1.0 . . . . . . . . . . . . B . 3 DT C5 . . . . . . . . . rr_1q2t 1 . 1 . 285 . 2 1 3 DT C5' C -3.317 6.630 -0.476 . . . 1.0 . . . . . . . . . . . . B . 3 DT C5' . . . . . . . . . rr_1q2t 1 . 1 . 286 . 2 1 3 DT C6 C -3.157 5.532 -4.290 . . . 1.0 . . . . . . . . . . . . B . 3 DT C6 . . . . . . . . . rr_1q2t 1 . 1 . 287 . 2 1 3 DT C7 C -4.961 6.468 -5.718 . . . 1.0 . . . . . . . . . . . . B . 3 DT C7 . . . . . . . . . rr_1q2t 1 . 1 . 288 . 2 1 3 DT H1' H -0.818 3.799 -2.629 . . . 1.0 . . . . . . . . . . . . B . 3 DT H1' . . . . . . . . . rr_1q2t 1 . 1 . 289 . 2 1 3 DT H2' H -0.766 6.635 -3.334 . . . 1.0 . . . . . . . . . . . . B . 3 DT H2' . . . . . . . . . rr_1q2t 1 . 1 . 290 . 2 1 3 DT H2'' H 0.488 5.632 -2.553 . . . 1.0 . . . . . . . . . . . . B . 3 DT H2'' . . . . . . . . . rr_1q2t 1 . 1 . 291 . 2 1 3 DT H3 H -2.057 3.075 -6.851 . . . 1.0 . . . . . . . . . . . . B . 3 DT H3 . . . . . . . . . rr_1q2t 1 . 1 . 292 . 2 1 3 DT H3' H -1.203 7.565 -1.336 . . . 1.0 . . . . . . . . . . . . B . 3 DT H3' . . . . . . . . . rr_1q2t 1 . 1 . 293 . 2 1 3 DT H4' H -1.840 5.263 0.269 . . . 1.0 . . . . . . . . . . . . B . 3 DT H4' . . . . . . . . . rr_1q2t 1 . 1 . 294 . 2 1 3 DT H5' H -4.050 6.108 0.138 . . . 1.0 . . . . . . . . . . . . B . 3 DT H5' . . . . . . . . . rr_1q2t 1 . 1 . 295 . 2 1 3 DT H5'' H -2.998 7.535 0.043 . . . 1.0 . . . . . . . . . . . . B . 3 DT H5'' . . . . . . . . . rr_1q2t 1 . 1 . 296 . 2 1 3 DT H6 H -3.472 6.243 -3.526 . . . 1.0 . . . . . . . . . . . . B . 3 DT H6 . . . . . . . . . rr_1q2t 1 . 1 . 297 . 2 1 3 DT H71 H -5.417 6.252 -6.685 . . . 1.0 . . . . . . . . . . . . B . 3 DT H71 . . . . . . . . . rr_1q2t 1 . 1 . 298 . 2 1 3 DT H72 H -4.590 7.493 -5.713 . . . 1.0 . . . . . . . . . . . . B . 3 DT H72 . . . . . . . . . rr_1q2t 1 . 1 . 299 . 2 1 3 DT H73 H -5.705 6.347 -4.932 . . . 1.0 . . . . . . . . . . . . B . 3 DT H73 . . . . . . . . . rr_1q2t 1 . 1 . 300 . 2 1 3 DT N1 N -2.114 4.685 -4.026 . . . 1.0 . . . . . . . . . . . . B . 3 DT N1 . . . . . . . . . rr_1q2t 1 . 1 . 301 . 2 1 3 DT N3 N -2.352 3.757 -6.168 . . . 1.0 . . . . . . . . . . . . B . 3 DT N3 . . . . . . . . . rr_1q2t 1 . 1 . 302 . 2 1 3 DT O2 O -0.729 3.009 -4.749 . . . 1.0 . . . . . . . . . . . . B . 3 DT O2 . . . . . . . . . rr_1q2t 1 . 1 . 303 . 2 1 3 DT O3' O 0.193 6.429 -0.294 . . . 1.0 . . . . . . . . . . . . B . 3 DT O3' . . . . . . . . . rr_1q2t 1 . 1 . 304 . 2 1 3 DT O4 O -3.941 4.482 -7.619 . . . 1.0 . . . . . . . . . . . . B . 3 DT O4 . . . . . . . . . rr_1q2t 1 . 1 . 305 . 2 1 3 DT O4' O -2.406 4.683 -1.638 . . . 1.0 . . . . . . . . . . . . B . 3 DT O4' . . . . . . . . . rr_1q2t 1 . 1 . 306 . 2 1 3 DT O5' O -3.921 6.992 -1.722 . . . 1.0 . . . . . . . . . . . . B . 3 DT O5' . . . . . . . . . rr_1q2t 1 . 1 . 307 . 2 1 3 DT OP1 O -4.272 9.322 -0.860 . . . 1.0 . . . . . . . . . . . . B . 3 DT OP1 . . . . . . . . . rr_1q2t 1 . 1 . 308 . 2 1 3 DT OP2 O -4.806 8.730 -3.294 . . . 1.0 . . . . . . . . . . . . B . 3 DT OP2 . . . . . . . . . rr_1q2t 1 . 1 . 309 . 2 1 3 DT P P -4.771 8.354 -1.863 . . . 1.0 . . . . . . . . . . . . B . 3 DT P . . . . . . . . . rr_1q2t 1 . 1 . 310 . 2 1 4 DC C1' C 1.683 3.029 3.225 . . . 1.0 . . . . . . . . . . . . B . 4 DC C1' . . . . . . . . . rr_1q2t 1 . 1 . 311 . 2 1 4 DC C2 C 0.912 1.379 1.575 . . . 1.0 . . . . . . . . . . . . B . 4 DC C2 . . . . . . . . . rr_1q2t 1 . 1 . 312 . 2 1 4 DC C2' C 3.107 3.560 3.295 . . . 1.0 . . . . . . . . . . . . B . 4 DC C2' . . . . . . . . . rr_1q2t 1 . 1 . 313 . 2 1 4 DC C3' C 3.032 4.951 3.868 . . . 1.0 . . . . . . . . . . . . B . 4 DC C3' . . . . . . . . . rr_1q2t 1 . 1 . 314 . 2 1 4 DC C4 C 0.615 2.043 -0.719 . . . 1.0 . . . . . . . . . . . . B . 4 DC C4 . . . . . . . . . rr_1q2t 1 . 1 . 315 . 2 1 4 DC C4' C 1.560 5.201 4.175 . . . 1.0 . . . . . . . . . . . . B . 4 DC C4' . . . . . . . . . rr_1q2t 1 . 1 . 316 . 2 1 4 DC C5 C 1.022 3.372 -0.433 . . . 1.0 . . . . . . . . . . . . B . 4 DC C5 . . . . . . . . . rr_1q2t 1 . 1 . 317 . 2 1 4 DC C5' C 1.060 6.460 3.468 . . . 1.0 . . . . . . . . . . . . B . 4 DC C5' . . . . . . . . . rr_1q2t 1 . 1 . 318 . 2 1 4 DC C6 C 1.361 3.655 0.845 . . . 1.0 . . . . . . . . . . . . B . 4 DC C6 . . . . . . . . . rr_1q2t 1 . 1 . 319 . 2 1 4 DC H1' H 1.604 2.135 3.840 . . . 1.0 . . . . . . . . . . . . B . 4 DC H1' . . . . . . . . . rr_1q2t 1 . 1 . 320 . 2 1 4 DC H2' H 3.543 3.591 2.296 . . . 1.0 . . . . . . . . . . . . B . 4 DC H2' . . . . . . . . . rr_1q2t 1 . 1 . 321 . 2 1 4 DC H2'' H 3.709 2.923 3.943 . . . 1.0 . . . . . . . . . . . . B . 4 DC H2'' . . . . . . . . . rr_1q2t 1 . 1 . 322 . 2 1 4 DC H3' H 3.379 5.671 3.122 . . . 1.0 . . . . . . . . . . . . B . 4 DC H3' . . . . . . . . . rr_1q2t 1 . 1 . 323 . 2 1 4 DC H4' H 1.439 5.328 5.250 . . . 1.0 . . . . . . . . . . . . B . 4 DC H4' . . . . . . . . . rr_1q2t 1 . 1 . 324 . 2 1 4 DC H41 H 0.316 2.322 -2.700 . . . 1.0 . . . . . . . . . . . . B . 4 DC H41 . . . . . . . . . rr_1q2t 1 . 1 . 325 . 2 1 4 DC H42 H 0.033 0.698 -2.120 . . . 1.0 . . . . . . . . . . . . B . 4 DC H42 . . . . . . . . . rr_1q2t 1 . 1 . 326 . 2 1 4 DC H5 H 1.060 4.134 -1.211 . . . 1.0 . . . . . . . . . . . . B . 4 DC H5 . . . . . . . . . rr_1q2t 1 . 1 . 327 . 2 1 4 DC H5' H 0.027 6.644 3.762 . . . 1.0 . . . . . . . . . . . . B . 4 DC H5' . . . . . . . . . rr_1q2t 1 . 1 . 328 . 2 1 4 DC H5'' H 1.673 7.307 3.775 . . . 1.0 . . . . . . . . . . . . B . 4 DC H5'' . . . . . . . . . rr_1q2t 1 . 1 . 329 . 2 1 4 DC H6 H 1.686 4.664 1.097 . . . 1.0 . . . . . . . . . . . . B . 4 DC H6 . . . . . . . . . rr_1q2t 1 . 1 . 330 . 2 1 4 DC N1 N 1.313 2.692 1.835 . . . 1.0 . . . . . . . . . . . . B . 4 DC N1 . . . . . . . . . rr_1q2t 1 . 1 . 331 . 2 1 4 DC N3 N 0.566 1.107 0.268 . . . 1.0 . . . . . . . . . . . . B . 4 DC N3 . . . . . . . . . rr_1q2t 1 . 1 . 332 . 2 1 4 DC N4 N 0.287 1.661 -1.944 . . . 1.0 . . . . . . . . . . . . B . 4 DC N4 . . . . . . . . . rr_1q2t 1 . 1 . 333 . 2 1 4 DC O2 O 0.871 0.512 2.447 . . . 1.0 . . . . . . . . . . . . B . 4 DC O2 . . . . . . . . . rr_1q2t 1 . 1 . 334 . 2 1 4 DC O3' O 3.829 5.054 5.054 . . . 1.0 . . . . . . . . . . . . B . 4 DC O3' . . . . . . . . . rr_1q2t 1 . 1 . 335 . 2 1 4 DC O4' O 0.804 4.045 3.753 . . . 1.0 . . . . . . . . . . . . B . 4 DC O4' . . . . . . . . . rr_1q2t 1 . 1 . 336 . 2 1 4 DC O5' O 1.123 6.331 2.042 . . . 1.0 . . . . . . . . . . . . B . 4 DC O5' . . . . . . . . . rr_1q2t 1 . 1 . 337 . 2 1 4 DC OP1 O -1.173 7.251 1.645 . . . 1.0 . . . . . . . . . . . . B . 4 DC OP1 . . . . . . . . . rr_1q2t 1 . 1 . 338 . 2 1 4 DC OP2 O 0.904 8.533 0.867 . . . 1.0 . . . . . . . . . . . . B . 4 DC OP2 . . . . . . . . . rr_1q2t 1 . 1 . 339 . 2 1 4 DC P P 0.201 7.251 1.094 . . . 1.0 . . . . . . . . . . . . B . 4 DC P . . . . . . . . . rr_1q2t 1 . 1 . 340 . 2 1 5 DT C1' C 7.550 5.663 2.891 . . . 1.0 . . . . . . . . . . . . B . 5 DT C1' . . . . . . . . . rr_1q2t 1 . 1 . 341 . 2 1 5 DT C2 C 7.310 6.540 0.616 . . . 1.0 . . . . . . . . . . . . B . 5 DT C2 . . . . . . . . . rr_1q2t 1 . 1 . 342 . 2 1 5 DT C2' C 8.874 6.165 3.440 . . . 1.0 . . . . . . . . . . . . B . 5 DT C2' . . . . . . . . . rr_1q2t 1 . 1 . 343 . 2 1 5 DT C3' C 8.798 6.049 4.939 . . . 1.0 . . . . . . . . . . . . B . 5 DT C3' . . . . . . . . . rr_1q2t 1 . 1 . 344 . 2 1 5 DT C4 C 5.860 8.476 0.131 . . . 1.0 . . . . . . . . . . . . B . 5 DT C4 . . . . . . . . . rr_1q2t 1 . 1 . 345 . 2 1 5 DT C4' C 7.369 5.632 5.256 . . . 1.0 . . . . . . . . . . . . B . 5 DT C4' . . . . . . . . . rr_1q2t 1 . 1 . 346 . 2 1 5 DT C5 C 5.558 8.509 1.546 . . . 1.0 . . . . . . . . . . . . B . 5 DT C5 . . . . . . . . . rr_1q2t 1 . 1 . 347 . 2 1 5 DT C5' C 6.671 6.700 6.097 . . . 1.0 . . . . . . . . . . . . B . 5 DT C5' . . . . . . . . . rr_1q2t 1 . 1 . 348 . 2 1 5 DT C6 C 6.107 7.617 2.395 . . . 1.0 . . . . . . . . . . . . B . 5 DT C6 . . . . . . . . . rr_1q2t 1 . 1 . 349 . 2 1 5 DT C7 C 4.600 9.567 2.087 . . . 1.0 . . . . . . . . . . . . B . 5 DT C7 . . . . . . . . . rr_1q2t 1 . 1 . 350 . 2 1 5 DT H1' H 7.716 4.723 2.365 . . . 1.0 . . . . . . . . . . . . B . 5 DT H1' . . . . . . . . . rr_1q2t 1 . 1 . 351 . 2 1 5 DT H2' H 9.024 7.207 3.156 . . . 1.0 . . . . . . . . . . . . B . 5 DT H2' . . . . . . . . . rr_1q2t 1 . 1 . 352 . 2 1 5 DT H2'' H 9.692 5.555 3.060 . . . 1.0 . . . . . . . . . . . . B . 5 DT H2'' . . . . . . . . . rr_1q2t 1 . 1 . 353 . 2 1 5 DT H3 H 6.977 7.404 -1.212 . . . 1.0 . . . . . . . . . . . . B . 5 DT H3 . . . . . . . . . rr_1q2t 1 . 1 . 354 . 2 1 5 DT H3' H 9.005 7.021 5.390 . . . 1.0 . . . . . . . . . . . . B . 5 DT H3' . . . . . . . . . rr_1q2t 1 . 1 . 355 . 2 1 5 DT H4' H 7.386 4.695 5.814 . . . 1.0 . . . . . . . . . . . . B . 5 DT H4' . . . . . . . . . rr_1q2t 1 . 1 . 356 . 2 1 5 DT H5' H 7.314 6.968 6.935 . . . 1.0 . . . . . . . . . . . . B . 5 DT H5' . . . . . . . . . rr_1q2t 1 . 1 . 357 . 2 1 5 DT H5'' H 6.504 7.583 5.482 . . . 1.0 . . . . . . . . . . . . B . 5 DT H5'' . . . . . . . . . rr_1q2t 1 . 1 . 358 . 2 1 5 DT H6 H 5.870 7.673 3.457 . . . 1.0 . . . . . . . . . . . . B . 5 DT H6 . . . . . . . . . rr_1q2t 1 . 1 . 359 . 2 1 5 DT H71 H 3.696 9.083 2.456 . . . 1.0 . . . . . . . . . . . . B . 5 DT H71 . . . . . . . . . rr_1q2t 1 . 1 . 360 . 2 1 5 DT H72 H 4.339 10.264 1.291 . . . 1.0 . . . . . . . . . . . . B . 5 DT H72 . . . . . . . . . rr_1q2t 1 . 1 . 361 . 2 1 5 DT H73 H 5.080 10.110 2.902 . . . 1.0 . . . . . . . . . . . . B . 5 DT H73 . . . . . . . . . rr_1q2t 1 . 1 . 362 . 2 1 5 DT N1 N 6.965 6.646 1.953 . . . 1.0 . . . . . . . . . . . . B . 5 DT N1 . . . . . . . . . rr_1q2t 1 . 1 . 363 . 2 1 5 DT N3 N 6.735 7.468 -0.233 . . . 1.0 . . . . . . . . . . . . B . 5 DT N3 . . . . . . . . . rr_1q2t 1 . 1 . 364 . 2 1 5 DT O2 O 8.088 5.681 0.204 . . . 1.0 . . . . . . . . . . . . B . 5 DT O2 . . . . . . . . . rr_1q2t 1 . 1 . 365 . 2 1 5 DT O3' O 9.732 5.074 5.419 . . . 1.0 . . . . . . . . . . . . B . 5 DT O3' . . . . . . . . . rr_1q2t 1 . 1 . 366 . 2 1 5 DT O4 O 5.407 9.247 -0.712 . . . 1.0 . . . . . . . . . . . . B . 5 DT O4 . . . . . . . . . rr_1q2t 1 . 1 . 367 . 2 1 5 DT O4' O 6.669 5.425 4.010 . . . 1.0 . . . . . . . . . . . . B . 5 DT O4' . . . . . . . . . rr_1q2t 1 . 1 . 368 . 2 1 5 DT O5' O 5.416 6.236 6.604 . . . 1.0 . . . . . . . . . . . . B . 5 DT O5' . . . . . . . . . rr_1q2t 1 . 1 . 369 . 2 1 5 DT OP1 O 2.953 6.671 6.753 . . . 1.0 . . . . . . . . . . . . B . 5 DT OP1 . . . . . . . . . rr_1q2t 1 . 1 . 370 . 2 1 5 DT OP2 O 4.304 7.496 4.739 . . . 1.0 . . . . . . . . . . . . B . 5 DT OP2 . . . . . . . . . rr_1q2t 1 . 1 . 371 . 2 1 5 DT P P 4.051 6.474 5.780 . . . 1.0 . . . . . . . . . . . . B . 5 DT P . . . . . . . . . rr_1q2t 1 . 1 . 372 . 2 1 6 DC C1' C 10.682 0.093 5.220 . . . 1.0 . . . . . . . . . . . . B . 6 DC C1' . . . . . . . . . rr_1q2t 1 . 1 . 373 . 2 1 6 DC C2 C 11.252 0.100 2.834 . . . 1.0 . . . . . . . . . . . . B . 6 DC C2 . . . . . . . . . rr_1q2t 1 . 1 . 374 . 2 1 6 DC C2' C 11.974 0.360 5.973 . . . 1.0 . . . . . . . . . . . . B . 6 DC C2' . . . . . . . . . rr_1q2t 1 . 1 . 375 . 2 1 6 DC C3' C 11.604 1.071 7.247 . . . 1.0 . . . . . . . . . . . . B . 6 DC C3' . . . . . . . . . rr_1q2t 1 . 1 . 376 . 2 1 6 DC C4 C 10.729 2.020 1.474 . . . 1.0 . . . . . . . . . . . . B . 6 DC C4 . . . . . . . . . rr_1q2t 1 . 1 . 377 . 2 1 6 DC C4' C 10.083 1.110 7.281 . . . 1.0 . . . . . . . . . . . . B . 6 DC C4' . . . . . . . . . rr_1q2t 1 . 1 . 378 . 2 1 6 DC C5 C 10.161 2.701 2.587 . . . 1.0 . . . . . . . . . . . . B . 6 DC C5 . . . . . . . . . rr_1q2t 1 . 1 . 379 . 2 1 6 DC C5' C 9.572 2.539 7.475 . . . 1.0 . . . . . . . . . . . . B . 6 DC C5' . . . . . . . . . rr_1q2t 1 . 1 . 380 . 2 1 6 DC C6 C 10.160 2.054 3.779 . . . 1.0 . . . . . . . . . . . . B . 6 DC C6 . . . . . . . . . rr_1q2t 1 . 1 . 381 . 2 1 6 DC H1' H 10.578 -0.979 5.056 . . . 1.0 . . . . . . . . . . . . B . 6 DC H1' . . . . . . . . . rr_1q2t 1 . 1 . 382 . 2 1 6 DC H2' H 12.631 0.989 5.376 . . . 1.0 . . . . . . . . . . . . B . 6 DC H2' . . . . . . . . . rr_1q2t 1 . 1 . 383 . 2 1 6 DC H2'' H 12.470 -0.583 6.204 . . . 1.0 . . . . . . . . . . . . B . 6 DC H2'' . . . . . . . . . rr_1q2t 1 . 1 . 384 . 2 1 6 DC H3' H 11.991 2.092 7.214 . . . 1.0 . . . . . . . . . . . . B . 6 DC H3' . . . . . . . . . rr_1q2t 1 . 1 . 385 . 2 1 6 DC H4' H 9.731 0.493 8.109 . . . 1.0 . . . . . . . . . . . . B . 6 DC H4' . . . . . . . . . rr_1q2t 1 . 1 . 386 . 2 1 6 DC H41 H 10.383 3.481 0.108 . . . 1.0 . . . . . . . . . . . . B . 6 DC H41 . . . . . . . . . rr_1q2t 1 . 1 . 387 . 2 1 6 DC H42 H 11.173 2.054 -0.512 . . . 1.0 . . . . . . . . . . . . B . 6 DC H42 . . . . . . . . . rr_1q2t 1 . 1 . 388 . 2 1 6 DC H5 H 9.745 3.701 2.486 . . . 1.0 . . . . . . . . . . . . B . 6 DC H5 . . . . . . . . . rr_1q2t 1 . 1 . 389 . 2 1 6 DC H5' H 8.724 2.704 6.810 . . . 1.0 . . . . . . . . . . . . B . 6 DC H5' . . . . . . . . . rr_1q2t 1 . 1 . 390 . 2 1 6 DC H5'' H 9.241 2.660 8.507 . . . 1.0 . . . . . . . . . . . . B . 6 DC H5'' . . . . . . . . . rr_1q2t 1 . 1 . 391 . 2 1 6 DC H6 H 9.736 2.550 4.653 . . . 1.0 . . . . . . . . . . . . B . 6 DC H6 . . . . . . . . . rr_1q2t 1 . 1 . 392 . 2 1 6 DC N1 N 10.690 0.784 3.912 . . . 1.0 . . . . . . . . . . . . B . 6 DC N1 . . . . . . . . . rr_1q2t 1 . 1 . 393 . 2 1 6 DC N3 N 11.247 0.768 1.628 . . . 1.0 . . . . . . . . . . . . B . 6 DC N3 . . . . . . . . . rr_1q2t 1 . 1 . 394 . 2 1 6 DC N4 N 10.765 2.563 0.258 . . . 1.0 . . . . . . . . . . . . B . 6 DC N4 . . . . . . . . . rr_1q2t 1 . 1 . 395 . 2 1 6 DC O2 O 11.719 -1.032 2.943 . . . 1.0 . . . . . . . . . . . . B . 6 DC O2 . . . . . . . . . rr_1q2t 1 . 1 . 396 . 2 1 6 DC O3' O 12.130 0.384 8.388 . . . 1.0 . . . . . . . . . . . . B . 6 DC O3' . . . . . . . . . rr_1q2t 1 . 1 . 397 . 2 1 6 DC O4' O 9.587 0.555 6.043 . . . 1.0 . . . . . . . . . . . . B . 6 DC O4' . . . . . . . . . rr_1q2t 1 . 1 . 398 . 2 1 6 DC O5' O 10.584 3.513 7.193 . . . 1.0 . . . . . . . . . . . . B . 6 DC O5' . . . . . . . . . rr_1q2t 1 . 1 . 399 . 2 1 6 DC OP1 O 9.025 5.379 7.807 . . . 1.0 . . . . . . . . . . . . B . 6 DC OP1 . . . . . . . . . rr_1q2t 1 . 1 . 400 . 2 1 6 DC OP2 O 11.433 5.867 7.077 . . . 1.0 . . . . . . . . . . . . B . 6 DC OP2 . . . . . . . . . rr_1q2t 1 . 1 . 401 . 2 1 6 DC P P 10.198 5.060 6.960 . . . 1.0 . . . . . . . . . . . . B . 6 DC P . . . . . . . . . rr_1q2t 1 . 1 . 402 . 2 1 7 DC C1' C 17.499 -0.814 4.983 . . . 1.0 . . . . . . . . . . . . B . 7 DC C1' . . . . . . . . . rr_1q2t 1 . 1 . 403 . 2 1 7 DC C2 C 17.912 -0.482 2.585 . . . 1.0 . . . . . . . . . . . . B . 7 DC C2 . . . . . . . . . rr_1q2t 1 . 1 . 404 . 2 1 7 DC C2' C 18.644 -0.620 5.964 . . . 1.0 . . . . . . . . . . . . B . 7 DC C2' . . . . . . . . . rr_1q2t 1 . 1 . 405 . 2 1 7 DC C3' C 18.030 -0.261 7.293 . . . 1.0 . . . . . . . . . . . . B . 7 DC C3' . . . . . . . . . rr_1q2t 1 . 1 . 406 . 2 1 7 DC C4 C 17.927 1.746 1.661 . . . 1.0 . . . . . . . . . . . . B . 7 DC C4 . . . . . . . . . rr_1q2t 1 . 1 . 407 . 2 1 7 DC C4' C 16.522 -0.310 7.087 . . . 1.0 . . . . . . . . . . . . B . 7 DC C4' . . . . . . . . . rr_1q2t 1 . 1 . 408 . 2 1 7 DC C5 C 17.645 2.318 2.933 . . . 1.0 . . . . . . . . . . . . B . 7 DC C5 . . . . . . . . . rr_1q2t 1 . 1 . 409 . 2 1 7 DC C5' C 15.870 0.999 7.527 . . . 1.0 . . . . . . . . . . . . B . 7 DC C5' . . . . . . . . . rr_1q2t 1 . 1 . 410 . 2 1 7 DC C6 C 17.509 1.466 3.983 . . . 1.0 . . . . . . . . . . . . B . 7 DC C6 . . . . . . . . . rr_1q2t 1 . 1 . 411 . 2 1 7 DC H1' H 17.505 -1.844 4.627 . . . 1.0 . . . . . . . . . . . . B . 7 DC H1' . . . . . . . . . rr_1q2t 1 . 1 . 412 . 2 1 7 DC H2' H 19.293 0.187 5.625 . . . 1.0 . . . . . . . . . . . . B . 7 DC H2' . . . . . . . . . rr_1q2t 1 . 1 . 413 . 2 1 7 DC H2'' H 19.215 -1.543 6.056 . . . 1.0 . . . . . . . . . . . . B . 7 DC H2'' . . . . . . . . . rr_1q2t 1 . 1 . 414 . 2 1 7 DC H3' H 18.329 0.753 7.568 . . . 1.0 . . . . . . . . . . . . B . 7 DC H3' . . . . . . . . . rr_1q2t 1 . 1 . 415 . 2 1 7 DC H4' H 16.110 -1.127 7.679 . . . 1.0 . . . . . . . . . . . . B . 7 DC H4' . . . . . . . . . rr_1q2t 1 . 1 . 416 . 2 1 7 DC H41 H 17.996 3.498 0.626 . . . 1.0 . . . . . . . . . . . . B . 7 DC H41 . . . . . . . . . rr_1q2t 1 . 1 . 417 . 2 1 7 DC H42 H 18.270 2.053 -0.322 . . . 1.0 . . . . . . . . . . . . B . 7 DC H42 . . . . . . . . . rr_1q2t 1 . 1 . 418 . 2 1 7 DC H5 H 17.530 3.396 3.056 . . . 1.0 . . . . . . . . . . . . B . 7 DC H5 . . . . . . . . . rr_1q2t 1 . 1 . 419 . 2 1 7 DC H5' H 16.211 1.246 8.533 . . . 1.0 . . . . . . . . . . . . B . 7 DC H5' . . . . . . . . . rr_1q2t 1 . 1 . 420 . 2 1 7 DC H5'' H 16.172 1.794 6.845 . . . 1.0 . . . . . . . . . . . . B . 7 DC H5'' . . . . . . . . . rr_1q2t 1 . 1 . 421 . 2 1 7 DC H6 H 17.295 1.871 4.972 . . . 1.0 . . . . . . . . . . . . B . 7 DC H6 . . . . . . . . . rr_1q2t 1 . 1 . 422 . 2 1 7 DC HO3' H 18.887 -0.674 8.990 . . . 1.0 . . . . . . . . . . . . B . 7 DC HO3' . . . . . . . . . rr_1q2t 1 . 1 . 423 . 2 1 7 DC N1 N 17.638 0.098 3.825 . . . 1.0 . . . . . . . . . . . . B . 7 DC N1 . . . . . . . . . rr_1q2t 1 . 1 . 424 . 2 1 7 DC N3 N 18.049 0.393 1.528 . . . 1.0 . . . . . . . . . . . . B . 7 DC N3 . . . . . . . . . rr_1q2t 1 . 1 . 425 . 2 1 7 DC N4 N 18.079 2.493 0.567 . . . 1.0 . . . . . . . . . . . . B . 7 DC N4 . . . . . . . . . rr_1q2t 1 . 1 . 426 . 2 1 7 DC O2 O 18.020 -1.698 2.434 . . . 1.0 . . . . . . . . . . . . B . 7 DC O2 . . . . . . . . . rr_1q2t 1 . 1 . 427 . 2 1 7 DC O3' O 18.437 -1.182 8.310 . . . 1.0 . . . . . . . . . . . . B . 7 DC O3' . . . . . . . . . rr_1q2t 1 . 1 . 428 . 2 1 7 DC O4' O 16.263 -0.567 5.689 . . . 1.0 . . . . . . . . . . . . B . 7 DC O4' . . . . . . . . . rr_1q2t 1 . 1 . 429 . 2 1 7 DC O5' O 14.442 0.901 7.527 . . . 1.0 . . . . . . . . . . . . B . 7 DC O5' . . . . . . . . . rr_1q2t 1 . 1 . 430 . 2 1 7 DC OP1 O 14.144 -0.571 9.532 . . . 1.0 . . . . . . . . . . . . B . 7 DC OP1 . . . . . . . . . rr_1q2t 1 . 1 . 431 . 2 1 7 DC OP2 O 13.631 1.936 9.660 . . . 1.0 . . . . . . . . . . . . B . 7 DC OP2 . . . . . . . . . rr_1q2t 1 . 1 . 432 . 2 1 7 DC P P 13.632 0.666 8.900 . . . 1.0 . . . . . . . . . . . . B . 7 DC P . . . . . . . . . rr_1q2t 1 . 1 . 433 . 3 1 1 MCY C1' C 14.446 -2.926 4.324 . . . 1.0 . . . . . . . . . . . . C . 1 MCY C1' . . . . . . . . . rr_1q2t 1 . 1 . 434 . 3 1 1 MCY C2 C 14.665 -1.286 2.514 . . . 1.0 . . . . . . . . . . . . C . 1 MCY C2 . . . . . . . . . rr_1q2t 1 . 1 . 435 . 3 1 1 MCY C2' C 13.118 -3.619 4.578 . . . 1.0 . . . . . . . . . . . . C . 1 MCY C2' . . . . . . . . . rr_1q2t 1 . 1 . 436 . 3 1 1 MCY C3' C 13.435 -5.014 5.047 . . . 1.0 . . . . . . . . . . . . C . 1 MCY C3' . . . . . . . . . rr_1q2t 1 . 1 . 437 . 3 1 1 MCY C4 C 14.797 -1.992 0.268 . . . 1.0 . . . . . . . . . . . . C . 1 MCY C4 . . . . . . . . . rr_1q2t 1 . 1 . 438 . 3 1 1 MCY C4' C 14.943 -5.049 5.264 . . . 1.0 . . . . . . . . . . . . C . 1 MCY C4' . . . . . . . . . rr_1q2t 1 . 1 . 439 . 3 1 1 MCY C5 C 14.732 -3.286 0.647 . . . 1.0 . . . . . . . . . . . . C . 1 MCY C5 . . . . . . . . . rr_1q2t 1 . 1 . 440 . 3 1 1 MCY C5' C 15.570 -6.246 4.551 . . . 1.0 . . . . . . . . . . . . C . 1 MCY C5' . . . . . . . . . rr_1q2t 1 . 1 . 441 . 3 1 1 MCY C5A C 14.772 -4.399 -0.399 . . . 1.0 . . . . . . . . . . . . C . 1 MCY C5A . . . . . . . . . rr_1q2t 1 . 1 . 442 . 3 1 1 MCY C6 C 14.632 -3.594 1.949 . . . 1.0 . . . . . . . . . . . . C . 1 MCY C6 . . . . . . . . . rr_1q2t 1 . 1 . 443 . 3 1 1 MCY H1' H 14.487 -2.002 4.899 . . . 1.0 . . . . . . . . . . . . C . 1 MCY H1' . . . . . . . . . rr_1q2t 1 . 1 . 444 . 3 1 1 MCY H2' H 12.535 -3.659 3.659 . . . 1.0 . . . . . . . . . . . . C . 1 MCY H2' . . . . . . . . . rr_1q2t 1 . 1 . 445 . 3 1 1 MCY H2'' H 12.562 -3.085 5.349 . . . 1.0 . . . . . . . . . . . . C . 1 MCY H2'' . . . . . . . . . rr_1q2t 1 . 1 . 446 . 3 1 1 MCY H3' H 13.164 -5.727 4.265 . . . 1.0 . . . . . . . . . . . . C . 1 MCY H3' . . . . . . . . . rr_1q2t 1 . 1 . 447 . 3 1 1 MCY H4' H 15.146 -5.125 6.332 . . . 1.0 . . . . . . . . . . . . C . 1 MCY H4' . . . . . . . . . rr_1q2t 1 . 1 . 448 . 3 1 1 MCY H5' H 16.654 -6.184 4.642 . . . 1.0 . . . . . . . . . . . . C . 1 MCY H5' . . . . . . . . . rr_1q2t 1 . 1 . 449 . 3 1 1 MCY H5'' H 15.225 -7.164 5.027 . . . 1.0 . . . . . . . . . . . . C . 1 MCY H5'' . . . . . . . . . rr_1q2t 1 . 1 . 450 . 3 1 1 MCY H5A1 H 13.758 -4.616 -0.736 . . . 1.0 . . . . . . . . . . . . C . 1 MCY H5A1 . . . . . . . . . rr_1q2t 1 . 1 . 451 . 3 1 1 MCY H5A2 H 15.209 -5.296 0.040 . . . 1.0 . . . . . . . . . . . . C . 1 MCY H5A2 . . . . . . . . . rr_1q2t 1 . 1 . 452 . 3 1 1 MCY H5A3 H 15.376 -4.081 -1.248 . . . 1.0 . . . . . . . . . . . . C . 1 MCY H5A3 . . . . . . . . . rr_1q2t 1 . 1 . 453 . 3 1 1 MCY H6 H 14.581 -4.639 2.256 . . . 1.0 . . . . . . . . . . . . C . 1 MCY H6 . . . . . . . . . rr_1q2t 1 . 1 . 454 . 3 1 1 MCY HN41 H 14.897 -2.395 -1.725 . . . 1.0 . . . . . . . . . . . . C . 1 MCY HN41 . . . . . . . . . rr_1q2t 1 . 1 . 455 . 3 1 1 MCY HN42 H 14.919 -0.700 -1.292 . . . 1.0 . . . . . . . . . . . . C . 1 MCY HN42 . . . . . . . . . rr_1q2t 1 . 1 . 456 . 3 1 1 MCY HO5' H 14.262 -6.266 3.114 . . . 1.0 . . . . . . . . . . . . C . 1 MCY HO5' . . . . . . . . . rr_1q2t 1 . 1 . 457 . 3 1 1 MCY N1 N 14.595 -2.612 2.887 . . . 1.0 . . . . . . . . . . . . C . 1 MCY N1 . . . . . . . . . rr_1q2t 1 . 1 . 458 . 3 1 1 MCY N3 N 14.766 -1.013 1.190 . . . 1.0 . . . . . . . . . . . . C . 1 MCY N3 . . . . . . . . . rr_1q2t 1 . 1 . 459 . 3 1 1 MCY N4 N 14.880 -1.671 -1.021 . . . 1.0 . . . . . . . . . . . . C . 1 MCY N4 . . . . . . . . . rr_1q2t 1 . 1 . 460 . 3 1 1 MCY O2 O 14.636 -0.393 3.359 . . . 1.0 . . . . . . . . . . . . C . 1 MCY O2 . . . . . . . . . rr_1q2t 1 . 1 . 461 . 3 1 1 MCY O3' O 12.726 -5.322 6.252 . . . 1.0 . . . . . . . . . . . . C . 1 MCY O3' . . . . . . . . . rr_1q2t 1 . 1 . 462 . 3 1 1 MCY O4' O 15.498 -3.810 4.769 . . . 1.0 . . . . . . . . . . . . C . 1 MCY O4' . . . . . . . . . rr_1q2t 1 . 1 . 463 . 3 1 1 MCY O5' O 15.219 -6.278 3.165 . . . 1.0 . . . . . . . . . . . . C . 1 MCY O5' . . . . . . . . . rr_1q2t 1 . 1 . 464 . 3 1 2 DC C1' C 7.397 -2.670 3.791 . . . 1.0 . . . . . . . . . . . . C . 2 DC C1' . . . . . . . . . rr_1q2t 1 . 1 . 465 . 3 1 2 DC C2 C 7.414 -1.280 1.762 . . . 1.0 . . . . . . . . . . . . C . 2 DC C2 . . . . . . . . . rr_1q2t 1 . 1 . 466 . 3 1 2 DC C2' C 6.353 -3.616 4.358 . . . 1.0 . . . . . . . . . . . . C . 2 DC C2' . . . . . . . . . rr_1q2t 1 . 1 . 467 . 3 1 2 DC C3' C 7.087 -4.762 4.993 . . . 1.0 . . . . . . . . . . . . C . 2 DC C3' . . . . . . . . . rr_1q2t 1 . 1 . 468 . 3 1 2 DC C4 C 7.051 -2.217 -0.363 . . . 1.0 . . . . . . . . . . . . C . 2 DC C4 . . . . . . . . . rr_1q2t 1 . 1 . 469 . 3 1 2 DC C4' C 8.564 -4.402 4.919 . . . 1.0 . . . . . . . . . . . . C . 2 DC C4' . . . . . . . . . rr_1q2t 1 . 1 . 470 . 3 1 2 DC C5 C 6.892 -3.512 0.204 . . . 1.0 . . . . . . . . . . . . C . 2 DC C5 . . . . . . . . . rr_1q2t 1 . 1 . 471 . 3 1 2 DC C5' C 9.374 -5.537 4.294 . . . 1.0 . . . . . . . . . . . . C . 2 DC C5' . . . . . . . . . rr_1q2t 1 . 1 . 472 . 3 1 2 DC C6 C 7.010 -3.636 1.538 . . . 1.0 . . . . . . . . . . . . C . 2 DC C6 . . . . . . . . . rr_1q2t 1 . 1 . 473 . 3 1 2 DC H1' H 7.263 -1.689 4.244 . . . 1.0 . . . . . . . . . . . . C . 2 DC H1' . . . . . . . . . rr_1q2t 1 . 1 . 474 . 3 1 2 DC H2' H 5.714 -3.987 3.562 . . . 1.0 . . . . . . . . . . . . C . 2 DC H2' . . . . . . . . . rr_1q2t 1 . 1 . 475 . 3 1 2 DC H2'' H 5.755 -3.099 5.108 . . . 1.0 . . . . . . . . . . . . C . 2 DC H2'' . . . . . . . . . rr_1q2t 1 . 1 . 476 . 3 1 2 DC H3' H 6.896 -5.671 4.415 . . . 1.0 . . . . . . . . . . . . C . 2 DC H3' . . . . . . . . . rr_1q2t 1 . 1 . 477 . 3 1 2 DC H4' H 8.932 -4.219 5.928 . . . 1.0 . . . . . . . . . . . . C . 2 DC H4' . . . . . . . . . rr_1q2t 1 . 1 . 478 . 3 1 2 DC H41 H 7.088 -1.145 -2.091 . . . 1.0 . . . . . . . . . . . . C . 2 DC H41 . . . . . . . . . rr_1q2t 1 . 1 . 479 . 3 1 2 DC H42 H 6.852 -2.872 -2.287 . . . 1.0 . . . . . . . . . . . . C . 2 DC H42 . . . . . . . . . rr_1q2t 1 . 1 . 480 . 3 1 2 DC H5 H 6.634 -4.360 -0.417 . . . 1.0 . . . . . . . . . . . . C . 2 DC H5 . . . . . . . . . rr_1q2t 1 . 1 . 481 . 3 1 2 DC H5' H 8.954 -6.492 4.610 . . . 1.0 . . . . . . . . . . . . C . 2 DC H5' . . . . . . . . . rr_1q2t 1 . 1 . 482 . 3 1 2 DC H5'' H 9.311 -5.462 3.209 . . . 1.0 . . . . . . . . . . . . C . 2 DC H5'' . . . . . . . . . rr_1q2t 1 . 1 . 483 . 3 1 2 DC H6 H 6.905 -4.618 1.998 . . . 1.0 . . . . . . . . . . . . C . 2 DC H6 . . . . . . . . . rr_1q2t 1 . 1 . 484 . 3 1 2 DC N1 N 7.266 -2.545 2.319 . . . 1.0 . . . . . . . . . . . . C . 2 DC N1 . . . . . . . . . rr_1q2t 1 . 1 . 485 . 3 1 2 DC N3 N 7.301 -1.154 0.412 . . . 1.0 . . . . . . . . . . . . C . 2 DC N3 . . . . . . . . . rr_1q2t 1 . 1 . 486 . 3 1 2 DC N4 N 6.998 -2.067 -1.688 . . . 1.0 . . . . . . . . . . . . C . 2 DC N4 . . . . . . . . . rr_1q2t 1 . 1 . 487 . 3 1 2 DC O2 O 7.637 -0.306 2.479 . . . 1.0 . . . . . . . . . . . . C . 2 DC O2 . . . . . . . . . rr_1q2t 1 . 1 . 488 . 3 1 2 DC O3' O 6.678 -4.951 6.355 . . . 1.0 . . . . . . . . . . . . C . 2 DC O3' . . . . . . . . . rr_1q2t 1 . 1 . 489 . 3 1 2 DC O4' O 8.697 -3.188 4.146 . . . 1.0 . . . . . . . . . . . . C . 2 DC O4' . . . . . . . . . rr_1q2t 1 . 1 . 490 . 3 1 2 DC O5' O 10.751 -5.478 4.688 . . . 1.0 . . . . . . . . . . . . C . 2 DC O5' . . . . . . . . . rr_1q2t 1 . 1 . 491 . 3 1 2 DC OP1 O 10.398 -5.029 7.131 . . . 1.0 . . . . . . . . . . . . C . 2 DC OP1 . . . . . . . . . rr_1q2t 1 . 1 . 492 . 3 1 2 DC OP2 O 11.213 -7.320 6.327 . . . 1.0 . . . . . . . . . . . . C . 2 DC OP2 . . . . . . . . . rr_1q2t 1 . 1 . 493 . 3 1 2 DC P P 11.201 -5.846 6.194 . . . 1.0 . . . . . . . . . . . . C . 2 DC P . . . . . . . . . rr_1q2t 1 . 1 . 494 . 3 1 3 DT C1' C 3.904 -0.508 4.863 . . . 1.0 . . . . . . . . . . . . C . 3 DT C1' . . . . . . . . . rr_1q2t 1 . 1 . 495 . 3 1 3 DT C2 C 4.241 -0.144 2.461 . . . 1.0 . . . . . . . . . . . . C . 3 DT C2 . . . . . . . . . rr_1q2t 1 . 1 . 496 . 3 1 3 DT C2' C 2.442 -0.302 5.232 . . . 1.0 . . . . . . . . . . . . C . 3 DT C2' . . . . . . . . . rr_1q2t 1 . 1 . 497 . 3 1 3 DT C3' C 2.156 -1.188 6.416 . . . 1.0 . . . . . . . . . . . . C . 3 DT C3' . . . . . . . . . rr_1q2t 1 . 1 . 498 . 3 1 3 DT C4 C 4.146 -2.009 0.853 . . . 1.0 . . . . . . . . . . . . C . 3 DT C4 . . . . . . . . . rr_1q2t 1 . 1 . 499 . 3 1 3 DT C4' C 3.493 -1.795 6.818 . . . 1.0 . . . . . . . . . . . . C . 3 DT C4' . . . . . . . . . rr_1q2t 1 . 1 . 500 . 3 1 3 DT C5 C 3.928 -2.880 1.989 . . . 1.0 . . . . . . . . . . . . C . 3 DT C5 . . . . . . . . . rr_1q2t 1 . 1 . 501 . 3 1 3 DT C5' C 3.389 -3.313 6.932 . . . 1.0 . . . . . . . . . . . . C . 3 DT C5' . . . . . . . . . rr_1q2t 1 . 1 . 502 . 3 1 3 DT C6 C 3.875 -2.383 3.245 . . . 1.0 . . . . . . . . . . . . C . 3 DT C6 . . . . . . . . . rr_1q2t 1 . 1 . 503 . 3 1 3 DT C7 C 3.761 -4.383 1.764 . . . 1.0 . . . . . . . . . . . . C . 3 DT C7 . . . . . . . . . rr_1q2t 1 . 1 . 504 . 3 1 3 DT H1' H 4.427 0.446 4.920 . . . 1.0 . . . . . . . . . . . . C . 3 DT H1' . . . . . . . . . rr_1q2t 1 . 1 . 505 . 3 1 3 DT H2' H 1.802 -0.581 4.395 . . . 1.0 . . . . . . . . . . . . C . 3 DT H2' . . . . . . . . . rr_1q2t 1 . 1 . 506 . 3 1 3 DT H2'' H 2.270 0.739 5.502 . . . 1.0 . . . . . . . . . . . . C . 3 DT H2'' . . . . . . . . . rr_1q2t 1 . 1 . 507 . 3 1 3 DT H3 H 4.478 -0.040 0.429 . . . 1.0 . . . . . . . . . . . . C . 3 DT H3 . . . . . . . . . rr_1q2t 1 . 1 . 508 . 3 1 3 DT H3' H 1.470 -1.983 6.115 . . . 1.0 . . . . . . . . . . . . C . 3 DT H3' . . . . . . . . . rr_1q2t 1 . 1 . 509 . 3 1 3 DT H4' H 3.792 -1.387 7.783 . . . 1.0 . . . . . . . . . . . . C . 3 DT H4' . . . . . . . . . rr_1q2t 1 . 1 . 510 . 3 1 3 DT H5' H 2.615 -3.563 7.659 . . . 1.0 . . . . . . . . . . . . C . 3 DT H5' . . . . . . . . . rr_1q2t 1 . 1 . 511 . 3 1 3 DT H5'' H 3.110 -3.725 5.962 . . . 1.0 . . . . . . . . . . . . C . 3 DT H5'' . . . . . . . . . rr_1q2t 1 . 1 . 512 . 3 1 3 DT H6 H 3.743 -3.064 4.087 . . . 1.0 . . . . . . . . . . . . C . 3 DT H6 . . . . . . . . . rr_1q2t 1 . 1 . 513 . 3 1 3 DT H71 H 4.615 -4.912 2.186 . . . 1.0 . . . . . . . . . . . . C . 3 DT H71 . . . . . . . . . rr_1q2t 1 . 1 . 514 . 3 1 3 DT H72 H 3.702 -4.587 0.695 . . . 1.0 . . . . . . . . . . . . C . 3 DT H72 . . . . . . . . . rr_1q2t 1 . 1 . 515 . 3 1 3 DT H73 H 2.847 -4.724 2.250 . . . 1.0 . . . . . . . . . . . . C . 3 DT H73 . . . . . . . . . rr_1q2t 1 . 1 . 516 . 3 1 3 DT N1 N 4.021 -1.045 3.489 . . . 1.0 . . . . . . . . . . . . C . 3 DT N1 . . . . . . . . . rr_1q2t 1 . 1 . 517 . 3 1 3 DT N3 N 4.294 -0.679 1.186 . . . 1.0 . . . . . . . . . . . . C . 3 DT N3 . . . . . . . . . rr_1q2t 1 . 1 . 518 . 3 1 3 DT O2 O 4.389 1.059 2.661 . . . 1.0 . . . . . . . . . . . . C . 3 DT O2 . . . . . . . . . rr_1q2t 1 . 1 . 519 . 3 1 3 DT O3' O 1.588 -0.434 7.494 . . . 1.0 . . . . . . . . . . . . C . 3 DT O3' . . . . . . . . . rr_1q2t 1 . 1 . 520 . 3 1 3 DT O4 O 4.183 -2.361 -0.325 . . . 1.0 . . . . . . . . . . . . C . 3 DT O4 . . . . . . . . . rr_1q2t 1 . 1 . 521 . 3 1 3 DT O4' O 4.477 -1.421 5.826 . . . 1.0 . . . . . . . . . . . . C . 3 DT O4' . . . . . . . . . rr_1q2t 1 . 1 . 522 . 3 1 3 DT O5' O 4.628 -3.893 7.352 . . . 1.0 . . . . . . . . . . . . C . 3 DT O5' . . . . . . . . . rr_1q2t 1 . 1 . 523 . 3 1 3 DT OP1 O 5.146 -6.301 7.808 . . . 1.0 . . . . . . . . . . . . C . 3 DT OP1 . . . . . . . . . rr_1q2t 1 . 1 . 524 . 3 1 3 DT OP2 O 4.400 -5.545 5.476 . . . 1.0 . . . . . . . . . . . . C . 3 DT OP2 . . . . . . . . . rr_1q2t 1 . 1 . 525 . 3 1 3 DT P P 5.145 -5.287 6.730 . . . 1.0 . . . . . . . . . . . . C . 3 DT P . . . . . . . . . rr_1q2t 1 . 1 . 526 . 3 1 4 DC C1' C -1.491 1.955 4.225 . . . 1.0 . . . . . . . . . . . . C . 4 DC C1' . . . . . . . . . rr_1q2t 1 . 1 . 527 . 3 1 4 DC C2 C -1.908 1.273 1.896 . . . 1.0 . . . . . . . . . . . . C . 4 DC C2 . . . . . . . . . rr_1q2t 1 . 1 . 528 . 3 1 4 DC C2' C -2.696 2.687 4.772 . . . 1.0 . . . . . . . . . . . . C . 4 DC C2' . . . . . . . . . rr_1q2t 1 . 1 . 529 . 3 1 4 DC C3' C -2.838 2.283 6.216 . . . 1.0 . . . . . . . . . . . . C . 4 DC C3' . . . . . . . . . rr_1q2t 1 . 1 . 530 . 3 1 4 DC C4 C -2.425 -0.957 1.370 . . . 1.0 . . . . . . . . . . . . C . 4 DC C4 . . . . . . . . . rr_1q2t 1 . 1 . 531 . 3 1 4 DC C4' C -1.587 1.483 6.550 . . . 1.0 . . . . . . . . . . . . C . 4 DC C4' . . . . . . . . . rr_1q2t 1 . 1 . 532 . 3 1 4 DC C5 C -2.435 -1.302 2.736 . . . 1.0 . . . . . . . . . . . . C . 4 DC C5 . . . . . . . . . rr_1q2t 1 . 1 . 533 . 3 1 4 DC C5' C -1.951 0.118 7.134 . . . 1.0 . . . . . . . . . . . . C . 4 DC C5' . . . . . . . . . rr_1q2t 1 . 1 . 534 . 3 1 4 DC C6 C -2.170 -0.346 3.642 . . . 1.0 . . . . . . . . . . . . C . 4 DC C6 . . . . . . . . . rr_1q2t 1 . 1 . 535 . 3 1 4 DC H1' H -0.824 2.669 3.744 . . . 1.0 . . . . . . . . . . . . C . 4 DC H1' . . . . . . . . . rr_1q2t 1 . 1 . 536 . 3 1 4 DC H2' H -3.579 2.400 4.218 . . . 1.0 . . . . . . . . . . . . C . 4 DC H2' . . . . . . . . . rr_1q2t 1 . 1 . 537 . 3 1 4 DC H2'' H -2.544 3.764 4.699 . . . 1.0 . . . . . . . . . . . . C . 4 DC H2'' . . . . . . . . . rr_1q2t 1 . 1 . 538 . 3 1 4 DC H3' H -3.726 1.648 6.327 . . . 1.0 . . . . . . . . . . . . C . 4 DC H3' . . . . . . . . . rr_1q2t 1 . 1 . 539 . 3 1 4 DC H4' H -1.000 2.035 7.284 . . . 1.0 . . . . . . . . . . . . C . 4 DC H4' . . . . . . . . . rr_1q2t 1 . 1 . 540 . 3 1 4 DC H41 H -2.567 -1.704 -0.531 . . . 1.0 . . . . . . . . . . . . C . 4 DC H41 . . . . . . . . . rr_1q2t 1 . 1 . 541 . 3 1 4 DC H42 H -2.760 -2.875 0.756 . . . 1.0 . . . . . . . . . . . . C . 4 DC H42 . . . . . . . . . rr_1q2t 1 . 1 . 542 . 3 1 4 DC H5 H -2.651 -2.304 3.029 . . . 1.0 . . . . . . . . . . . . C . 4 DC H5 . . . . . . . . . rr_1q2t 1 . 1 . 543 . 3 1 4 DC H5' H -2.222 0.242 8.183 . . . 1.0 . . . . . . . . . . . . C . 4 DC H5' . . . . . . . . . rr_1q2t 1 . 1 . 544 . 3 1 4 DC H5'' H -2.807 -0.285 6.593 . . . 1.0 . . . . . . . . . . . . C . 4 DC H5'' . . . . . . . . . rr_1q2t 1 . 1 . 545 . 3 1 4 DC H6 H -2.187 -0.588 4.707 . . . 1.0 . . . . . . . . . . . . C . 4 DC H6 . . . . . . . . . rr_1q2t 1 . 1 . 546 . 3 1 4 DC N1 N -1.897 0.927 3.242 . . . 1.0 . . . . . . . . . . . . C . 4 DC N1 . . . . . . . . . rr_1q2t 1 . 1 . 547 . 3 1 4 DC N3 N -2.175 0.298 0.984 . . . 1.0 . . . . . . . . . . . . C . 4 DC N3 . . . . . . . . . rr_1q2t 1 . 1 . 548 . 3 1 4 DC N4 N -2.612 -1.921 0.458 . . . 1.0 . . . . . . . . . . . . C . 4 DC N4 . . . . . . . . . rr_1q2t 1 . 1 . 549 . 3 1 4 DC O2 O -1.704 2.436 1.549 . . . 1.0 . . . . . . . . . . . . C . 4 DC O2 . . . . . . . . . rr_1q2t 1 . 1 . 550 . 3 1 4 DC O3' O -2.941 3.434 7.062 . . . 1.0 . . . . . . . . . . . . C . 4 DC O3' . . . . . . . . . rr_1q2t 1 . 1 . 551 . 3 1 4 DC O4' O -0.808 1.340 5.341 . . . 1.0 . . . . . . . . . . . . C . 4 DC O4' . . . . . . . . . rr_1q2t 1 . 1 . 552 . 3 1 4 DC O5' O -0.861 -0.807 7.038 . . . 1.0 . . . . . . . . . . . . C . 4 DC O5' . . . . . . . . . rr_1q2t 1 . 1 . 553 . 3 1 4 DC OP1 O -0.108 0.056 9.273 . . . 1.0 . . . . . . . . . . . . C . 4 DC OP1 . . . . . . . . . rr_1q2t 1 . 1 . 554 . 3 1 4 DC OP2 O 0.386 -2.356 8.564 . . . 1.0 . . . . . . . . . . . . C . 4 DC OP2 . . . . . . . . . rr_1q2t 1 . 1 . 555 . 3 1 4 DC P P 0.234 -0.925 8.218 . . . 1.0 . . . . . . . . . . . . C . 4 DC P . . . . . . . . . rr_1q2t 1 . 1 . 556 . 3 1 5 DT C1' C -5.262 4.513 2.719 . . . 1.0 . . . . . . . . . . . . C . 5 DT C1' . . . . . . . . . rr_1q2t 1 . 1 . 557 . 3 1 5 DT C2 C -5.142 2.582 1.208 . . . 1.0 . . . . . . . . . . . . C . 5 DT C2 . . . . . . . . . rr_1q2t 1 . 1 . 558 . 3 1 5 DT C2' C -6.580 5.232 2.515 . . . 1.0 . . . . . . . . . . . . C . 5 DT C2' . . . . . . . . . rr_1q2t 1 . 1 . 559 . 3 1 5 DT C3' C -7.029 5.720 3.867 . . . 1.0 . . . . . . . . . . . . C . 5 DT C3' . . . . . . . . . rr_1q2t 1 . 1 . 560 . 3 1 5 DT C4 C -5.435 0.277 2.025 . . . 1.0 . . . . . . . . . . . . C . 5 DT C4 . . . . . . . . . rr_1q2t 1 . 1 . 561 . 3 1 5 DT C4' C -5.878 5.435 4.818 . . . 1.0 . . . . . . . . . . . . C . 5 DT C4' . . . . . . . . . rr_1q2t 1 . 1 . 562 . 3 1 5 DT C5 C -5.671 0.843 3.327 . . . 1.0 . . . . . . . . . . . . C . 5 DT C5 . . . . . . . . . rr_1q2t 1 . 1 . 563 . 3 1 5 DT C5' C -6.347 4.573 5.991 . . . 1.0 . . . . . . . . . . . . C . 5 DT C5' . . . . . . . . . rr_1q2t 1 . 1 . 564 . 3 1 5 DT C6 C -5.643 2.179 3.524 . . . 1.0 . . . . . . . . . . . . C . 5 DT C6 . . . . . . . . . rr_1q2t 1 . 1 . 565 . 3 1 5 DT C7 C -5.919 -0.090 4.505 . . . 1.0 . . . . . . . . . . . . C . 5 DT C7 . . . . . . . . . rr_1q2t 1 . 1 . 566 . 3 1 5 DT H1' H -4.538 4.922 2.015 . . . 1.0 . . . . . . . . . . . . C . 5 DT H1' . . . . . . . . . rr_1q2t 1 . 1 . 567 . 3 1 5 DT H2' H -7.314 4.560 2.096 . . . 1.0 . . . . . . . . . . . . C . 5 DT H2' . . . . . . . . . rr_1q2t 1 . 1 . 568 . 3 1 5 DT H2'' H -6.437 6.081 1.850 . . . 1.0 . . . . . . . . . . . . C . 5 DT H2'' . . . . . . . . . rr_1q2t 1 . 1 . 569 . 3 1 5 DT H3 H -5.018 0.855 0.126 . . . 1.0 . . . . . . . . . . . . C . 5 DT H3 . . . . . . . . . rr_1q2t 1 . 1 . 570 . 3 1 5 DT H3' H -7.914 5.157 4.181 . . . 1.0 . . . . . . . . . . . . C . 5 DT H3' . . . . . . . . . rr_1q2t 1 . 1 . 571 . 3 1 5 DT H4' H -5.496 6.381 5.204 . . . 1.0 . . . . . . . . . . . . C . 5 DT H4' . . . . . . . . . rr_1q2t 1 . 1 . 572 . 3 1 5 DT H5' H -6.575 5.221 6.838 . . . 1.0 . . . . . . . . . . . . C . 5 DT H5' . . . . . . . . . rr_1q2t 1 . 1 . 573 . 3 1 5 DT H5'' H -7.251 4.037 5.702 . . . 1.0 . . . . . . . . . . . . C . 5 DT H5'' . . . . . . . . . rr_1q2t 1 . 1 . 574 . 3 1 5 DT H6 H -5.824 2.573 4.525 . . . 1.0 . . . . . . . . . . . . C . 5 DT H6 . . . . . . . . . rr_1q2t 1 . 1 . 575 . 3 1 5 DT H71 H -6.934 0.052 4.874 . . . 1.0 . . . . . . . . . . . . C . 5 DT H71 . . . . . . . . . rr_1q2t 1 . 1 . 576 . 3 1 5 DT H72 H -5.208 0.133 5.301 . . . 1.0 . . . . . . . . . . . . C . 5 DT H72 . . . . . . . . . rr_1q2t 1 . 1 . 577 . 3 1 5 DT H73 H -5.790 -1.124 4.184 . . . 1.0 . . . . . . . . . . . . C . 5 DT H73 . . . . . . . . . rr_1q2t 1 . 1 . 578 . 3 1 5 DT N1 N -5.378 3.048 2.490 . . . 1.0 . . . . . . . . . . . . C . 5 DT N1 . . . . . . . . . rr_1q2t 1 . 1 . 579 . 3 1 5 DT N3 N -5.185 1.210 1.046 . . . 1.0 . . . . . . . . . . . . C . 5 DT N3 . . . . . . . . . rr_1q2t 1 . 1 . 580 . 3 1 5 DT O2 O -4.906 3.336 0.266 . . . 1.0 . . . . . . . . . . . . C . 5 DT O2 . . . . . . . . . rr_1q2t 1 . 1 . 581 . 3 1 5 DT O3' O -7.324 7.121 3.833 . . . 1.0 . . . . . . . . . . . . C . 5 DT O3' . . . . . . . . . rr_1q2t 1 . 1 . 582 . 3 1 5 DT O4 O -5.438 -0.923 1.758 . . . 1.0 . . . . . . . . . . . . C . 5 DT O4 . . . . . . . . . rr_1q2t 1 . 1 . 583 . 3 1 5 DT O4' O -4.828 4.776 4.071 . . . 1.0 . . . . . . . . . . . . C . 5 DT O4' . . . . . . . . . rr_1q2t 1 . 1 . 584 . 3 1 5 DT O5' O -5.352 3.624 6.383 . . . 1.0 . . . . . . . . . . . . C . 5 DT O5' . . . . . . . . . rr_1q2t 1 . 1 . 585 . 3 1 5 DT OP1 O -4.305 5.392 7.820 . . . 1.0 . . . . . . . . . . . . C . 5 DT OP1 . . . . . . . . . rr_1q2t 1 . 1 . 586 . 3 1 5 DT OP2 O -4.755 3.045 8.745 . . . 1.0 . . . . . . . . . . . . C . 5 DT OP2 . . . . . . . . . rr_1q2t 1 . 1 . 587 . 3 1 5 DT P P -4.368 3.926 7.621 . . . 1.0 . . . . . . . . . . . . C . 5 DT P . . . . . . . . . rr_1q2t 1 . 1 . 588 . 3 1 6 DC C1' C -11.818 4.464 0.751 . . . 1.0 . . . . . . . . . . . . C . 6 DC C1' . . . . . . . . . rr_1q2t 1 . 1 . 589 . 3 1 6 DC C2 C -11.400 2.053 0.664 . . . 1.0 . . . . . . . . . . . . C . 6 DC C2 . . . . . . . . . rr_1q2t 1 . 1 . 590 . 3 1 6 DC C2' C -13.219 4.979 1.047 . . . 1.0 . . . . . . . . . . . . C . 6 DC C2' . . . . . . . . . rr_1q2t 1 . 1 . 591 . 3 1 6 DC C3' C -13.068 6.293 1.763 . . . 1.0 . . . . . . . . . . . . C . 6 DC C3' . . . . . . . . . rr_1q2t 1 . 1 . 592 . 3 1 6 DC C4 C -11.209 0.778 2.629 . . . 1.0 . . . . . . . . . . . . C . 6 DC C4 . . . . . . . . . rr_1q2t 1 . 1 . 593 . 3 1 6 DC C4' C -11.575 6.574 1.816 . . . 1.0 . . . . . . . . . . . . C . 6 DC C4' . . . . . . . . . rr_1q2t 1 . 1 . 594 . 3 1 6 DC C5 C -11.395 1.941 3.438 . . . 1.0 . . . . . . . . . . . . C . 6 DC C5 . . . . . . . . . rr_1q2t 1 . 1 . 595 . 3 1 6 DC C5' C -11.118 6.766 3.260 . . . 1.0 . . . . . . . . . . . . C . 6 DC C5' . . . . . . . . . rr_1q2t 1 . 1 . 596 . 3 1 6 DC C6 C -11.585 3.113 2.811 . . . 1.0 . . . . . . . . . . . . C . 6 DC C6 . . . . . . . . . rr_1q2t 1 . 1 . 597 . 3 1 6 DC H1' H -11.699 4.311 -0.329 . . . 1.0 . . . . . . . . . . . . C . 6 DC H1' . . . . . . . . . rr_1q2t 1 . 1 . 598 . 3 1 6 DC H2' H -13.750 4.270 1.683 . . . 1.0 . . . . . . . . . . . . C . 6 DC H2' . . . . . . . . . rr_1q2t 1 . 1 . 599 . 3 1 6 DC H2'' H -13.767 5.125 0.122 . . . 1.0 . . . . . . . . . . . . C . 6 DC H2'' . . . . . . . . . rr_1q2t 1 . 1 . 600 . 3 1 6 DC H3' H -13.457 6.198 2.779 . . . 1.0 . . . . . . . . . . . . C . 6 DC H3' . . . . . . . . . rr_1q2t 1 . 1 . 601 . 3 1 6 DC H4' H -11.364 7.483 1.252 . . . 1.0 . . . . . . . . . . . . C . 6 DC H4' . . . . . . . . . rr_1q2t 1 . 1 . 602 . 3 1 6 DC H41 H -10.918 -1.234 2.634 . . . 1.0 . . . . . . . . . . . . C . 6 DC H41 . . . . . . . . . rr_1q2t 1 . 1 . 603 . 3 1 6 DC H42 H -11.048 -0.491 4.214 . . . 1.0 . . . . . . . . . . . . C . 6 DC H42 . . . . . . . . . rr_1q2t 1 . 1 . 604 . 3 1 6 DC H5 H -11.363 1.885 4.526 . . . 1.0 . . . . . . . . . . . . C . 6 DC H5 . . . . . . . . . rr_1q2t 1 . 1 . 605 . 3 1 6 DC H5' H -11.331 7.791 3.568 . . . 1.0 . . . . . . . . . . . . C . 6 DC H5' . . . . . . . . . rr_1q2t 1 . 1 . 606 . 3 1 6 DC H5'' H -11.669 6.081 3.903 . . . 1.0 . . . . . . . . . . . . C . 6 DC H5'' . . . . . . . . . rr_1q2t 1 . 1 . 607 . 3 1 6 DC H6 H -11.760 4.012 3.400 . . . 1.0 . . . . . . . . . . . . C . 6 DC H6 . . . . . . . . . rr_1q2t 1 . 1 . 608 . 3 1 6 DC N1 N -11.589 3.182 1.446 . . . 1.0 . . . . . . . . . . . . C . 6 DC N1 . . . . . . . . . rr_1q2t 1 . 1 . 609 . 3 1 6 DC N3 N -11.214 0.861 1.292 . . . 1.0 . . . . . . . . . . . . C . 6 DC N3 . . . . . . . . . rr_1q2t 1 . 1 . 610 . 3 1 6 DC N4 N -11.043 -0.411 3.207 . . . 1.0 . . . . . . . . . . . . C . 6 DC N4 . . . . . . . . . rr_1q2t 1 . 1 . 611 . 3 1 6 DC O2 O -11.394 2.140 -0.565 . . . 1.0 . . . . . . . . . . . . C . 6 DC O2 . . . . . . . . . rr_1q2t 1 . 1 . 612 . 3 1 6 DC O3' O -13.762 7.338 1.072 . . . 1.0 . . . . . . . . . . . . C . 6 DC O3' . . . . . . . . . rr_1q2t 1 . 1 . 613 . 3 1 6 DC O4' O -10.879 5.465 1.199 . . . 1.0 . . . . . . . . . . . . C . 6 DC O4' . . . . . . . . . rr_1q2t 1 . 1 . 614 . 3 1 6 DC O5' O -9.720 6.515 3.406 . . . 1.0 . . . . . . . . . . . . C . 6 DC O5' . . . . . . . . . rr_1q2t 1 . 1 . 615 . 3 1 6 DC OP1 O -8.383 7.667 1.628 . . . 1.0 . . . . . . . . . . . . C . 6 DC OP1 . . . . . . . . . rr_1q2t 1 . 1 . 616 . 3 1 6 DC OP2 O -9.076 8.910 3.761 . . . 1.0 . . . . . . . . . . . . C . 6 DC OP2 . . . . . . . . . rr_1q2t 1 . 1 . 617 . 3 1 6 DC P P -8.642 7.666 3.086 . . . 1.0 . . . . . . . . . . . . C . 6 DC P . . . . . . . . . rr_1q2t 1 . 1 . 618 . 3 1 7 DC C1' C -17.648 4.486 0.622 . . . 1.0 . . . . . . . . . . . . C . 7 DC C1' . . . . . . . . . rr_1q2t 1 . 1 . 619 . 3 1 7 DC C2 C -17.753 2.040 0.755 . . . 1.0 . . . . . . . . . . . . C . 7 DC C2 . . . . . . . . . rr_1q2t 1 . 1 . 620 . 3 1 7 DC C2' C -19.048 5.048 0.810 . . . 1.0 . . . . . . . . . . . . C . 7 DC C2' . . . . . . . . . rr_1q2t 1 . 1 . 621 . 3 1 7 DC C3' C -18.892 6.479 1.257 . . . 1.0 . . . . . . . . . . . . C . 7 DC C3' . . . . . . . . . rr_1q2t 1 . 1 . 622 . 3 1 7 DC C4 C -17.216 0.893 2.734 . . . 1.0 . . . . . . . . . . . . C . 7 DC C4 . . . . . . . . . rr_1q2t 1 . 1 . 623 . 3 1 7 DC C4' C -17.393 6.738 1.320 . . . 1.0 . . . . . . . . . . . . C . 7 DC C4' . . . . . . . . . rr_1q2t 1 . 1 . 624 . 3 1 7 DC C5 C -16.918 2.121 3.403 . . . 1.0 . . . . . . . . . . . . C . 7 DC C5 . . . . . . . . . rr_1q2t 1 . 1 . 625 . 3 1 7 DC C5' C -16.990 7.284 2.688 . . . 1.0 . . . . . . . . . . . . C . 7 DC C5' . . . . . . . . . rr_1q2t 1 . 1 . 626 . 3 1 7 DC C6 C -17.060 3.266 2.703 . . . 1.0 . . . . . . . . . . . . C . 7 DC C6 . . . . . . . . . rr_1q2t 1 . 1 . 627 . 3 1 7 DC H1' H -17.491 4.271 -0.435 . . . 1.0 . . . . . . . . . . . . C . 7 DC H1' . . . . . . . . . rr_1q2t 1 . 1 . 628 . 3 1 7 DC H2' H -19.580 4.477 1.571 . . . 1.0 . . . . . . . . . . . . C . 7 DC H2' . . . . . . . . . rr_1q2t 1 . 1 . 629 . 3 1 7 DC H2'' H -19.594 5.011 -0.133 . . . 1.0 . . . . . . . . . . . . C . 7 DC H2'' . . . . . . . . . rr_1q2t 1 . 1 . 630 . 3 1 7 DC H3' H -19.327 6.598 2.252 . . . 1.0 . . . . . . . . . . . . C . 7 DC H3' . . . . . . . . . rr_1q2t 1 . 1 . 631 . 3 1 7 DC H4' H -17.128 7.468 0.555 . . . 1.0 . . . . . . . . . . . . C . 7 DC H4' . . . . . . . . . rr_1q2t 1 . 1 . 632 . 3 1 7 DC H41 H -17.298 -1.132 2.911 . . . 1.0 . . . . . . . . . . . . C . 7 DC H41 . . . . . . . . . rr_1q2t 1 . 1 . 633 . 3 1 7 DC H42 H -16.793 -0.272 4.349 . . . 1.0 . . . . . . . . . . . . C . 7 DC H42 . . . . . . . . . rr_1q2t 1 . 1 . 634 . 3 1 7 DC H5 H -16.565 2.128 4.436 . . . 1.0 . . . . . . . . . . . . C . 7 DC H5 . . . . . . . . . rr_1q2t 1 . 1 . 635 . 3 1 7 DC H5' H -17.426 8.275 2.818 . . . 1.0 . . . . . . . . . . . . C . 7 DC H5' . . . . . . . . . rr_1q2t 1 . 1 . 636 . 3 1 7 DC H5'' H -17.376 6.622 3.463 . . . 1.0 . . . . . . . . . . . . C . 7 DC H5'' . . . . . . . . . rr_1q2t 1 . 1 . 637 . 3 1 7 DC H6 H -16.843 4.221 3.181 . . . 1.0 . . . . . . . . . . . . C . 7 DC H6 . . . . . . . . . rr_1q2t 1 . 1 . 638 . 3 1 7 DC HO3' H -19.211 7.148 -0.542 . . . 1.0 . . . . . . . . . . . . C . 7 DC HO3' . . . . . . . . . rr_1q2t 1 . 1 . 639 . 3 1 7 DC N1 N -17.472 3.238 1.399 . . . 1.0 . . . . . . . . . . . . C . 7 DC N1 . . . . . . . . . rr_1q2t 1 . 1 . 640 . 3 1 7 DC N3 N -17.616 0.884 1.457 . . . 1.0 . . . . . . . . . . . . C . 7 DC N3 . . . . . . . . . rr_1q2t 1 . 1 . 641 . 3 1 7 DC N4 N -17.094 -0.263 3.385 . . . 1.0 . . . . . . . . . . . . C . 7 DC N4 . . . . . . . . . rr_1q2t 1 . 1 . 642 . 3 1 7 DC O2 O -18.095 2.033 -0.428 . . . 1.0 . . . . . . . . . . . . C . 7 DC O2 . . . . . . . . . rr_1q2t 1 . 1 . 643 . 3 1 7 DC O3' O -19.526 7.372 0.337 . . . 1.0 . . . . . . . . . . . . C . 7 DC O3' . . . . . . . . . rr_1q2t 1 . 1 . 644 . 3 1 7 DC O4' O -16.707 5.498 1.038 . . . 1.0 . . . . . . . . . . . . C . 7 DC O4' . . . . . . . . . rr_1q2t 1 . 1 . 645 . 3 1 7 DC O5' O -15.567 7.379 2.823 . . . 1.0 . . . . . . . . . . . . C . 7 DC O5' . . . . . . . . . rr_1q2t 1 . 1 . 646 . 3 1 7 DC OP1 O -15.617 9.015 0.915 . . . 1.0 . . . . . . . . . . . . C . 7 DC OP1 . . . . . . . . . rr_1q2t 1 . 1 . 647 . 3 1 7 DC OP2 O -13.839 9.196 2.750 . . . 1.0 . . . . . . . . . . . . C . 7 DC OP2 . . . . . . . . . rr_1q2t 1 . 1 . 648 . 3 1 7 DC P P -14.703 8.366 1.881 . . . 1.0 . . . . . . . . . . . . C . 7 DC P . . . . . . . . . rr_1q2t 1 . 1 . 649 . 4 1 1 MCY C1' C -14.275 -4.178 3.076 . . . 1.0 . . . . . . . . . . . . D . 1 MCY C1' . . . . . . . . . rr_1q2t 1 . 1 . 650 . 4 1 1 MCY C2 C -14.688 -2.279 1.566 . . . 1.0 . . . . . . . . . . . . D . 1 MCY C2 . . . . . . . . . rr_1q2t 1 . 1 . 651 . 4 1 1 MCY C2' C -12.872 -4.732 2.941 . . . 1.0 . . . . . . . . . . . . D . 1 MCY C2' . . . . . . . . . rr_1q2t 1 . 1 . 652 . 4 1 1 MCY C3' C -12.516 -5.387 4.239 . . . 1.0 . . . . . . . . . . . . D . 1 MCY C3' . . . . . . . . . rr_1q2t 1 . 1 . 653 . 4 1 1 MCY C4 C -14.415 -0.065 2.337 . . . 1.0 . . . . . . . . . . . . D . 1 MCY C4 . . . . . . . . . rr_1q2t 1 . 1 . 654 . 4 1 1 MCY C4' C -13.699 -5.147 5.167 . . . 1.0 . . . . . . . . . . . . D . 1 MCY C4' . . . . . . . . . rr_1q2t 1 . 1 . 655 . 4 1 1 MCY C5 C -14.029 -0.517 3.549 . . . 1.0 . . . . . . . . . . . . D . 1 MCY C5 . . . . . . . . . rr_1q2t 1 . 1 . 656 . 4 1 1 MCY C5' C -13.278 -4.332 6.388 . . . 1.0 . . . . . . . . . . . . D . 1 MCY C5' . . . . . . . . . rr_1q2t 1 . 1 . 657 . 4 1 1 MCY C5A C -13.752 0.467 4.685 . . . 1.0 . . . . . . . . . . . . D . 1 MCY C5A . . . . . . . . . rr_1q2t 1 . 1 . 658 . 4 1 1 MCY C6 C -13.956 -1.840 3.774 . . . 1.0 . . . . . . . . . . . . D . 1 MCY C6 . . . . . . . . . rr_1q2t 1 . 1 . 659 . 4 1 1 MCY H1' H -14.932 -4.679 2.367 . . . 1.0 . . . . . . . . . . . . D . 1 MCY H1' . . . . . . . . . rr_1q2t 1 . 1 . 660 . 4 1 1 MCY H2' H -12.176 -3.918 2.751 . . . 1.0 . . . . . . . . . . . . D . 1 MCY H2' . . . . . . . . . rr_1q2t 1 . 1 . 661 . 4 1 1 MCY H2'' H -12.834 -5.465 2.138 . . . 1.0 . . . . . . . . . . . . D . 1 MCY H2'' . . . . . . . . . rr_1q2t 1 . 1 . 662 . 4 1 1 MCY H3' H -11.623 -4.906 4.638 . . . 1.0 . . . . . . . . . . . . D . 1 MCY H3' . . . . . . . . . rr_1q2t 1 . 1 . 663 . 4 1 1 MCY H4' H -14.090 -6.108 5.500 . . . 1.0 . . . . . . . . . . . . D . 1 MCY H4' . . . . . . . . . rr_1q2t 1 . 1 . 664 . 4 1 1 MCY H5' H -14.167 -4.063 6.959 . . . 1.0 . . . . . . . . . . . . D . 1 MCY H5' . . . . . . . . . rr_1q2t 1 . 1 . 665 . 4 1 1 MCY H5'' H -12.624 -4.939 7.013 . . . 1.0 . . . . . . . . . . . . D . 1 MCY H5'' . . . . . . . . . rr_1q2t 1 . 1 . 666 . 4 1 1 MCY H5A1 H -14.565 0.421 5.410 . . . 1.0 . . . . . . . . . . . . D . 1 MCY H5A1 . . . . . . . . . rr_1q2t 1 . 1 . 667 . 4 1 1 MCY H5A2 H -13.680 1.478 4.288 . . . 1.0 . . . . . . . . . . . . D . 1 MCY H5A2 . . . . . . . . . rr_1q2t 1 . 1 . 668 . 4 1 1 MCY H5A3 H -12.815 0.202 5.175 . . . 1.0 . . . . . . . . . . . . D . 1 MCY H5A3 . . . . . . . . . rr_1q2t 1 . 1 . 669 . 4 1 1 MCY H6 H -13.572 -2.212 4.716 . . . 1.0 . . . . . . . . . . . . D . 1 MCY H6 . . . . . . . . . rr_1q2t 1 . 1 . 670 . 4 1 1 MCY HN41 H -14.208 1.907 2.808 . . . 1.0 . . . . . . . . . . . . D . 1 MCY HN41 . . . . . . . . . rr_1q2t 1 . 1 . 671 . 4 1 1 MCY HN42 H -14.751 1.579 1.178 . . . 1.0 . . . . . . . . . . . . D . 1 MCY HN42 . . . . . . . . . rr_1q2t 1 . 1 . 672 . 4 1 1 MCY HO5' H -12.790 -2.470 6.672 . . . 1.0 . . . . . . . . . . . . D . 1 MCY HO5' . . . . . . . . . rr_1q2t 1 . 1 . 673 . 4 1 1 MCY N1 N -14.288 -2.722 2.808 . . . 1.0 . . . . . . . . . . . . D . 1 MCY N1 . . . . . . . . . rr_1q2t 1 . 1 . 674 . 4 1 1 MCY N3 N -14.738 -0.937 1.365 . . . 1.0 . . . . . . . . . . . . D . 1 MCY N3 . . . . . . . . . rr_1q2t 1 . 1 . 675 . 4 1 1 MCY N4 N -14.462 1.246 2.089 . . . 1.0 . . . . . . . . . . . . D . 1 MCY N4 . . . . . . . . . rr_1q2t 1 . 1 . 676 . 4 1 1 MCY O2 O -14.973 -3.075 0.676 . . . 1.0 . . . . . . . . . . . . D . 1 MCY O2 . . . . . . . . . rr_1q2t 1 . 1 . 677 . 4 1 1 MCY O3' O -12.279 -6.791 4.065 . . . 1.0 . . . . . . . . . . . . D . 1 MCY O3' . . . . . . . . . rr_1q2t 1 . 1 . 678 . 4 1 1 MCY O4' O -14.726 -4.456 4.420 . . . 1.0 . . . . . . . . . . . . D . 1 MCY O4' . . . . . . . . . rr_1q2t 1 . 1 . 679 . 4 1 1 MCY O5' O -12.587 -3.137 6.012 . . . 1.0 . . . . . . . . . . . . D . 1 MCY O5' . . . . . . . . . rr_1q2t 1 . 1 . 680 . 4 1 2 DC C1' C -7.887 -4.857 0.509 . . . 1.0 . . . . . . . . . . . . D . 2 DC C1' . . . . . . . . . rr_1q2t 1 . 1 . 681 . 4 1 2 DC C2 C -8.024 -2.453 0.039 . . . 1.0 . . . . . . . . . . . . D . 2 DC C2 . . . . . . . . . rr_1q2t 1 . 1 . 682 . 4 1 2 DC C2' C -6.506 -5.448 0.727 . . . 1.0 . . . . . . . . . . . . D . 2 DC C2' . . . . . . . . . rr_1q2t 1 . 1 . 683 . 4 1 2 DC C3' C -6.680 -6.661 1.606 . . . 1.0 . . . . . . . . . . . . D . 2 DC C3' . . . . . . . . . rr_1q2t 1 . 1 . 684 . 4 1 2 DC C4 C -8.295 -0.896 1.772 . . . 1.0 . . . . . . . . . . . . D . 2 DC C4 . . . . . . . . . rr_1q2t 1 . 1 . 685 . 4 1 2 DC C4' C -8.174 -6.771 1.882 . . . 1.0 . . . . . . . . . . . . D . 2 DC C4' . . . . . . . . . rr_1q2t 1 . 1 . 686 . 4 1 2 DC C5 C -8.222 -1.917 2.755 . . . 1.0 . . . . . . . . . . . . D . 2 DC C5 . . . . . . . . . rr_1q2t 1 . 1 . 687 . 4 1 2 DC C5' C -8.462 -6.725 3.383 . . . 1.0 . . . . . . . . . . . . D . 2 DC C5' . . . . . . . . . rr_1q2t 1 . 1 . 688 . 4 1 2 DC C6 C -8.058 -3.180 2.332 . . . 1.0 . . . . . . . . . . . . D . 2 DC C6 . . . . . . . . . rr_1q2t 1 . 1 . 689 . 4 1 2 DC H1' H -8.111 -4.873 -0.555 . . . 1.0 . . . . . . . . . . . . D . 2 DC H1' . . . . . . . . . rr_1q2t 1 . 1 . 690 . 4 1 2 DC H2' H -5.855 -4.720 1.208 . . . 1.0 . . . . . . . . . . . . D . 2 DC H2' . . . . . . . . . rr_1q2t 1 . 1 . 691 . 4 1 2 DC H2'' H -6.081 -5.746 -0.228 . . . 1.0 . . . . . . . . . . . . D . 2 DC H2'' . . . . . . . . . rr_1q2t 1 . 1 . 692 . 4 1 2 DC H3' H -6.142 -6.512 2.544 . . . 1.0 . . . . . . . . . . . . D . 2 DC H3' . . . . . . . . . rr_1q2t 1 . 1 . 693 . 4 1 2 DC H4' H -8.539 -7.716 1.481 . . . 1.0 . . . . . . . . . . . . D . 2 DC H4' . . . . . . . . . rr_1q2t 1 . 1 . 694 . 4 1 2 DC H41 H -8.632 1.085 1.483 . . . 1.0 . . . . . . . . . . . . D . 2 DC H41 . . . . . . . . . rr_1q2t 1 . 1 . 695 . 4 1 2 DC H42 H -8.865 0.489 3.118 . . . 1.0 . . . . . . . . . . . . D . 2 DC H42 . . . . . . . . . rr_1q2t 1 . 1 . 696 . 4 1 2 DC H5 H -8.253 -1.667 3.819 . . . 1.0 . . . . . . . . . . . . D . 2 DC H5 . . . . . . . . . rr_1q2t 1 . 1 . 697 . 4 1 2 DC H5' H -8.260 -7.706 3.814 . . . 1.0 . . . . . . . . . . . . D . 2 DC H5' . . . . . . . . . rr_1q2t 1 . 1 . 698 . 4 1 2 DC H5'' H -7.805 -5.991 3.850 . . . 1.0 . . . . . . . . . . . . D . 2 DC H5'' . . . . . . . . . rr_1q2t 1 . 1 . 699 . 4 1 2 DC H6 H -7.975 -3.980 3.064 . . . 1.0 . . . . . . . . . . . . D . 2 DC H6 . . . . . . . . . rr_1q2t 1 . 1 . 700 . 4 1 2 DC N1 N -7.968 -3.462 0.994 . . . 1.0 . . . . . . . . . . . . D . 2 DC N1 . . . . . . . . . rr_1q2t 1 . 1 . 701 . 4 1 2 DC N3 N -8.185 -1.175 0.464 . . . 1.0 . . . . . . . . . . . . D . 2 DC N3 . . . . . . . . . rr_1q2t 1 . 1 . 702 . 4 1 2 DC N4 N -8.640 0.321 2.150 . . . 1.0 . . . . . . . . . . . . D . 2 DC N4 . . . . . . . . . rr_1q2t 1 . 1 . 703 . 4 1 2 DC O2 O -7.953 -2.723 -1.158 . . . 1.0 . . . . . . . . . . . . D . 2 DC O2 . . . . . . . . . rr_1q2t 1 . 1 . 704 . 4 1 2 DC O3' O -6.202 -7.839 0.947 . . . 1.0 . . . . . . . . . . . . D . 2 DC O3' . . . . . . . . . rr_1q2t 1 . 1 . 705 . 4 1 2 DC O4' O -8.841 -5.687 1.202 . . . 1.0 . . . . . . . . . . . . D . 2 DC O4' . . . . . . . . . rr_1q2t 1 . 1 . 706 . 4 1 2 DC O5' O -9.824 -6.368 3.652 . . . 1.0 . . . . . . . . . . . . D . 2 DC O5' . . . . . . . . . rr_1q2t 1 . 1 . 707 . 4 1 2 DC OP1 O -11.324 -7.047 1.761 . . . 1.0 . . . . . . . . . . . . D . 2 DC OP1 . . . . . . . . . rr_1q2t 1 . 1 . 708 . 4 1 2 DC OP2 O -10.727 -8.706 3.618 . . . 1.0 . . . . . . . . . . . . D . 2 DC OP2 . . . . . . . . . rr_1q2t 1 . 1 . 709 . 4 1 2 DC P P -11.036 -7.325 3.186 . . . 1.0 . . . . . . . . . . . . D . 2 DC P . . . . . . . . . rr_1q2t 1 . 1 . 710 . 4 1 3 DT C1' C -1.477 -4.703 2.102 . . . 1.0 . . . . . . . . . . . . D . 3 DT C1' . . . . . . . . . rr_1q2t 1 . 1 . 711 . 4 1 3 DT C2 C -1.625 -3.957 4.431 . . . 1.0 . . . . . . . . . . . . D . 3 DT C2 . . . . . . . . . rr_1q2t 1 . 1 . 712 . 4 1 3 DT C2' C -0.512 -5.841 1.808 . . . 1.0 . . . . . . . . . . . . D . 3 DT C2' . . . . . . . . . rr_1q2t 1 . 1 . 713 . 4 1 3 DT C3' C -0.952 -6.463 0.504 . . . 1.0 . . . . . . . . . . . . D . 3 DT C3' . . . . . . . . . rr_1q2t 1 . 1 . 714 . 4 1 3 DT C4 C -3.228 -4.967 6.009 . . . 1.0 . . . . . . . . . . . . D . 3 DT C4 . . . . . . . . . rr_1q2t 1 . 1 . 715 . 4 1 3 DT C4' C -2.221 -5.728 0.096 . . . 1.0 . . . . . . . . . . . . D . 3 DT C4' . . . . . . . . . rr_1q2t 1 . 1 . 716 . 4 1 3 DT C5 C -3.626 -5.844 4.929 . . . 1.0 . . . . . . . . . . . . D . 3 DT C5 . . . . . . . . . rr_1q2t 1 . 1 . 717 . 4 1 3 DT C5' C -3.388 -6.701 -0.035 . . . 1.0 . . . . . . . . . . . . D . 3 DT C5' . . . . . . . . . rr_1q2t 1 . 1 . 718 . 4 1 3 DT C6 C -3.051 -5.753 3.712 . . . 1.0 . . . . . . . . . . . . D . 3 DT C6 . . . . . . . . . rr_1q2t 1 . 1 . 719 . 4 1 3 DT C7 C -4.715 -6.887 5.170 . . . 1.0 . . . . . . . . . . . . D . 3 DT C7 . . . . . . . . . rr_1q2t 1 . 1 . 720 . 4 1 3 DT H1' H -0.939 -3.758 2.042 . . . 1.0 . . . . . . . . . . . . D . 3 DT H1' . . . . . . . . . rr_1q2t 1 . 1 . 721 . 4 1 3 DT H2' H -0.554 -6.582 2.606 . . . 1.0 . . . . . . . . . . . . D . 3 DT H2' . . . . . . . . . rr_1q2t 1 . 1 . 722 . 4 1 3 DT H2'' H 0.502 -5.455 1.713 . . . 1.0 . . . . . . . . . . . . D . 3 DT H2'' . . . . . . . . . rr_1q2t 1 . 1 . 723 . 4 1 3 DT H3 H -1.933 -3.421 6.380 . . . 1.0 . . . . . . . . . . . . D . 3 DT H3 . . . . . . . . . rr_1q2t 1 . 1 . 724 . 4 1 3 DT H3' H -1.175 -7.520 0.665 . . . 1.0 . . . . . . . . . . . . D . 3 DT H3' . . . . . . . . . rr_1q2t 1 . 1 . 725 . 4 1 3 DT H4' H -2.057 -5.240 -0.864 . . . 1.0 . . . . . . . . . . . . D . 3 DT H4' . . . . . . . . . rr_1q2t 1 . 1 . 726 . 4 1 3 DT H5' H -4.232 -6.182 -0.483 . . . 1.0 . . . . . . . . . . . . D . 3 DT H5' . . . . . . . . . rr_1q2t 1 . 1 . 727 . 4 1 3 DT H5'' H -3.093 -7.526 -0.684 . . . 1.0 . . . . . . . . . . . . D . 3 DT H5'' . . . . . . . . . rr_1q2t 1 . 1 . 728 . 4 1 3 DT H6 H -3.374 -6.426 2.917 . . . 1.0 . . . . . . . . . . . . D . 3 DT H6 . . . . . . . . . rr_1q2t 1 . 1 . 729 . 4 1 3 DT H71 H -5.078 -6.805 6.195 . . . 1.0 . . . . . . . . . . . . D . 3 DT H71 . . . . . . . . . rr_1q2t 1 . 1 . 730 . 4 1 3 DT H72 H -4.305 -7.885 5.010 . . . 1.0 . . . . . . . . . . . . D . 3 DT H72 . . . . . . . . . rr_1q2t 1 . 1 . 731 . 4 1 3 DT H73 H -5.540 -6.719 4.479 . . . 1.0 . . . . . . . . . . . . D . 3 DT H73 . . . . . . . . . rr_1q2t 1 . 1 . 732 . 4 1 3 DT N1 N -2.070 -4.831 3.453 . . . 1.0 . . . . . . . . . . . . D . 3 DT N1 . . . . . . . . . rr_1q2t 1 . 1 . 733 . 4 1 3 DT N3 N -2.233 -4.068 5.667 . . . 1.0 . . . . . . . . . . . . D . 3 DT N3 . . . . . . . . . rr_1q2t 1 . 1 . 734 . 4 1 3 DT O2 O -0.734 -3.136 4.221 . . . 1.0 . . . . . . . . . . . . D . 3 DT O2 . . . . . . . . . rr_1q2t 1 . 1 . 735 . 4 1 3 DT O3' O 0.061 -6.325 -0.503 . . . 1.0 . . . . . . . . . . . . D . 3 DT O3' . . . . . . . . . rr_1q2t 1 . 1 . 736 . 4 1 3 DT O4 O -3.698 -4.977 7.145 . . . 1.0 . . . . . . . . . . . . D . 3 DT O4 . . . . . . . . . rr_1q2t 1 . 1 . 737 . 4 1 3 DT O4' O -2.506 -4.721 1.091 . . . 1.0 . . . . . . . . . . . . D . 3 DT O4' . . . . . . . . . rr_1q2t 1 . 1 . 738 . 4 1 3 DT O5' O -3.781 -7.225 1.238 . . . 1.0 . . . . . . . . . . . . D . 3 DT O5' . . . . . . . . . rr_1q2t 1 . 1 . 739 . 4 1 3 DT OP1 O -4.408 -9.457 0.285 . . . 1.0 . . . . . . . . . . . . D . 3 DT OP1 . . . . . . . . . rr_1q2t 1 . 1 . 740 . 4 1 3 DT OP2 O -4.840 -8.917 2.752 . . . 1.0 . . . . . . . . . . . . D . 3 DT OP2 . . . . . . . . . rr_1q2t 1 . 1 . 741 . 4 1 3 DT P P -4.779 -8.485 1.338 . . . 1.0 . . . . . . . . . . . . D . 3 DT P . . . . . . . . . rr_1q2t 1 . 1 . 742 . 4 1 4 DC C1' C 1.689 -3.006 -4.095 . . . 1.0 . . . . . . . . . . . . D . 4 DC C1' . . . . . . . . . rr_1q2t 1 . 1 . 743 . 4 1 4 DC C2 C 0.984 -1.407 -2.366 . . . 1.0 . . . . . . . . . . . . D . 4 DC C2 . . . . . . . . . rr_1q2t 1 . 1 . 744 . 4 1 4 DC C2' C 3.035 -3.703 -4.230 . . . 1.0 . . . . . . . . . . . . D . 4 DC C2' . . . . . . . . . rr_1q2t 1 . 1 . 745 . 4 1 4 DC C3' C 2.775 -5.047 -4.860 . . . 1.0 . . . . . . . . . . . . D . 4 DC C3' . . . . . . . . . rr_1q2t 1 . 1 . 746 . 4 1 4 DC C4 C 0.727 -2.080 -0.133 . . . 1.0 . . . . . . . . . . . . D . 4 DC C4 . . . . . . . . . rr_1q2t 1 . 1 . 747 . 4 1 4 DC C4' C 1.272 -5.122 -5.090 . . . 1.0 . . . . . . . . . . . . D . 4 DC C4' . . . . . . . . . rr_1q2t 1 . 1 . 748 . 4 1 4 DC C5 C 1.139 -3.408 -0.449 . . . 1.0 . . . . . . . . . . . . D . 4 DC C5 . . . . . . . . . rr_1q2t 1 . 1 . 749 . 4 1 4 DC C5' C 0.665 -6.305 -4.337 . . . 1.0 . . . . . . . . . . . . D . 4 DC C5' . . . . . . . . . rr_1q2t 1 . 1 . 750 . 4 1 4 DC C6 C 1.457 -3.676 -1.724 . . . 1.0 . . . . . . . . . . . . D . 4 DC C6 . . . . . . . . . rr_1q2t 1 . 1 . 751 . 4 1 4 DC H1' H 1.709 -2.077 -4.663 . . . 1.0 . . . . . . . . . . . . D . 4 DC H1' . . . . . . . . . rr_1q2t 1 . 1 . 752 . 4 1 4 DC H2' H 3.488 -3.834 -3.247 . . . 1.0 . . . . . . . . . . . . D . 4 DC H2' . . . . . . . . . rr_1q2t 1 . 1 . 753 . 4 1 4 DC H2'' H 3.694 -3.115 -4.867 . . . 1.0 . . . . . . . . . . . . D . 4 DC H2'' . . . . . . . . . rr_1q2t 1 . 1 . 754 . 4 1 4 DC H3' H 3.080 -5.837 -4.171 . . . 1.0 . . . . . . . . . . . . D . 4 DC H3' . . . . . . . . . rr_1q2t 1 . 1 . 755 . 4 1 4 DC H4' H 1.082 -5.245 -6.156 . . . 1.0 . . . . . . . . . . . . D . 4 DC H4' . . . . . . . . . rr_1q2t 1 . 1 . 756 . 4 1 4 DC H41 H 0.133 -0.831 1.348 . . . 1.0 . . . . . . . . . . . . D . 4 DC H41 . . . . . . . . . rr_1q2t 1 . 1 . 757 . 4 1 4 DC H42 H 0.438 -2.481 1.831 . . . 1.0 . . . . . . . . . . . . D . 4 DC H42 . . . . . . . . . rr_1q2t 1 . 1 . 758 . 4 1 4 DC H5 H 1.193 -4.179 0.319 . . . 1.0 . . . . . . . . . . . . D . 4 DC H5 . . . . . . . . . rr_1q2t 1 . 1 . 759 . 4 1 4 DC H5' H -0.385 -6.401 -4.615 . . . 1.0 . . . . . . . . . . . . D . 4 DC H5' . . . . . . . . . rr_1q2t 1 . 1 . 760 . 4 1 4 DC H5'' H 1.192 -7.216 -4.622 . . . 1.0 . . . . . . . . . . . . D . 4 DC H5'' . . . . . . . . . rr_1q2t 1 . 1 . 761 . 4 1 4 DC H6 H 1.787 -4.679 -1.995 . . . 1.0 . . . . . . . . . . . . D . 4 DC H6 . . . . . . . . . rr_1q2t 1 . 1 . 762 . 4 1 4 DC N1 N 1.384 -2.703 -2.680 . . . 1.0 . . . . . . . . . . . . D . 4 DC N1 . . . . . . . . . rr_1q2t 1 . 1 . 763 . 4 1 4 DC N3 N 0.658 -1.130 -1.075 . . . 1.0 . . . . . . . . . . . . D . 4 DC N3 . . . . . . . . . rr_1q2t 1 . 1 . 764 . 4 1 4 DC N4 N 0.400 -1.776 1.115 . . . 1.0 . . . . . . . . . . . . D . 4 DC N4 . . . . . . . . . rr_1q2t 1 . 1 . 765 . 4 1 4 DC O2 O 0.927 -0.542 -3.239 . . . 1.0 . . . . . . . . . . . . D . 4 DC O2 . . . . . . . . . rr_1q2t 1 . 1 . 766 . 4 1 4 DC O3' O 3.484 -5.174 -6.098 . . . 1.0 . . . . . . . . . . . . D . 4 DC O3' . . . . . . . . . rr_1q2t 1 . 1 . 767 . 4 1 4 DC O4' O 0.682 -3.879 -4.650 . . . 1.0 . . . . . . . . . . . . D . 4 DC O4' . . . . . . . . . rr_1q2t 1 . 1 . 768 . 4 1 4 DC O5' O 0.759 -6.136 -2.918 . . . 1.0 . . . . . . . . . . . . D . 4 DC O5' . . . . . . . . . rr_1q2t 1 . 1 . 769 . 4 1 4 DC OP1 O -1.496 -7.052 -2.336 . . . 1.0 . . . . . . . . . . . . D . 4 DC OP1 . . . . . . . . . rr_1q2t 1 . 1 . 770 . 4 1 4 DC OP2 O 0.630 -8.383 -1.819 . . . 1.0 . . . . . . . . . . . . D . 4 DC OP2 . . . . . . . . . rr_1q2t 1 . 1 . 771 . 4 1 4 DC P P -0.076 -7.087 -1.921 . . . 1.0 . . . . . . . . . . . . D . 4 DC P . . . . . . . . . rr_1q2t 1 . 1 . 772 . 4 1 5 DT C1' C 7.877 -5.646 -2.542 . . . 1.0 . . . . . . . . . . . . D . 5 DT C1' . . . . . . . . . rr_1q2t 1 . 1 . 773 . 4 1 5 DT C2 C 7.102 -6.765 -0.506 . . . 1.0 . . . . . . . . . . . . D . 5 DT C2 . . . . . . . . . rr_1q2t 1 . 1 . 774 . 4 1 5 DT C2' C 8.710 -6.470 -3.510 . . . 1.0 . . . . . . . . . . . . D . 5 DT C2' . . . . . . . . . rr_1q2t 1 . 1 . 775 . 4 1 5 DT C3' C 8.636 -5.782 -4.848 . . . 1.0 . . . . . . . . . . . . D . 5 DT C3' . . . . . . . . . rr_1q2t 1 . 1 . 776 . 4 1 5 DT C4 C 5.000 -8.052 -0.464 . . . 1.0 . . . . . . . . . . . . D . 5 DT C4 . . . . . . . . . rr_1q2t 1 . 1 . 777 . 4 1 5 DT C4' C 7.671 -4.614 -4.666 . . . 1.0 . . . . . . . . . . . . D . 5 DT C4' . . . . . . . . . rr_1q2t 1 . 1 . 778 . 4 1 5 DT C5 C 4.853 -7.716 -1.863 . . . 1.0 . . . . . . . . . . . . D . 5 DT C5 . . . . . . . . . rr_1q2t 1 . 1 . 779 . 4 1 5 DT C5' C 6.480 -4.744 -5.610 . . . 1.0 . . . . . . . . . . . . D . 5 DT C5' . . . . . . . . . rr_1q2t 1 . 1 . 780 . 4 1 5 DT C6 C 5.774 -6.962 -2.498 . . . 1.0 . . . . . . . . . . . . D . 5 DT C6 . . . . . . . . . rr_1q2t 1 . 1 . 781 . 4 1 5 DT C7 C 3.636 -8.222 -2.634 . . . 1.0 . . . . . . . . . . . . D . 5 DT C7 . . . . . . . . . rr_1q2t 1 . 1 . 782 . 4 1 5 DT H1' H 8.538 -5.193 -1.805 . . . 1.0 . . . . . . . . . . . . D . 5 DT H1' . . . . . . . . . rr_1q2t 1 . 1 . 783 . 4 1 5 DT H2' H 8.305 -7.479 -3.587 . . . 1.0 . . . . . . . . . . . . D . 5 DT H2' . . . . . . . . . rr_1q2t 1 . 1 . 784 . 4 1 5 DT H2'' H 9.745 -6.510 -3.170 . . . 1.0 . . . . . . . . . . . . D . 5 DT H2'' . . . . . . . . . rr_1q2t 1 . 1 . 785 . 4 1 5 DT H3 H 6.289 -7.742 1.098 . . . 1.0 . . . . . . . . . . . . D . 5 DT H3 . . . . . . . . . rr_1q2t 1 . 1 . 786 . 4 1 5 DT H3' H 8.236 -6.476 -5.591 . . . 1.0 . . . . . . . . . . . . D . 5 DT H3' . . . . . . . . . rr_1q2t 1 . 1 . 787 . 4 1 5 DT H4' H 8.194 -3.682 -4.879 . . . 1.0 . . . . . . . . . . . . D . 5 DT H4' . . . . . . . . . rr_1q2t 1 . 1 . 788 . 4 1 5 DT H5' H 5.809 -3.899 -5.453 . . . 1.0 . . . . . . . . . . . . D . 5 DT H5' . . . . . . . . . rr_1q2t 1 . 1 . 789 . 4 1 5 DT H5'' H 6.838 -4.729 -6.639 . . . 1.0 . . . . . . . . . . . . D . 5 DT H5'' . . . . . . . . . rr_1q2t 1 . 1 . 790 . 4 1 5 DT H6 H 5.635 -6.726 -3.553 . . . 1.0 . . . . . . . . . . . . D . 5 DT H6 . . . . . . . . . rr_1q2t 1 . 1 . 791 . 4 1 5 DT H71 H 3.168 -9.036 -2.081 . . . 1.0 . . . . . . . . . . . . D . 5 DT H71 . . . . . . . . . rr_1q2t 1 . 1 . 792 . 4 1 5 DT H72 H 3.951 -8.582 -3.614 . . . 1.0 . . . . . . . . . . . . D . 5 DT H72 . . . . . . . . . rr_1q2t 1 . 1 . 793 . 4 1 5 DT H73 H 2.921 -7.409 -2.758 . . . 1.0 . . . . . . . . . . . . D . 5 DT H73 . . . . . . . . . rr_1q2t 1 . 1 . 794 . 4 1 5 DT N1 N 6.881 -6.488 -1.844 . . . 1.0 . . . . . . . . . . . . D . 5 DT N1 . . . . . . . . . rr_1q2t 1 . 1 . 795 . 4 1 5 DT N3 N 6.143 -7.537 0.121 . . . 1.0 . . . . . . . . . . . . D . 5 DT N3 . . . . . . . . . rr_1q2t 1 . 1 . 796 . 4 1 5 DT O2 O 8.092 -6.351 0.096 . . . 1.0 . . . . . . . . . . . . D . 5 DT O2 . . . . . . . . . rr_1q2t 1 . 1 . 797 . 4 1 5 DT O3' O 9.933 -5.325 -5.255 . . . 1.0 . . . . . . . . . . . . D . 5 DT O3' . . . . . . . . . rr_1q2t 1 . 1 . 798 . 4 1 5 DT O4 O 4.212 -8.729 0.193 . . . 1.0 . . . . . . . . . . . . D . 5 DT O4 . . . . . . . . . rr_1q2t 1 . 1 . 799 . 4 1 5 DT O4' O 7.229 -4.599 -3.293 . . . 1.0 . . . . . . . . . . . . D . 5 DT O4' . . . . . . . . . rr_1q2t 1 . 1 . 800 . 4 1 5 DT O5' O 5.761 -5.960 -5.381 . . . 1.0 . . . . . . . . . . . . D . 5 DT O5' . . . . . . . . . rr_1q2t 1 . 1 . 801 . 4 1 5 DT OP1 O 4.987 -6.328 -7.735 . . . 1.0 . . . . . . . . . . . . D . 5 DT OP1 . . . . . . . . . rr_1q2t 1 . 1 . 802 . 4 1 5 DT OP2 O 3.933 -7.621 -5.791 . . . 1.0 . . . . . . . . . . . . D . 5 DT OP2 . . . . . . . . . rr_1q2t 1 . 1 . 803 . 4 1 5 DT P P 4.529 -6.378 -6.329 . . . 1.0 . . . . . . . . . . . . D . 5 DT P . . . . . . . . . rr_1q2t 1 . 1 . 804 . 4 1 6 DC C1' C 10.695 0.176 -4.455 . . . 1.0 . . . . . . . . . . . . D . 6 DC C1' . . . . . . . . . rr_1q2t 1 . 1 . 805 . 4 1 6 DC C2 C 11.155 0.225 -2.049 . . . 1.0 . . . . . . . . . . . . D . 6 DC C2 . . . . . . . . . rr_1q2t 1 . 1 . 806 . 4 1 6 DC C2' C 11.955 -0.186 -5.221 . . . 1.0 . . . . . . . . . . . . D . 6 DC C2' . . . . . . . . . rr_1q2t 1 . 1 . 807 . 4 1 6 DC C3' C 11.519 -0.717 -6.561 . . . 1.0 . . . . . . . . . . . . D . 6 DC C3' . . . . . . . . . rr_1q2t 1 . 1 . 808 . 4 1 6 DC C4 C 10.745 -1.637 -0.682 . . . 1.0 . . . . . . . . . . . . D . 6 DC C4 . . . . . . . . . rr_1q2t 1 . 1 . 809 . 4 1 6 DC C4' C 10.002 -0.601 -6.583 . . . 1.0 . . . . . . . . . . . . D . 6 DC C4' . . . . . . . . . rr_1q2t 1 . 1 . 810 . 4 1 6 DC C5 C 10.254 -2.387 -1.795 . . . 1.0 . . . . . . . . . . . . D . 6 DC C5 . . . . . . . . . rr_1q2t 1 . 1 . 811 . 4 1 6 DC C5' C 9.363 -1.923 -7.001 . . . 1.0 . . . . . . . . . . . . D . 6 DC C5' . . . . . . . . . rr_1q2t 1 . 1 . 812 . 4 1 6 DC C6 C 10.237 -1.784 -2.999 . . . 1.0 . . . . . . . . . . . . D . 6 DC C6 . . . . . . . . . rr_1q2t 1 . 1 . 813 . 4 1 6 DC H1' H 10.669 1.255 -4.302 . . . 1.0 . . . . . . . . . . . . D . 6 DC H1' . . . . . . . . . rr_1q2t 1 . 1 . 814 . 4 1 6 DC H2' H 12.511 -0.952 -4.683 . . . 1.0 . . . . . . . . . . . . D . 6 DC H2' . . . . . . . . . rr_1q2t 1 . 1 . 815 . 4 1 6 DC H2'' H 12.576 0.699 -5.356 . . . 1.0 . . . . . . . . . . . . D . 6 DC H2'' . . . . . . . . . rr_1q2t 1 . 1 . 816 . 4 1 6 DC H3' H 11.804 -1.768 -6.642 . . . 1.0 . . . . . . . . . . . . D . 6 DC H3' . . . . . . . . . rr_1q2t 1 . 1 . 817 . 4 1 6 DC H4' H 9.715 0.173 -7.295 . . . 1.0 . . . . . . . . . . . . D . 6 DC H4' . . . . . . . . . rr_1q2t 1 . 1 . 818 . 4 1 6 DC H41 H 11.129 -1.665 1.313 . . . 1.0 . . . . . . . . . . . . D . 6 DC H41 . . . . . . . . . rr_1q2t 1 . 1 . 819 . 4 1 6 DC H42 H 10.474 -3.139 0.653 . . . 1.0 . . . . . . . . . . . . D . 6 DC H42 . . . . . . . . . rr_1q2t 1 . 1 . 820 . 4 1 6 DC H5 H 9.910 -3.413 -1.675 . . . 1.0 . . . . . . . . . . . . D . 6 DC H5 . . . . . . . . . rr_1q2t 1 . 1 . 821 . 4 1 6 DC H5' H 8.282 -1.794 -7.058 . . . 1.0 . . . . . . . . . . . . D . 6 DC H5' . . . . . . . . . rr_1q2t 1 . 1 . 822 . 4 1 6 DC H5'' H 9.740 -2.204 -7.985 . . . 1.0 . . . . . . . . . . . . D . 6 DC H5'' . . . . . . . . . rr_1q2t 1 . 1 . 823 . 4 1 6 DC H6 H 9.867 -2.328 -3.869 . . . 1.0 . . . . . . . . . . . . D . 6 DC H6 . . . . . . . . . rr_1q2t 1 . 1 . 824 . 4 1 6 DC N1 N 10.680 -0.497 -3.137 . . . 1.0 . . . . . . . . . . . . D . 6 DC N1 . . . . . . . . . rr_1q2t 1 . 1 . 825 . 4 1 6 DC N3 N 11.173 -0.380 -0.834 . . . 1.0 . . . . . . . . . . . . D . 6 DC N3 . . . . . . . . . rr_1q2t 1 . 1 . 826 . 4 1 6 DC N4 N 10.786 -2.194 0.525 . . . 1.0 . . . . . . . . . . . . D . 6 DC N4 . . . . . . . . . rr_1q2t 1 . 1 . 827 . 4 1 6 DC O2 O 11.548 1.381 -2.194 . . . 1.0 . . . . . . . . . . . . D . 6 DC O2 . . . . . . . . . rr_1q2t 1 . 1 . 828 . 4 1 6 DC O3' O 12.112 0.035 -7.625 . . . 1.0 . . . . . . . . . . . . D . 6 DC O3' . . . . . . . . . rr_1q2t 1 . 1 . 829 . 4 1 6 DC O4' O 9.562 -0.210 -5.263 . . . 1.0 . . . . . . . . . . . . D . 6 DC O4' . . . . . . . . . rr_1q2t 1 . 1 . 830 . 4 1 6 DC O5' O 9.660 -2.966 -6.068 . . . 1.0 . . . . . . . . . . . . D . 6 DC O5' . . . . . . . . . rr_1q2t 1 . 1 . 831 . 4 1 6 DC OP1 O 9.145 -4.888 -7.595 . . . 1.0 . . . . . . . . . . . . D . 6 DC OP1 . . . . . . . . . rr_1q2t 1 . 1 . 832 . 4 1 6 DC OP2 O 11.559 -4.370 -6.906 . . . 1.0 . . . . . . . . . . . . D . 6 DC OP2 . . . . . . . . . rr_1q2t 1 . 1 . 833 . 4 1 6 DC P P 10.117 -4.424 -6.579 . . . 1.0 . . . . . . . . . . . . D . 6 DC P . . . . . . . . . rr_1q2t 1 . 1 . 834 . 4 1 7 DC C1' C 17.705 0.154 -4.336 . . . 1.0 . . . . . . . . . . . . D . 7 DC C1' . . . . . . . . . rr_1q2t 1 . 1 . 835 . 4 1 7 DC C2 C 17.993 -0.259 -1.933 . . . 1.0 . . . . . . . . . . . . D . 7 DC C2 . . . . . . . . . rr_1q2t 1 . 1 . 836 . 4 1 7 DC C2' C 18.757 -0.238 -5.361 . . . 1.0 . . . . . . . . . . . . D . 7 DC C2' . . . . . . . . . rr_1q2t 1 . 1 . 837 . 4 1 7 DC C3' C 18.038 -0.473 -6.665 . . . 1.0 . . . . . . . . . . . . D . 7 DC C3' . . . . . . . . . rr_1q2t 1 . 1 . 838 . 4 1 7 DC C4 C 17.759 -2.412 -1.022 . . . 1.0 . . . . . . . . . . . . D . 7 DC C4 . . . . . . . . . rr_1q2t 1 . 1 . 839 . 4 1 7 DC C4' C 16.575 -0.144 -6.402 . . . 1.0 . . . . . . . . . . . . D . 7 DC C4' . . . . . . . . . rr_1q2t 1 . 1 . 840 . 4 1 7 DC C5 C 17.464 -2.959 -2.310 . . . 1.0 . . . . . . . . . . . . D . 7 DC C5 . . . . . . . . . rr_1q2t 1 . 1 . 841 . 4 1 7 DC C5' C 15.674 -1.308 -6.806 . . . 1.0 . . . . . . . . . . . . D . 7 DC C5' . . . . . . . . . rr_1q2t 1 . 1 . 842 . 4 1 7 DC C6 C 17.449 -2.114 -3.361 . . . 1.0 . . . . . . . . . . . . D . 7 DC C6 . . . . . . . . . rr_1q2t 1 . 1 . 843 . 4 1 7 DC H1' H 17.919 1.160 -3.974 . . . 1.0 . . . . . . . . . . . . D . 7 DC H1' . . . . . . . . . rr_1q2t 1 . 1 . 844 . 4 1 7 DC H2' H 19.265 -1.150 -5.046 . . . 1.0 . . . . . . . . . . . . D . 7 DC H2' . . . . . . . . . rr_1q2t 1 . 1 . 845 . 4 1 7 DC H2'' H 19.481 0.569 -5.478 . . . 1.0 . . . . . . . . . . . . D . 7 DC H2'' . . . . . . . . . rr_1q2t 1 . 1 . 846 . 4 1 7 DC H3' H 18.131 -1.524 -6.946 . . . 1.0 . . . . . . . . . . . . D . 7 DC H3' . . . . . . . . . rr_1q2t 1 . 1 . 847 . 4 1 7 DC H4' H 16.299 0.736 -6.983 . . . 1.0 . . . . . . . . . . . . D . 7 DC H4' . . . . . . . . . rr_1q2t 1 . 1 . 848 . 4 1 7 DC H41 H 17.989 -2.823 0.959 . . . 1.0 . . . . . . . . . . . . D . 7 DC H41 . . . . . . . . . rr_1q2t 1 . 1 . 849 . 4 1 7 DC H42 H 17.604 -4.198 -0.054 . . . 1.0 . . . . . . . . . . . . D . 7 DC H42 . . . . . . . . . rr_1q2t 1 . 1 . 850 . 4 1 7 DC H5 H 17.251 -4.021 -2.436 . . . 1.0 . . . . . . . . . . . . D . 7 DC H5 . . . . . . . . . rr_1q2t 1 . 1 . 851 . 4 1 7 DC H5' H 15.953 -1.645 -7.805 . . . 1.0 . . . . . . . . . . . . D . 7 DC H5' . . . . . . . . . rr_1q2t 1 . 1 . 852 . 4 1 7 DC H5'' H 15.815 -2.127 -6.102 . . . 1.0 . . . . . . . . . . . . D . 7 DC H5'' . . . . . . . . . rr_1q2t 1 . 1 . 853 . 4 1 7 DC H6 H 17.229 -2.497 -4.358 . . . 1.0 . . . . . . . . . . . . D . 7 DC H6 . . . . . . . . . rr_1q2t 1 . 1 . 854 . 4 1 7 DC HO3' H 19.079 -0.207 -8.287 . . . 1.0 . . . . . . . . . . . . D . 7 DC HO3' . . . . . . . . . rr_1q2t 1 . 1 . 855 . 4 1 7 DC N1 N 17.709 -0.783 -3.188 . . . 1.0 . . . . . . . . . . . . D . 7 DC N1 . . . . . . . . . rr_1q2t 1 . 1 . 856 . 4 1 7 DC N3 N 18.010 -1.107 -0.869 . . . 1.0 . . . . . . . . . . . . D . 7 DC N3 . . . . . . . . . rr_1q2t 1 . 1 . 857 . 4 1 7 DC N4 N 17.789 -3.210 0.047 . . . 1.0 . . . . . . . . . . . . D . 7 DC N4 . . . . . . . . . rr_1q2t 1 . 1 . 858 . 4 1 7 DC O2 O 18.218 0.942 -1.797 . . . 1.0 . . . . . . . . . . . . D . 7 DC O2 . . . . . . . . . rr_1q2t 1 . 1 . 859 . 4 1 7 DC O3' O 18.571 0.359 -7.700 . . . 1.0 . . . . . . . . . . . . D . 7 DC O3' . . . . . . . . . rr_1q2t 1 . 1 . 860 . 4 1 7 DC O4' O 16.422 0.156 -4.997 . . . 1.0 . . . . . . . . . . . . D . 7 DC O4' . . . . . . . . . rr_1q2t 1 . 1 . 861 . 4 1 7 DC O5' O 14.294 -0.928 -6.808 . . . 1.0 . . . . . . . . . . . . D . 7 DC O5' . . . . . . . . . rr_1q2t 1 . 1 . 862 . 4 1 7 DC OP1 O 14.288 1.003 -8.406 . . . 1.0 . . . . . . . . . . . . D . 7 DC OP1 . . . . . . . . . rr_1q2t 1 . 1 . 863 . 4 1 7 DC OP2 O 13.543 -1.327 -9.166 . . . 1.0 . . . . . . . . . . . . D . 7 DC OP2 . . . . . . . . . rr_1q2t 1 . 1 . 864 . 4 1 7 DC P P 13.613 -0.283 -8.120 . . . 1.0 . . . . . . . . . . . . D . 7 DC P . . . . . . . . . rr_1q2t 1 stop_ save_ ########################### # Constraint Statistics # ########################### save_constraint_statistics _Constraint_stat_list.Sf_framecode constraint_statistics _Constraint_stat_list.Sf_category constraint_statistics _Constraint_stat_list.Entry_ID rr_1q2t _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 1q2t.mr . . 'MR format' 1 comment 'Not applicable' 'Not applicable' 0 rr_1q2t 1 1 1q2t.mr . . XPLOR/CNS 2 distance NOE simple 36 rr_1q2t 1 1 1q2t.mr . . XPLOR/CNS 3 distance 'NOE not seen' simple 80 rr_1q2t 1 1 1q2t.mr . . XPLOR/CNS 4 distance NOE simple 150 rr_1q2t 1 1 1q2t.mr . . XPLOR/CNS 5 distance 'hydrogen bond' simple 30 rr_1q2t 1 1 1q2t.mr . . XPLOR/CNS 6 distance NOE ambi 14 rr_1q2t 1 1 1q2t.mr . . 'MR format' 7 'nomenclature mapping' 'Not applicable' 'Not applicable' 0 rr_1q2t 1 stop_ save_ save_CNS/XPLOR_distance_constraints_2 _Gen_dist_constraint_list.Sf_category general_distance_constraints _Gen_dist_constraint_list.Sf_framecode CNS/XPLOR_distance_constraints_2 _Gen_dist_constraint_list.Entry_ID rr_1q2t _Gen_dist_constraint_list.ID 1 _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 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_1q2t 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 1 1 1 MCY H6 H . . . 2 1 1 1 MCY H3' H . . . . . 3.00 2.70 3.50 . . . . . B . 1 MCY H6 . . B . 1 MCY H3' . B . 1 . H6 . . . B . 1 . H3' . . rr_1q2t 1 2 1 . . 1 1 1 1 MCY H6 H . . . 1 1 1 1 MCY H3' H . . . . . 2.70 2.40 3.20 . . . . . A . 1 MCY H6 . . A . 1 MCY H3' . A . 1 . H6 . . . A . 1 . H3' . . rr_1q2t 1 3 1 . . 3 1 1 1 MCY H6 H . . . 3 1 1 1 MCY H3' H . . . . . 2.70 2.40 3.20 . . . . . C . 1 MCY H6 . . C . 1 MCY H3' . C . 1 . H6 . . . C . 1 . H3' . . rr_1q2t 1 4 1 . . 4 1 1 1 MCY H6 H . . . 4 1 1 1 MCY H3' H . . . . . 3.00 2.70 3.50 . . . . . D . 1 MCY H6 . . D . 1 MCY H3' . D . 1 . H6 . . . D . 1 . H3' . . rr_1q2t 1 5 1 . . 4 1 2 2 DC H6 H . . . 4 1 2 2 DC H3' H . . . . . 3.20 2.90 3.70 . . . . . D . 2 DC H6 . . D . 2 DC H3' . D . 2 . H6 . . . D . 2 . H3' . . rr_1q2t 1 6 1 . . 2 1 2 2 DC H6 H . . . 2 1 2 2 DC H3' H . . . . . 3.20 2.90 3.70 . . . . . B . 2 DC H6 . . B . 2 DC H3' . B . 2 . H6 . . . B . 2 . H3' . . rr_1q2t 1 7 1 . . 3 1 3 3 DT H6 H . . . 3 1 3 3 DT H3' H . . . . . 2.80 2.50 3.30 . . . . . C . 3 DT H6 . . C . 3 DT H3' . C . 3 . H6 . . . C . 3 . H3' . . rr_1q2t 1 8 1 . . 1 1 3 3 DT H6 H . . . 1 1 3 3 DT H3' H . . . . . 2.80 2.50 3.30 . . . . . A . 3 DT H6 . . A . 3 DT H3' . A . 3 . H6 . . . A . 3 . H3' . . rr_1q2t 1 9 1 . . 1 1 4 4 DC H6 H . . . 1 1 4 4 DC H3' H . . . . . 2.65 2.35 3.15 . . . . . A . 4 DC H6 . . A . 4 DC H3' . A . 4 . H6 . . . A . 4 . H3' . . rr_1q2t 1 10 1 . . 3 1 4 4 DC H6 H . . . 3 1 4 4 DC H3' H . . . . . 2.65 2.35 3.15 . . . . . C . 4 DC H6 . . C . 4 DC H3' . C . 4 . H6 . . . C . 4 . H3' . . rr_1q2t 1 11 1 . . 2 1 5 5 DT H6 H . . . 2 1 5 5 DT H3' H . . . . . 3.20 2.90 3.70 . . . . . B . 5 DT H6 . . B . 5 DT H3' . B . 5 . H6 . . . B . 5 . H3' . . rr_1q2t 1 12 1 . . 4 1 5 5 DT H6 H . . . 4 1 5 5 DT H3' H . . . . . 3.20 2.90 3.70 . . . . . D . 5 DT H6 . . D . 5 DT H3' . D . 5 . H6 . . . D . 5 . H3' . . rr_1q2t 1 13 1 . . 3 1 5 5 DT H6 H . . . 3 1 5 5 DT H3' H . . . . . 2.80 2.50 3.30 . . . . . C . 5 DT H6 . . C . 5 DT H3' . C . 5 . H6 . . . C . 5 . H3' . . rr_1q2t 1 14 1 . . 1 1 5 5 DT H6 H . . . 1 1 5 5 DT H3' H . . . . . 2.80 2.50 3.30 . . . . . A . 5 DT H6 . . A . 5 DT H3' . A . 5 . H6 . . . A . 5 . H3' . . rr_1q2t 1 15 1 . . 3 1 5 5 DT H6 H . . . 3 1 5 5 DT H3' H . . . . . 2.80 2.50 3.30 . . . . . C . 5 DT H6 . . C . 5 DT H3' . C . 5 . H6 . . . C . 5 . H3' . . rr_1q2t 1 16 1 . . 1 1 5 5 DT H6 H . . . 1 1 5 5 DT H3' H . . . . . 2.80 2.50 3.30 . . . . . A . 5 DT H6 . . A . 5 DT H3' . A . 5 . H6 . . . A . 5 . H3' . . rr_1q2t 1 17 1 . . 4 1 5 5 DT H6 H . . . 4 1 5 5 DT H3' H . . . . . 3.20 2.90 3.70 . . . . . D . 5 DT H6 . . D . 5 DT H3' . D . 5 . H6 . . . D . 5 . H3' . . rr_1q2t 1 18 1 . . 2 1 5 5 DT H6 H . . . 2 1 5 5 DT H3' H . . . . . 3.20 2.90 3.70 . . . . . B . 5 DT H6 . . B . 5 DT H3' . B . 5 . H6 . . . B . 5 . H3' . . rr_1q2t 1 19 1 . . 1 1 6 6 DC H6 H . . . 1 1 6 6 DC H3' H . . . . . 2.65 2.35 3.15 . . . . . A . 6 DC H6 . . A . 6 DC H3' . A . 6 . H6 . . . A . 6 . H3' . . rr_1q2t 1 20 1 . . 4 1 6 6 DC H6 H . . . 4 1 6 6 DC H3' H . . . . . 2.90 2.60 3.40 . . . . . D . 6 DC H6 . . D . 6 DC H3' . D . 6 . H6 . . . D . 6 . H3' . . rr_1q2t 1 21 1 . . 2 1 6 6 DC H6 H . . . 2 1 6 6 DC H3' H . . . . . 2.90 2.60 3.40 . . . . . B . 6 DC H6 . . B . 6 DC H3' . B . 6 . H6 . . . B . 6 . H3' . . rr_1q2t 1 22 1 . . 2 1 6 6 DC H6 H . . . 2 1 6 6 DC H3' H . . . . . 2.90 2.60 3.40 . . . . . B . 6 DC H6 . . B . 6 DC H3' . B . 6 . H6 . . . B . 6 . H3' . . rr_1q2t 1 23 1 . . 3 1 6 6 DC H6 H . . . 3 1 6 6 DC H3' H . . . . . 2.65 2.35 3.15 . . . . . C . 6 DC H6 . . C . 6 DC H3' . C . 6 . H6 . . . C . 6 . H3' . . rr_1q2t 1 24 1 . . 2 1 6 6 DC H6 H . . . 2 1 6 6 DC H3' H . . . . . 2.90 2.60 3.40 . . . . . B . 6 DC H6 . . B . 6 DC H3' . B . 6 . H6 . . . B . 6 . H3' . . rr_1q2t 1 25 1 . . 4 1 6 6 DC H6 H . . . 4 1 6 6 DC H3' H . . . . . 2.90 2.60 3.40 . . . . . D . 6 DC H6 . . D . 6 DC H3' . D . 6 . H6 . . . D . 6 . H3' . . rr_1q2t 1 26 1 . . 4 1 6 6 DC H6 H . . . 4 1 6 6 DC H3' H . . . . . 2.90 2.60 3.40 . . . . . D . 6 DC H6 . . D . 6 DC H3' . D . 6 . H6 . . . D . 6 . H3' . . rr_1q2t 1 27 1 . . 1 1 6 6 DC H6 H . . . 1 1 6 6 DC H3' H . . . . . 2.65 2.35 3.15 . . . . . A . 6 DC H6 . . A . 6 DC H3' . A . 6 . H6 . . . A . 6 . H3' . . rr_1q2t 1 28 1 . . 3 1 6 6 DC H6 H . . . 3 1 6 6 DC H3' H . . . . . 2.65 2.35 3.15 . . . . . C . 6 DC H6 . . C . 6 DC H3' . C . 6 . H6 . . . C . 6 . H3' . . rr_1q2t 1 29 1 . . 4 1 7 7 DC H6 H . . . 4 1 7 7 DC H3' H . . . . . 2.50 2.20 3.00 . . . . . D . 7 DC H6 . . D . 7 DC H3' . D . 7 . H6 . . . D . 7 . H3' . . rr_1q2t 1 30 1 . . 2 1 7 7 DC H6 H . . . 2 1 7 7 DC H3' H . . . . . 2.50 2.20 3.00 . . . . . B . 7 DC H6 . . B . 7 DC H3' . B . 7 . H6 . . . B . 7 . H3' . . rr_1q2t 1 31 1 . . 2 1 7 7 DC H6 H . . . 2 1 7 7 DC H3' H . . . . . 2.50 2.20 3.00 . . . . . B . 7 DC H6 . . B . 7 DC H3' . B . 7 . H6 . . . B . 7 . H3' . . rr_1q2t 1 32 1 . . 2 1 7 7 DC H6 H . . . 2 1 7 7 DC H3' H . . . . . 2.50 2.20 3.00 . . . . . B . 7 DC H6 . . B . 7 DC H3' . B . 7 . H6 . . . B . 7 . H3' . . rr_1q2t 1 33 1 . . 4 1 7 7 DC H6 H . . . 4 1 7 7 DC H3' H . . . . . 2.50 2.20 3.00 . . . . . D . 7 DC H6 . . D . 7 DC H3' . D . 7 . H6 . . . D . 7 . H3' . . rr_1q2t 1 34 1 . . 2 1 7 7 DC H6 H . . . 2 1 7 7 DC H3' H . . . . . 2.50 2.20 3.00 . . . . . B . 7 DC H6 . . B . 7 DC H3' . B . 7 . H6 . . . B . 7 . H3' . . rr_1q2t 1 35 1 . . 4 1 7 7 DC H6 H . . . 4 1 7 7 DC H3' H . . . . . 2.50 2.20 3.00 . . . . . D . 7 DC H6 . . D . 7 DC H3' . D . 7 . H6 . . . D . 7 . H3' . . rr_1q2t 1 36 1 . . 4 1 7 7 DC H6 H . . . 4 1 7 7 DC H3' H . . . . . 2.50 2.20 3.00 . . . . . D . 7 DC H6 . . D . 7 DC H3' . D . 7 . H6 . . . D . 7 . H3' . . rr_1q2t 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 'Intra-residue restraints' 1 1 1 28 rr_1q2t 1 stop_ save_ save_CNS/XPLOR_distance_constraints_3 _Gen_dist_constraint_list.Sf_category general_distance_constraints _Gen_dist_constraint_list.Sf_framecode CNS/XPLOR_distance_constraints_3 _Gen_dist_constraint_list.Entry_ID rr_1q2t _Gen_dist_constraint_list.ID 2 _Gen_dist_constraint_list.Constraint_type 'NOE not seen' _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_1q2t 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 . . 2 1 1 1 MCY H1' H . . . 3 1 6 6 DC H2'' H . . . . . 3.70 2.30 43.70 . . . . . B . 1 MCY H1' . . C . 6 DC H2'' . B . 1 . H1' . . . C . 6 . H2'' . . rr_1q2t 2 2 1 . . 4 1 1 1 MCY H1' H . . . 1 1 6 6 DC H2'' H . . . . . 3.70 2.30 43.70 . . . . . D . 1 MCY H1' . . A . 6 DC H2'' . D . 1 . H1' . . . A . 6 . H2'' . . rr_1q2t 2 3 1 . . 4 1 1 1 MCY H2'' H . . . 1 1 6 6 DC H1' H . . . . . 3.50 3.50 43.50 . . . . . D . 1 MCY H2'' . . A . 6 DC H1' . D . 1 . H2'' . . . A . 6 . H1' . . rr_1q2t 2 4 1 . . 2 1 1 1 MCY H2'' H . . . 3 1 6 6 DC H1' H . . . . . 3.50 3.50 43.50 . . . . . B . 1 MCY H2'' . . C . 6 DC H1' . B . 1 . H2'' . . . C . 6 . H1' . . rr_1q2t 2 5 1 . . 4 1 1 1 MCY H6 H . . . 3 1 6 6 DC H41 H . . . . . 2.62 2.62 42.62 . . . . . D . 1 MCY H6 . . C . 6 DC H41 . D . 1 . H6 . . . C . 6 . H41 . . rr_1q2t 2 6 1 . . 2 1 1 1 MCY H6 H . . . 1 1 6 6 DC H41 H . . . . . 2.62 2.62 42.62 . . . . . B . 1 MCY H6 . . A . 6 DC H41 . B . 1 . H6 . . . A . 6 . H41 . . rr_1q2t 2 7 1 . . 3 1 3 3 DT H6 H . . . 3 1 2 2 DC H2'' H . . . . . 3.70 2.30 43.70 . . . . . C . 3 DT H6 . . C . 2 DC H2'' . C . 3 . H6 . . . C . 2 . H2'' . . rr_1q2t 2 8 1 . . 1 1 3 3 DT H6 H . . . 1 1 2 2 DC H2'' H . . . . . 3.70 2.30 43.70 . . . . . A . 3 DT H6 . . A . 2 DC H2'' . A . 3 . H6 . . . A . 2 . H2'' . . rr_1q2t 2 9 1 . . 1 1 3 3 DT H6 H . . . 1 1 2 2 DC H3' H . . . . . 3.70 2.30 43.70 . . . . . A . 3 DT H6 . . A . 2 DC H3' . A . 3 . H6 . . . A . 2 . H3' . . rr_1q2t 2 10 1 . . 3 1 3 3 DT H6 H . . . 3 1 2 2 DC H3' H . . . . . 3.70 2.30 43.70 . . . . . C . 3 DT H6 . . C . 2 DC H3' . C . 3 . H6 . . . C . 2 . H3' . . rr_1q2t 2 11 1 . . 3 1 2 2 DC H41 H . . . 1 1 3 3 DT H3 H . . . . . 2.65 2.65 42.65 . . . . . C . 2 DC H41 . . A . 3 DT H3 . C . 2 . H41 . . . A . 3 . H3 . . rr_1q2t 2 12 1 . . 1 1 2 2 DC H41 H . . . 3 1 3 3 DT H3 H . . . . . 2.65 2.65 42.65 . . . . . A . 2 DC H41 . . C . 3 DT H3 . A . 2 . H41 . . . C . 3 . H3 . . rr_1q2t 2 13 1 . . 4 1 2 2 DC H2' H . . . 1 1 5 5 DT H3 H . . . . . 4.70 4.70 44.70 . . . . . D . 2 DC H2' . . A . 5 DT H3 . D . 2 . H2' . . . A . 5 . H3 . . rr_1q2t 2 14 1 . . 2 1 2 2 DC H2' H . . . 3 1 5 5 DT H3 H . . . . . 4.70 4.70 44.70 . . . . . B . 2 DC H2' . . C . 5 DT H3 . B . 2 . H2' . . . C . 5 . H3 . . rr_1q2t 2 15 1 . . 2 1 2 2 DC H41 H . . . 1 1 5 5 DT H2'' H . . . . . 2.80 2.80 42.80 . . . . . B . 2 DC H41 . . A . 5 DT H2'' . B . 2 . H41 . . . A . 5 . H2'' . . rr_1q2t 2 16 1 . . 4 1 2 2 DC H41 H . . . 3 1 5 5 DT H2'' H . . . . . 2.80 2.80 42.80 . . . . . D . 2 DC H41 . . C . 5 DT H2'' . D . 2 . H41 . . . C . 5 . H2'' . . rr_1q2t 2 17 1 . . 1 1 5 5 DT H6 H . . . 2 1 2 2 DC H41 H . . . . . 2.70 2.70 42.70 . . . . . A . 5 DT H6 . . B . 2 DC H41 . A . 5 . H6 . . . B . 2 . H41 . . rr_1q2t 2 18 1 . . 3 1 5 5 DT H6 H . . . 4 1 2 2 DC H41 H . . . . . 2.70 2.70 42.70 . . . . . C . 5 DT H6 . . D . 2 DC H41 . C . 5 . H6 . . . D . 2 . H41 . . rr_1q2t 2 19 1 . . 1 1 5 5 DT H2'' H . . . 2 1 2 2 DC H42 H . . . . . 2.80 1.40 42.80 . . . . . A . 5 DT H2'' . . B . 2 DC H42 . A . 5 . H2'' . . . B . 2 . H42 . . rr_1q2t 2 20 1 . . 3 1 5 5 DT H2'' H . . . 4 1 2 2 DC H42 H . . . . . 2.80 1.40 42.80 . . . . . C . 5 DT H2'' . . D . 2 DC H42 . C . 5 . H2'' . . . D . 2 . H42 . . rr_1q2t 2 21 1 . . 3 1 5 5 DT H6 H . . . 4 1 2 2 DC H42 H . . . . . 2.70 2.70 42.70 . . . . . C . 5 DT H6 . . D . 2 DC H42 . C . 5 . H6 . . . D . 2 . H42 . . rr_1q2t 2 22 1 . . 1 1 5 5 DT H6 H . . . 2 1 2 2 DC H42 H . . . . . 2.70 2.70 42.70 . . . . . A . 5 DT H6 . . B . 2 DC H42 . A . 5 . H6 . . . B . 2 . H42 . . rr_1q2t 2 23 1 . . 1 1 5 5 DT H2'' H . . . 4 1 2 2 DC N3 N . . . . . 4.70 4.20 44.70 . . . . . A . 5 DT H2'' . . D . 2 DC N3 . A . 5 . H2'' . . . D . 2 . N3 . . rr_1q2t 2 24 1 . . 3 1 5 5 DT H2'' H . . . 2 1 2 2 DC N3 N . . . . . 4.70 4.20 44.70 . . . . . C . 5 DT H2'' . . B . 2 DC N3 . C . 5 . H2'' . . . B . 2 . N3 . . rr_1q2t 2 25 1 . . 3 1 5 5 DT H2'' H . . . 2 1 2 2 DC N3 N . . . . . 4.70 4.20 44.70 . . . . . C . 5 DT H2'' . . B . 2 DC N3 . C . 5 . H2'' . . . B . 2 . N3 . . rr_1q2t 2 26 1 . . 1 1 5 5 DT H2'' H . . . 4 1 2 2 DC N3 N . . . . . 4.70 4.20 44.70 . . . . . A . 5 DT H2'' . . D . 2 DC N3 . A . 5 . H2'' . . . D . 2 . N3 . . rr_1q2t 2 27 1 . . 3 1 4 4 DC H6 H . . . 4 1 3 3 DT H3 H . . . . . 4.70 4.20 44.70 . . . . . C . 4 DC H6 . . D . 3 DT H3 . C . 4 . H6 . . . D . 3 . H3 . . rr_1q2t 2 28 1 . . 1 1 4 4 DC H6 H . . . 2 1 3 3 DT H3 H . . . . . 4.70 4.20 44.70 . . . . . A . 4 DC H6 . . B . 3 DT H3 . A . 4 . H6 . . . B . 3 . H3 . . rr_1q2t 2 29 1 . . 2 1 4 4 DC H1' H . . . 3 1 3 3 DT H2' H . . . . . 3.70 2.30 43.70 . . . . . B . 4 DC H1' . . C . 3 DT H2' . B . 4 . H1' . . . C . 3 . H2' . . rr_1q2t 2 30 1 . . 4 1 4 4 DC H1' H . . . 1 1 3 3 DT H2' H . . . . . 3.70 2.30 43.70 . . . . . D . 4 DC H1' . . A . 3 DT H2' . D . 4 . H1' . . . A . 3 . H2' . . rr_1q2t 2 31 1 . . 2 1 4 4 DC H42 H . . . 1 1 3 3 DT H2'' H . . . . . 3.10 3.10 43.10 . . . . . B . 4 DC H42 . . A . 3 DT H2'' . B . 4 . H42 . . . A . 3 . H2'' . . rr_1q2t 2 32 1 . . 4 1 4 4 DC H42 H . . . 3 1 3 3 DT H2'' H . . . . . 3.10 3.10 43.10 . . . . . D . 4 DC H42 . . C . 3 DT H2'' . D . 4 . H42 . . . C . 3 . H2'' . . rr_1q2t 2 33 1 . . 1 1 3 3 DT H3 H . . . 4 1 4 4 DC H2' H . . . . . 4.70 3.20 44.70 . . . . . A . 3 DT H3 . . D . 4 DC H2' . A . 3 . H3 . . . D . 4 . H2' . . rr_1q2t 2 34 1 . . 3 1 3 3 DT H3 H . . . 2 1 4 4 DC H2' H . . . . . 4.70 3.20 44.70 . . . . . C . 3 DT H3 . . B . 4 DC H2' . C . 3 . H3 . . . B . 4 . H2' . . rr_1q2t 2 35 1 . . 3 1 3 3 DT H6 H . . . 4 1 4 4 DC H42 H . . . . . 2.70 2.70 42.70 . . . . . C . 3 DT H6 . . D . 4 DC H42 . C . 3 . H6 . . . D . 4 . H42 . . rr_1q2t 2 36 1 . . 1 1 3 3 DT H6 H . . . 2 1 4 4 DC H42 H . . . . . 2.70 2.70 42.70 . . . . . A . 3 DT H6 . . B . 4 DC H42 . A . 3 . H6 . . . B . 4 . H42 . . rr_1q2t 2 37 1 . . 4 1 4 4 DC H42 H . . . 3 1 4 4 DC H41 H . . . . . 3.70 3.70 43.70 . . . . . D . 4 DC H42 . . C . 4 DC H41 . D . 4 . H42 . . . C . 4 . H41 . . rr_1q2t 2 38 1 . . 2 1 4 4 DC H42 H . . . 1 1 4 4 DC H41 H . . . . . 3.70 3.70 43.70 . . . . . B . 4 DC H42 . . A . 4 DC H41 . B . 4 . H42 . . . A . 4 . H41 . . rr_1q2t 2 39 1 . . 3 1 4 4 DC H41 H . . . 4 1 4 4 DC H5 H . . . . . 2.50 2.50 42.50 . . . . . C . 4 DC H41 . . D . 4 DC H5 . C . 4 . H41 . . . D . 4 . H5 . . rr_1q2t 2 40 1 . . 1 1 4 4 DC H41 H . . . 2 1 4 4 DC H5 H . . . . . 2.50 2.50 42.50 . . . . . A . 4 DC H41 . . B . 4 DC H5 . A . 4 . H41 . . . B . 4 . H5 . . rr_1q2t 2 41 1 . . 4 1 4 4 DC H42 H . . . 3 1 4 4 DC H5 H . . . . . 2.40 2.40 42.40 . . . . . D . 4 DC H42 . . C . 4 DC H5 . D . 4 . H42 . . . C . 4 . H5 . . rr_1q2t 2 42 1 . . 2 1 4 4 DC H42 H . . . 1 1 4 4 DC H5 H . . . . . 2.40 2.40 42.40 . . . . . B . 4 DC H42 . . A . 4 DC H5 . B . 4 . H42 . . . A . 4 . H5 . . rr_1q2t 2 43 1 . . 1 1 5 5 DT H3 H . . . 3 1 4 4 DC H41 H . . . . . 2.70 2.70 42.70 . . . . . A . 5 DT H3 . . C . 4 DC H41 . A . 5 . H3 . . . C . 4 . H41 . . rr_1q2t 2 44 1 . . 3 1 5 5 DT H3 H . . . 1 1 4 4 DC H41 H . . . . . 2.70 2.70 42.70 . . . . . C . 5 DT H3 . . A . 4 DC H41 . C . 5 . H3 . . . A . 4 . H41 . . rr_1q2t 2 45 1 . . 1 1 5 5 DT H6 H . . . 1 1 4 4 DC H2'' H . . . . . 3.70 2.30 43.70 . . . . . A . 5 DT H6 . . A . 4 DC H2'' . A . 5 . H6 . . . A . 4 . H2'' . . rr_1q2t 2 46 1 . . 3 1 5 5 DT H6 H . . . 3 1 4 4 DC H2'' H . . . . . 3.70 2.30 43.70 . . . . . C . 5 DT H6 . . C . 4 DC H2'' . C . 5 . H6 . . . C . 4 . H2'' . . rr_1q2t 2 47 1 . . 1 1 3 3 DT H6 H . . . 2 1 4 4 DC H5 H . . . . . 4.70 3.20 44.70 . . . . . A . 3 DT H6 . . B . 4 DC H5 . A . 3 . H6 . . . B . 4 . H5 . . rr_1q2t 2 48 1 . . 3 1 3 3 DT H6 H . . . 4 1 4 4 DC H5 H . . . . . 4.70 3.20 44.70 . . . . . C . 3 DT H6 . . D . 4 DC H5 . C . 3 . H6 . . . D . 4 . H5 . . rr_1q2t 2 49 1 . . 1 1 4 4 DC H6 H . . . 1 1 3 3 DT H2' H . . . . . 4.70 3.30 44.70 . . . . . A . 4 DC H6 . . A . 3 DT H2' . A . 4 . H6 . . . A . 3 . H2' . . rr_1q2t 2 50 1 . . 3 1 4 4 DC H6 H . . . 3 1 3 3 DT H2' H . . . . . 4.70 3.30 44.70 . . . . . C . 4 DC H6 . . C . 3 DT H2' . C . 4 . H6 . . . C . 3 . H2' . . rr_1q2t 2 51 1 . . 1 1 4 4 DC H6 H . . . 1 1 3 3 DT H2'' H . . . . . 3.70 2.30 43.70 . . . . . A . 4 DC H6 . . A . 3 DT H2'' . A . 4 . H6 . . . A . 3 . H2'' . . rr_1q2t 2 52 1 . . 3 1 4 4 DC H6 H . . . 3 1 3 3 DT H2'' H . . . . . 3.70 2.30 43.70 . . . . . C . 4 DC H6 . . C . 3 DT H2'' . C . 4 . H6 . . . C . 3 . H2'' . . rr_1q2t 2 53 1 . . 1 1 5 5 DT H2' H . . . 1 1 6 6 DC N3 N . . . . . 4.70 4.20 44.70 . . . . . A . 5 DT H2' . . A . 6 DC N3 . A . 5 . H2' . . . A . 6 . N3 . . rr_1q2t 2 54 1 . . 3 1 5 5 DT H2' H . . . 3 1 6 6 DC N3 N . . . . . 4.70 4.20 44.70 . . . . . C . 5 DT H2' . . C . 6 DC N3 . C . 5 . H2' . . . C . 6 . N3 . . rr_1q2t 2 55 1 . . 1 1 6 6 DC H6 H . . . 1 1 5 5 DT H2'' H . . . . . 4.70 3.20 44.70 . . . . . A . 6 DC H6 . . A . 5 DT H2'' . A . 6 . H6 . . . A . 5 . H2'' . . rr_1q2t 2 56 1 . . 3 1 6 6 DC H6 H . . . 3 1 5 5 DT H2'' H . . . . . 4.70 3.20 44.70 . . . . . C . 6 DC H6 . . C . 5 DT H2'' . C . 6 . H6 . . . C . 5 . H2'' . . rr_1q2t 2 57 1 . . 1 1 6 6 DC H6 H . . . 1 1 5 5 DT H2'' H . . . . . 4.70 3.20 44.70 . . . . . A . 6 DC H6 . . A . 5 DT H2'' . A . 6 . H6 . . . A . 5 . H2'' . . rr_1q2t 2 58 1 . . 3 1 6 6 DC H6 H . . . 3 1 5 5 DT H2'' H . . . . . 4.70 3.20 44.70 . . . . . C . 6 DC H6 . . C . 5 DT H2'' . C . 6 . H6 . . . C . 5 . H2'' . . rr_1q2t 2 59 1 . . 1 1 5 5 DT H2'' H . . . 1 1 6 6 DC N3 N . . . . . 4.70 4.20 44.70 . . . . . A . 5 DT H2'' . . A . 6 DC N3 . A . 5 . H2'' . . . A . 6 . N3 . . rr_1q2t 2 60 1 . . 3 1 5 5 DT H2'' H . . . 3 1 6 6 DC N3 N . . . . . 4.70 4.20 44.70 . . . . . C . 5 DT H2'' . . C . 6 DC N3 . C . 5 . H2'' . . . C . 6 . N3 . . rr_1q2t 2 61 1 . . 2 1 6 6 DC H41 H . . . 1 1 1 1 MCY H2'' H . . . . . 3.87 2.37 43.87 . . . . . B . 6 DC H41 . . A . 1 MCY H2'' . B . 6 . H41 . . . A . 1 . H2'' . . rr_1q2t 2 62 1 . . 2 1 6 6 DC H41 H . . . 1 1 1 1 MCY H2'' H . . . . . 3.87 2.37 43.87 . . . . . B . 6 DC H41 . . A . 1 MCY H2'' . B . 6 . H41 . . . A . 1 . H2'' . . rr_1q2t 2 63 1 . . 4 1 6 6 DC H41 H . . . 3 1 1 1 MCY H2'' H . . . . . 3.87 2.37 43.87 . . . . . D . 6 DC H41 . . C . 1 MCY H2'' . D . 6 . H41 . . . C . 1 . H2'' . . rr_1q2t 2 64 1 . . 4 1 6 6 DC H41 H . . . 3 1 1 1 MCY H2'' H . . . . . 3.87 2.37 43.87 . . . . . D . 6 DC H41 . . C . 1 MCY H2'' . D . 6 . H41 . . . C . 1 . H2'' . . rr_1q2t 2 65 1 . . 1 1 2 2 DC H41 H . . . 2 1 6 6 DC H5 H . . . . . 2.66 2.66 42.66 . . . . . A . 2 DC H41 . . B . 6 DC H5 . A . 2 . H41 . . . B . 6 . H5 . . rr_1q2t 2 66 1 . . 3 1 2 2 DC H41 H . . . 4 1 6 6 DC H5 H . . . . . 2.66 2.66 42.66 . . . . . C . 2 DC H41 . . D . 6 DC H5 . C . 2 . H41 . . . D . 6 . H5 . . rr_1q2t 2 67 1 . . 1 1 2 2 DC H41 H . . . 2 1 6 6 DC H5 H . . . . . 2.66 2.66 42.66 . . . . . A . 2 DC H41 . . B . 6 DC H5 . A . 2 . H41 . . . B . 6 . H5 . . rr_1q2t 2 68 1 . . 3 1 2 2 DC H41 H . . . 4 1 6 6 DC H5 H . . . . . 2.66 2.66 42.66 . . . . . C . 2 DC H41 . . D . 6 DC H5 . C . 2 . H41 . . . D . 6 . H5 . . rr_1q2t 2 69 1 . . 4 1 6 6 DC H5 H . . . 3 1 2 2 DC H42 H . . . . . 2.77 2.77 42.77 . . . . . D . 6 DC H5 . . C . 2 DC H42 . D . 6 . H5 . . . C . 2 . H42 . . rr_1q2t 2 70 1 . . 4 1 6 6 DC H5 H . . . 3 1 2 2 DC H42 H . . . . . 2.77 2.77 42.77 . . . . . D . 6 DC H5 . . C . 2 DC H42 . D . 6 . H5 . . . C . 2 . H42 . . rr_1q2t 2 71 1 . . 2 1 6 6 DC H5 H . . . 1 1 2 2 DC H42 H . . . . . 2.77 2.77 42.77 . . . . . B . 6 DC H5 . . A . 2 DC H42 . B . 6 . H5 . . . A . 2 . H42 . . rr_1q2t 2 72 1 . . 2 1 6 6 DC H5 H . . . 1 1 2 2 DC H42 H . . . . . 2.77 2.77 42.77 . . . . . B . 6 DC H5 . . A . 2 DC H42 . B . 6 . H5 . . . A . 2 . H42 . . rr_1q2t 2 73 1 . . 3 1 6 6 DC H6 H . . . 3 1 5 5 DT H2'' H . . . . . 4.70 3.20 44.70 . . . . . C . 6 DC H6 . . C . 5 DT H2'' . C . 6 . H6 . . . C . 5 . H2'' . . rr_1q2t 2 74 1 . . 1 1 6 6 DC H6 H . . . 1 1 5 5 DT H2'' H . . . . . 4.70 3.20 44.70 . . . . . A . 6 DC H6 . . A . 5 DT H2'' . A . 6 . H6 . . . A . 5 . H2'' . . rr_1q2t 2 75 1 . . 1 1 5 5 DT H2' H . . . 1 1 6 6 DC N3 N . . . . . 4.70 4.20 44.70 . . . . . A . 5 DT H2' . . A . 6 DC N3 . A . 5 . H2' . . . A . 6 . N3 . . rr_1q2t 2 76 1 . . 3 1 5 5 DT H2' H . . . 3 1 6 6 DC N3 N . . . . . 4.70 4.20 44.70 . . . . . C . 5 DT H2' . . C . 6 DC N3 . C . 5 . H2' . . . C . 6 . N3 . . rr_1q2t 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 'Repulsive restraints' 1 1 1 24 rr_1q2t 2 stop_ loop_ _Gen_dist_constraint_conv_err.ID _Gen_dist_constraint_conv_err.Gen_dist_constraint_parse_file_ID _Gen_dist_constraint_conv_err.Parse_file_constraint_ID _Gen_dist_constraint_conv_err.Conv_error_type _Gen_dist_constraint_conv_err.Conv_error_note _Gen_dist_constraint_conv_err.Entry_ID _Gen_dist_constraint_conv_err.Gen_dist_constraint_list_ID 1 3 19 1 "Not handling restraint 19, item 1, resonance(s) 'C.5.C5A' (nmrStar names) not linked" rr_1q2t 2 2 3 20 1 "Not handling restraint 20, item 1, resonance(s) 'A.5.C5A' (nmrStar names) not linked" rr_1q2t 2 3 3 31 1 "Not handling restraint 31, item 1, resonance(s) 'A.3.C5A' (nmrStar names) not linked" rr_1q2t 2 4 3 32 1 "Not handling restraint 32, item 1, resonance(s) 'C.3.C5A' (nmrStar names) not linked" rr_1q2t 2 stop_ save_ save_CNS/XPLOR_distance_constraints_4 _Gen_dist_constraint_list.Sf_category general_distance_constraints _Gen_dist_constraint_list.Sf_framecode CNS/XPLOR_distance_constraints_4 _Gen_dist_constraint_list.Entry_ID rr_1q2t _Gen_dist_constraint_list.ID 3 _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 4 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_1q2t 3 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 . . 4 1 1 1 MCY H1' H . . . 1 1 6 6 DC H1' H . . . . . 3.7 2.3 3.7 . . . . . D . 1 MCY H1' . . A . 6 DC H1' . D . 1 . H1' . . . A . 6 . H1' . . rr_1q2t 3 2 1 . . 2 1 1 1 MCY H1' H . . . 3 1 6 6 DC H1' H . . . . . 3.7 2.3 3.7 . . . . . B . 1 MCY H1' . . C . 6 DC H1' . B . 1 . H1' . . . C . 6 . H1' . . rr_1q2t 3 3 1 . . 1 1 6 6 DC H1' H . . . 4 1 1 1 MCY H2' H . . . . . 3.7 2.3 3.7 . . . . . A . 6 DC H1' . . D . 1 MCY H2' . A . 6 . H1' . . . D . 1 . H2' . . rr_1q2t 3 4 1 . . 3 1 6 6 DC H1' H . . . 2 1 1 1 MCY H2' H . . . . . 3.7 2.3 3.7 . . . . . C . 6 DC H1' . . B . 1 MCY H2' . C . 6 . H1' . . . B . 1 . H2' . . rr_1q2t 3 5 1 . . 4 1 1 1 MCY H3' H . . . 1 1 6 6 DC H1' H . . . . . 4.7 3.3 4.7 . . . . . D . 1 MCY H3' . . A . 6 DC H1' . D . 1 . H3' . . . A . 6 . H1' . . rr_1q2t 3 6 1 . . 2 1 1 1 MCY H3' H . . . 3 1 6 6 DC H1' H . . . . . 4.7 3.3 4.7 . . . . . B . 1 MCY H3' . . C . 6 DC H1' . B . 1 . H3' . . . C . 6 . H1' . . rr_1q2t 3 7 1 . . 2 1 1 1 MCY H6 H . . . 3 1 6 6 DC H1' H . . . . . 4.7 3.2 4.7 . . . . . B . 1 MCY H6 . . C . 6 DC H1' . B . 1 . H6 . . . C . 6 . H1' . . rr_1q2t 3 8 1 . . 4 1 1 1 MCY H6 H . . . 1 1 6 6 DC H1' H . . . . . 4.7 3.2 4.7 . . . . . D . 1 MCY H6 . . A . 6 DC H1' . D . 1 . H6 . . . A . 6 . H1' . . rr_1q2t 3 9 1 . . 4 1 1 1 MCY H1' H . . . 1 1 6 6 DC H2' H . . . . . 3.7 2.3 3.7 . . . . . D . 1 MCY H1' . . A . 6 DC H2' . D . 1 . H1' . . . A . 6 . H2' . . rr_1q2t 3 10 1 . . 2 1 1 1 MCY H1' H . . . 3 1 6 6 DC H2' H . . . . . 3.7 2.3 3.7 . . . . . B . 1 MCY H1' . . C . 6 DC H2' . B . 1 . H1' . . . C . 6 . H2' . . rr_1q2t 3 11 1 . . 4 1 1 1 MCY C5A C . . . 3 1 6 6 DC H5 H . . . . . 2.7 1.8 3.2 . . . . . D . 1 MCY C5A . . C . 6 DC H5 . D . 1 . C5A . . . C . 6 . H5 . . rr_1q2t 3 12 1 . . 2 1 1 1 MCY C5A C . . . 1 1 6 6 DC H5 H . . . . . 2.7 1.8 3.2 . . . . . B . 1 MCY C5A . . A . 6 DC H5 . B . 1 . C5A . . . A . 6 . H5 . . rr_1q2t 3 13 1 . . 1 1 6 6 DC H6 H . . . 2 1 1 1 MCY C5A C . . . . . 3.7 2.3 4.2 . . . . . A . 6 DC H6 . . B . 1 MCY C5A . A . 6 . H6 . . . B . 1 . C5A . . rr_1q2t 3 14 1 . . 3 1 6 6 DC H6 H . . . 4 1 1 1 MCY C5A C . . . . . 3.7 2.3 4.2 . . . . . C . 6 DC H6 . . D . 1 MCY C5A . C . 6 . H6 . . . D . 1 . C5A . . rr_1q2t 3 15 1 . . 1 1 6 6 DC N3 N . . . 2 1 1 1 MCY C5A C . . . . . 4.7 2.7 5.2 . . . . . A . 6 DC N3 . . B . 1 MCY C5A . A . 6 . N3 . . . B . 1 . C5A . . rr_1q2t 3 16 1 . . 3 1 6 6 DC N3 N . . . 4 1 1 1 MCY C5A C . . . . . 4.7 2.7 5.2 . . . . . C . 6 DC N3 . . D . 1 MCY C5A . C . 6 . N3 . . . D . 1 . C5A . . rr_1q2t 3 17 1 . . 2 1 1 1 MCY H1' H . . . 3 1 7 7 DC H1' H . . . . . 3.7 2.3 3.7 . . . . . B . 1 MCY H1' . . C . 7 DC H1' . B . 1 . H1' . . . C . 7 . H1' . . rr_1q2t 3 18 1 . . 4 1 1 1 MCY H1' H . . . 1 1 7 7 DC H1' H . . . . . 3.7 2.3 3.7 . . . . . D . 1 MCY H1' . . A . 7 DC H1' . D . 1 . H1' . . . A . 7 . H1' . . rr_1q2t 3 19 1 . . 2 1 1 1 MCY C5A C . . . 1 1 7 7 DC H5 H . . . . . 2.7 1.8 3.2 . . . . . B . 1 MCY C5A . . A . 7 DC H5 . B . 1 . C5A . . . A . 7 . H5 . . rr_1q2t 3 20 1 . . 4 1 1 1 MCY C5A C . . . 3 1 7 7 DC H5 H . . . . . 2.7 1.8 3.2 . . . . . D . 1 MCY C5A . . C . 7 DC H5 . D . 1 . C5A . . . C . 7 . H5 . . rr_1q2t 3 21 1 . . 3 1 3 3 DT H6 H . . . 3 1 2 2 DC H1' H . . . . . 4.7 3.3 4.7 . . . . . C . 3 DT H6 . . C . 2 DC H1' . C . 3 . H6 . . . C . 2 . H1' . . rr_1q2t 3 22 1 . . 1 1 3 3 DT H6 H . . . 1 1 2 2 DC H1' H . . . . . 4.7 3.3 4.7 . . . . . A . 3 DT H6 . . A . 2 DC H1' . A . 3 . H6 . . . A . 2 . H1' . . rr_1q2t 3 23 1 . . 3 1 3 3 DT H6 H . . . 3 1 2 2 DC H2' H . . . . . 3.7 2.3 3.7 . . . . . C . 3 DT H6 . . C . 2 DC H2' . C . 3 . H6 . . . C . 2 . H2' . . rr_1q2t 3 24 1 . . 1 1 3 3 DT H6 H . . . 1 1 2 2 DC H2' H . . . . . 3.7 2.3 3.7 . . . . . A . 3 DT H6 . . A . 2 DC H2' . A . 3 . H6 . . . A . 2 . H2' . . rr_1q2t 3 25 1 . . 2 1 2 2 DC H2' H . . . 3 1 5 5 DT H1' H . . . . . 3.7 2.3 3.7 . . . . . B . 2 DC H2' . . C . 5 DT H1' . B . 2 . H2' . . . C . 5 . H1' . . rr_1q2t 3 26 1 . . 4 1 2 2 DC H2' H . . . 1 1 5 5 DT H1' H . . . . . 3.7 2.3 3.7 . . . . . D . 2 DC H2' . . A . 5 DT H1' . D . 2 . H2' . . . A . 5 . H1' . . rr_1q2t 3 27 1 . . 1 1 5 5 DT H1' H . . . 4 1 2 2 DC H1' H . . . . . 3.7 2.3 3.7 . . . . . A . 5 DT H1' . . D . 2 DC H1' . A . 5 . H1' . . . D . 2 . H1' . . rr_1q2t 3 28 1 . . 3 1 5 5 DT H1' H . . . 2 1 2 2 DC H1' H . . . . . 3.7 2.3 3.7 . . . . . C . 5 DT H1' . . B . 2 DC H1' . C . 5 . H1' . . . B . 2 . H1' . . rr_1q2t 3 29 1 . . 2 1 2 2 DC N3 N . . . 3 1 5 5 DT H2' H . . . . . 4.7 2.8 4.7 . . . . . B . 2 DC N3 . . C . 5 DT H2' . B . 2 . N3 . . . C . 5 . H2' . . rr_1q2t 3 30 1 . . 2 1 2 2 DC N3 N . . . 1 1 5 5 DT H2' H . . . . . 4.7 2.8 4.7 . . . . . B . 2 DC N3 . . A . 5 DT H2' . B . 2 . N3 . . . A . 5 . H2' . . rr_1q2t 3 31 1 . . 4 1 2 2 DC N3 N . . . 3 1 5 5 DT H2' H . . . . . 4.7 2.8 4.7 . . . . . D . 2 DC N3 . . C . 5 DT H2' . D . 2 . N3 . . . C . 5 . H2' . . rr_1q2t 3 32 1 . . 4 1 2 2 DC N3 N . . . 1 1 5 5 DT H2' H . . . . . 4.7 2.8 4.7 . . . . . D . 2 DC N3 . . A . 5 DT H2' . D . 2 . N3 . . . A . 5 . H2' . . rr_1q2t 3 33 1 . . 2 1 2 2 DC H42 H . . . 1 1 5 5 DT H2' H . . . . . 2.7 1.8 2.7 . . . . . B . 2 DC H42 . . A . 5 DT H2' . B . 2 . H42 . . . A . 5 . H2' . . rr_1q2t 3 34 1 . . 4 1 2 2 DC H42 H . . . 3 1 5 5 DT H2' H . . . . . 2.7 1.8 2.7 . . . . . D . 2 DC H42 . . C . 5 DT H2' . D . 2 . H42 . . . C . 5 . H2' . . rr_1q2t 3 35 1 . . 2 1 2 2 DC H6 H . . . 3 1 5 5 DT H3 H . . . . . 4.7 3.2 4.7 . . . . . B . 2 DC H6 . . C . 5 DT H3 . B . 2 . H6 . . . C . 5 . H3 . . rr_1q2t 3 36 1 . . 4 1 2 2 DC H6 H . . . 1 1 5 5 DT H3 H . . . . . 4.7 3.2 4.7 . . . . . D . 2 DC H6 . . A . 5 DT H3 . D . 2 . H6 . . . A . 5 . H3 . . rr_1q2t 3 37 1 . . 1 1 5 5 DT H3 H . . . 4 1 2 2 DC H2'' H . . . . . 4.7 3.2 4.7 . . . . . A . 5 DT H3 . . D . 2 DC H2'' . A . 5 . H3 . . . D . 2 . H2'' . . rr_1q2t 3 38 1 . . 3 1 5 5 DT H3 H . . . 2 1 2 2 DC H2'' H . . . . . 4.7 3.2 4.7 . . . . . C . 5 DT H3 . . B . 2 DC H2'' . C . 5 . H3 . . . B . 2 . H2'' . . rr_1q2t 3 39 1 . . 3 1 5 5 DT H3 H . . . 4 1 2 2 DC H42 H . . . . . 3.7 2.3 3.7 . . . . . C . 5 DT H3 . . D . 2 DC H42 . C . 5 . H3 . . . D . 2 . H42 . . rr_1q2t 3 40 1 . . 1 1 5 5 DT H3 H . . . 2 1 2 2 DC H42 H . . . . . 3.7 2.3 3.7 . . . . . A . 5 DT H3 . . B . 2 DC H42 . A . 5 . H3 . . . B . 2 . H42 . . rr_1q2t 3 41 1 . . 1 1 5 5 DT H3 H . . . 4 1 2 2 DC H5 H . . . . . 4.7 3.2 4.7 . . . . . A . 5 DT H3 . . D . 2 DC H5 . A . 5 . H3 . . . D . 2 . H5 . . rr_1q2t 3 42 1 . . 3 1 5 5 DT H3 H . . . 2 1 2 2 DC H5 H . . . . . 4.7 3.2 4.7 . . . . . C . 5 DT H3 . . B . 2 DC H5 . C . 5 . H3 . . . B . 2 . H5 . . rr_1q2t 3 43 1 . . 3 1 5 5 DT H6 H . . . 4 1 2 2 DC H5 H . . . . . 4.7 3.3 4.7 . . . . . C . 5 DT H6 . . D . 2 DC H5 . C . 5 . H6 . . . D . 2 . H5 . . rr_1q2t 3 44 1 . . 1 1 5 5 DT H6 H . . . 2 1 2 2 DC H5 H . . . . . 4.7 3.3 4.7 . . . . . A . 5 DT H6 . . B . 2 DC H5 . A . 5 . H6 . . . B . 2 . H5 . . rr_1q2t 3 45 1 . . 1 1 5 5 DT H3 H . . . 4 1 2 2 DC N3 N . . . . . 3.7 1.8 4.2 . . . . . A . 5 DT H3 . . D . 2 DC N3 . A . 5 . H3 . . . D . 2 . N3 . . rr_1q2t 3 46 1 . . 3 1 5 5 DT H3 H . . . 2 1 2 2 DC N3 N . . . . . 3.7 1.8 4.2 . . . . . C . 5 DT H3 . . B . 2 DC N3 . C . 5 . H3 . . . B . 2 . N3 . . rr_1q2t 3 47 1 . . 3 1 6 6 DC H1' H . . . 2 1 2 2 DC H1' H . . . . . 3.7 2.3 3.7 . . . . . C . 6 DC H1' . . B . 2 DC H1' . C . 6 . H1' . . . B . 2 . H1' . . rr_1q2t 3 48 1 . . 1 1 6 6 DC H1' H . . . 4 1 2 2 DC H1' H . . . . . 3.7 2.3 3.7 . . . . . A . 6 DC H1' . . D . 2 DC H1' . A . 6 . H1' . . . D . 2 . H1' . . rr_1q2t 3 49 1 . . 3 1 6 6 DC H41 H . . . 4 1 2 2 DC N3 N . . . . . 3.7 1.8 4.2 . . . . . C . 6 DC H41 . . D . 2 DC N3 . C . 6 . H41 . . . D . 2 . N3 . . rr_1q2t 3 50 1 . . 1 1 6 6 DC H41 H . . . 2 1 2 2 DC N3 N . . . . . 3.7 1.8 4.2 . . . . . A . 6 DC H41 . . B . 2 DC N3 . A . 6 . H41 . . . B . 2 . N3 . . rr_1q2t 3 51 1 . . 4 1 2 2 DC N3 N . . . 1 1 6 6 DC N3 N . . . . . 3.7 1.8 4.2 . . . . . D . 2 DC N3 . . A . 6 DC N3 . D . 2 . N3 . . . A . 6 . N3 . . rr_1q2t 3 52 1 . . 2 1 2 2 DC N3 N . . . 1 1 6 6 DC N3 N . . . . . 3.7 1.8 4.2 . . . . . B . 2 DC N3 . . A . 6 DC N3 . B . 2 . N3 . . . A . 6 . N3 . . rr_1q2t 3 53 1 . . 2 1 2 2 DC N3 N . . . 3 1 6 6 DC N3 N . . . . . 3.7 1.8 4.2 . . . . . B . 2 DC N3 . . C . 6 DC N3 . B . 2 . N3 . . . C . 6 . N3 . . rr_1q2t 3 54 1 . . 4 1 2 2 DC N3 N . . . 3 1 6 6 DC N3 N . . . . . 3.7 1.8 4.2 . . . . . D . 2 DC N3 . . C . 6 DC N3 . D . 2 . N3 . . . C . 6 . N3 . . rr_1q2t 3 55 1 . . 1 1 3 3 DT H3 H . . . 1 1 2 2 DC H1' H . . . . . 4.7 3.2 4.7 . . . . . A . 3 DT H3 . . A . 2 DC H1' . A . 3 . H3 . . . A . 2 . H1' . . rr_1q2t 3 56 1 . . 3 1 3 3 DT H3 H . . . 3 1 2 2 DC H1' H . . . . . 4.7 3.2 4.7 . . . . . C . 3 DT H3 . . C . 2 DC H1' . C . 3 . H3 . . . C . 2 . H1' . . rr_1q2t 3 57 1 . . 4 1 3 3 DT H3 H . . . 3 1 4 4 DC H41 H . . . . . 3.7 2.8 4.2 . . . . . D . 3 DT H3 . . C . 4 DC H41 . D . 3 . H3 . . . C . 4 . H41 . . rr_1q2t 3 58 1 . . 2 1 3 3 DT H3 H . . . 1 1 4 4 DC H41 H . . . . . 3.7 2.8 4.2 . . . . . B . 3 DT H3 . . A . 4 DC H41 . B . 3 . H3 . . . A . 4 . H41 . . rr_1q2t 3 59 1 . . 1 1 4 4 DC H41 H . . . 2 1 3 3 DT H1' H . . . . . 2.7 1.8 2.7 . . . . . A . 4 DC H41 . . B . 3 DT H1' . A . 4 . H41 . . . B . 3 . H1' . . rr_1q2t 3 60 1 . . 3 1 4 4 DC H41 H . . . 4 1 3 3 DT H1' H . . . . . 2.7 1.8 2.7 . . . . . C . 4 DC H41 . . D . 3 DT H1' . C . 4 . H41 . . . D . 3 . H1' . . rr_1q2t 3 61 1 . . 4 1 3 3 DT H3 H . . . 3 1 4 4 DC H5 H . . . . . 2.7 1.8 2.7 . . . . . D . 3 DT H3 . . C . 4 DC H5 . D . 3 . H3 . . . C . 4 . H5 . . rr_1q2t 3 62 1 . . 2 1 3 3 DT H3 H . . . 1 1 4 4 DC H5 H . . . . . 2.7 1.8 2.7 . . . . . B . 3 DT H3 . . A . 4 DC H5 . B . 3 . H3 . . . A . 4 . H5 . . rr_1q2t 3 63 1 . . 2 1 4 4 DC H42 H . . . 1 1 3 3 DT H2' H . . . . . 2.7 1.8 2.7 . . . . . B . 4 DC H42 . . A . 3 DT H2' . B . 4 . H42 . . . A . 3 . H2' . . rr_1q2t 3 64 1 . . 4 1 4 4 DC H42 H . . . 3 1 3 3 DT H2' H . . . . . 2.7 1.8 2.7 . . . . . D . 4 DC H42 . . C . 3 DT H2' . D . 4 . H42 . . . C . 3 . H2' . . rr_1q2t 3 65 1 . . 1 1 3 3 DT H2'' H . . . 2 1 4 4 DC H41 H . . . . . 3.7 2.3 3.7 . . . . . A . 3 DT H2'' . . B . 4 DC H41 . A . 3 . H2'' . . . B . 4 . H41 . . rr_1q2t 3 66 1 . . 3 1 3 3 DT H2'' H . . . 4 1 4 4 DC H41 H . . . . . 3.7 2.3 3.7 . . . . . C . 3 DT H2'' . . D . 4 DC H41 . C . 3 . H2'' . . . D . 4 . H41 . . rr_1q2t 3 67 1 . . 2 1 4 4 DC H1' H . . . 3 1 3 3 DT H2'' H . . . . . 3.7 2.3 3.7 . . . . . B . 4 DC H1' . . C . 3 DT H2'' . B . 4 . H1' . . . C . 3 . H2'' . . rr_1q2t 3 68 1 . . 4 1 4 4 DC H1' H . . . 1 1 3 3 DT H2'' H . . . . . 3.7 2.3 3.7 . . . . . D . 4 DC H1' . . A . 3 DT H2'' . D . 4 . H1' . . . A . 3 . H2'' . . rr_1q2t 3 69 1 . . 1 1 3 3 DT H3 H . . . 4 1 4 4 DC H2'' H . . . . . 4.7 3.2 4.7 . . . . . A . 3 DT H3 . . D . 4 DC H2'' . A . 3 . H3 . . . D . 4 . H2'' . . rr_1q2t 3 70 1 . . 3 1 3 3 DT H3 H . . . 2 1 4 4 DC H2'' H . . . . . 4.7 3.2 4.7 . . . . . C . 3 DT H3 . . B . 4 DC H2'' . C . 3 . H3 . . . B . 4 . H2'' . . rr_1q2t 3 71 1 . . 3 1 3 3 DT H3 H . . . 4 1 4 4 DC H42 H . . . . . 3.7 2.3 3.7 . . . . . C . 3 DT H3 . . D . 4 DC H42 . C . 3 . H3 . . . D . 4 . H42 . . rr_1q2t 3 72 1 . . 1 1 3 3 DT H3 H . . . 2 1 4 4 DC H42 H . . . . . 3.7 2.3 3.7 . . . . . A . 3 DT H3 . . B . 4 DC H42 . A . 3 . H3 . . . B . 4 . H42 . . rr_1q2t 3 73 1 . . 1 1 3 3 DT H3 H . . . 2 1 4 4 DC N3 N . . . . . 3.7 1.8 4.2 . . . . . A . 3 DT H3 . . B . 4 DC N3 . A . 3 . H3 . . . B . 4 . N3 . . rr_1q2t 3 74 1 . . 3 1 3 3 DT H3 H . . . 4 1 4 4 DC N3 N . . . . . 3.7 1.8 4.2 . . . . . C . 3 DT H3 . . D . 4 DC N3 . C . 3 . H3 . . . D . 4 . N3 . . rr_1q2t 3 75 1 . . 1 1 3 3 DT H6 H . . . 2 1 4 4 DC H41 H . . . . . 2.7 1.8 2.7 . . . . . A . 3 DT H6 . . B . 4 DC H41 . A . 3 . H6 . . . B . 4 . H41 . . rr_1q2t 3 76 1 . . 3 1 3 3 DT H6 H . . . 4 1 4 4 DC H41 H . . . . . 2.7 1.8 2.7 . . . . . C . 3 DT H6 . . D . 4 DC H41 . C . 3 . H6 . . . D . 4 . H41 . . rr_1q2t 3 77 1 . . 2 1 4 4 DC H1' H . . . 3 1 4 4 DC H1' H . . . . . 3.7 2.3 3.7 . . . . . B . 4 DC H1' . . C . 4 DC H1' . B . 4 . H1' . . . C . 4 . H1' . . rr_1q2t 3 78 1 . . 4 1 4 4 DC H1' H . . . 1 1 4 4 DC H1' H . . . . . 3.7 2.3 3.7 . . . . . D . 4 DC H1' . . A . 4 DC H1' . D . 4 . H1' . . . A . 4 . H1' . . rr_1q2t 3 79 1 . . 1 1 4 4 DC H41 H . . . 2 1 4 4 DC H41 H . . . . . 2.7 1.8 2.7 . . . . . A . 4 DC H41 . . B . 4 DC H41 . A . 4 . H41 . . . B . 4 . H41 . . rr_1q2t 3 80 1 . . 3 1 4 4 DC H41 H . . . 4 1 4 4 DC H41 H . . . . . 2.7 1.8 2.7 . . . . . C . 4 DC H41 . . D . 4 DC H41 . C . 4 . H41 . . . D . 4 . H41 . . rr_1q2t 3 81 1 . . 4 1 4 4 DC H5 H . . . 3 1 4 4 DC H42 H . . . . . 3.7 2.3 3.7 . . . . . D . 4 DC H5 . . C . 4 DC H42 . D . 4 . H5 . . . C . 4 . H42 . . rr_1q2t 3 82 1 . . 2 1 4 4 DC H5 H . . . 1 1 4 4 DC H42 H . . . . . 3.7 2.3 3.7 . . . . . B . 4 DC H5 . . A . 4 DC H42 . B . 4 . H5 . . . A . 4 . H42 . . rr_1q2t 3 83 1 . . 3 1 4 4 DC H5 H . . . 4 1 4 4 DC H41 H . . . . . 2.7 1.8 2.7 . . . . . C . 4 DC H5 . . D . 4 DC H41 . C . 4 . H5 . . . D . 4 . H41 . . rr_1q2t 3 84 1 . . 1 1 4 4 DC H5 H . . . 2 1 4 4 DC H41 H . . . . . 2.7 1.8 2.7 . . . . . A . 4 DC H5 . . B . 4 DC H41 . A . 4 . H5 . . . B . 4 . H41 . . rr_1q2t 3 85 1 . . 3 1 5 5 DT H6 H . . . 3 1 4 4 DC H2' H . . . . . 3.7 2.3 3.7 . . . . . C . 5 DT H6 . . C . 4 DC H2' . C . 5 . H6 . . . C . 4 . H2' . . rr_1q2t 3 86 1 . . 1 1 5 5 DT H6 H . . . 1 1 4 4 DC H2' H . . . . . 3.7 2.3 3.7 . . . . . A . 5 DT H6 . . A . 4 DC H2' . A . 5 . H6 . . . A . 4 . H2' . . rr_1q2t 3 87 1 . . 3 1 4 4 DC H3' H . . . 3 1 5 5 DT H6 H . . . . . 3.7 2.3 3.7 . . . . . C . 4 DC H3' . . C . 5 DT H6 . C . 4 . H3' . . . C . 5 . H6 . . rr_1q2t 3 88 1 . . 1 1 4 4 DC H3' H . . . 1 1 5 5 DT H6 H . . . . . 3.7 2.3 3.7 . . . . . A . 4 DC H3' . . A . 5 DT H6 . A . 4 . H3' . . . A . 5 . H6 . . rr_1q2t 3 89 1 . . 1 1 2 2 DC H41 H . . . 2 1 5 5 DT H3 H . . . . . 3.7 2.8 4.2 . . . . . A . 2 DC H41 . . B . 5 DT H3 . A . 2 . H41 . . . B . 5 . H3 . . rr_1q2t 3 90 1 . . 3 1 2 2 DC H41 H . . . 4 1 5 5 DT H3 H . . . . . 3.7 2.8 4.2 . . . . . C . 2 DC H41 . . D . 5 DT H3 . C . 2 . H41 . . . D . 5 . H3 . . rr_1q2t 3 91 1 . . 3 1 2 2 DC H42 H . . . 4 1 5 5 DT H3 H . . . . . 4.7 3.7 5.2 . . . . . C . 2 DC H42 . . D . 5 DT H3 . C . 2 . H42 . . . D . 5 . H3 . . rr_1q2t 3 92 1 . . 1 1 2 2 DC H42 H . . . 2 1 5 5 DT H3 H . . . . . 4.7 3.7 5.2 . . . . . A . 2 DC H42 . . B . 5 DT H3 . A . 2 . H42 . . . B . 5 . H3 . . rr_1q2t 3 93 1 . . 1 1 2 2 DC H5 H . . . 2 1 5 5 DT H3 H . . . . . 3.7 2.3 4.2 . . . . . A . 2 DC H5 . . B . 5 DT H3 . A . 2 . H5 . . . B . 5 . H3 . . rr_1q2t 3 94 1 . . 3 1 2 2 DC H5 H . . . 4 1 5 5 DT H3 H . . . . . 3.7 2.3 4.2 . . . . . C . 2 DC H5 . . D . 5 DT H3 . C . 2 . H5 . . . D . 5 . H3 . . rr_1q2t 3 95 1 . . 1 1 2 2 DC H6 H . . . 2 1 5 5 DT H3 H . . . . . 4.7 3.7 5.2 . . . . . A . 2 DC H6 . . B . 5 DT H3 . A . 2 . H6 . . . B . 5 . H3 . . rr_1q2t 3 96 1 . . 3 1 2 2 DC H6 H . . . 4 1 5 5 DT H3 H . . . . . 4.7 3.7 5.2 . . . . . C . 2 DC H6 . . D . 5 DT H3 . C . 2 . H6 . . . D . 5 . H3 . . rr_1q2t 3 97 1 . . 1 1 1 1 MCY H2'' H . . . 2 1 6 6 DC H42 H . . . . . 3.7 2.3 3.7 . . . . . A . 1 MCY H2'' . . B . 6 DC H42 . A . 1 . H2'' . . . B . 6 . H42 . . rr_1q2t 3 98 1 . . 3 1 1 1 MCY H2'' H . . . 4 1 6 6 DC H42 H . . . . . 3.7 2.3 3.7 . . . . . C . 1 MCY H2'' . . D . 6 DC H42 . C . 1 . H2'' . . . D . 6 . H42 . . rr_1q2t 3 99 1 . . 3 1 2 2 DC H1' H . . . 2 1 6 6 DC H1' H . . . . . 3.7 2.3 3.7 . . . . . C . 2 DC H1' . . B . 6 DC H1' . C . 2 . H1' . . . B . 6 . H1' . . rr_1q2t 3 100 1 . . 1 1 2 2 DC H1' H . . . 4 1 6 6 DC H1' H . . . . . 3.7 2.3 3.7 . . . . . A . 2 DC H1' . . D . 6 DC H1' . A . 2 . H1' . . . D . 6 . H1' . . rr_1q2t 3 101 1 . . 2 1 6 6 DC H5 H . . . 2 1 5 5 DT H1' H . . . . . 3.7 2.3 3.7 . . . . . B . 6 DC H5 . . B . 5 DT H1' . B . 6 . H5 . . . B . 5 . H1' . . rr_1q2t 3 102 1 . . 4 1 6 6 DC H5 H . . . 4 1 5 5 DT H1' H . . . . . 3.7 2.3 3.7 . . . . . D . 6 DC H5 . . D . 5 DT H1' . D . 6 . H5 . . . D . 5 . H1' . . rr_1q2t 3 103 1 . . 4 1 6 6 DC H6 H . . . 4 1 5 5 DT H1' H . . . . . 3.7 2.3 3.7 . . . . . D . 6 DC H6 . . D . 5 DT H1' . D . 6 . H6 . . . D . 5 . H1' . . rr_1q2t 3 104 1 . . 2 1 6 6 DC H6 H . . . 2 1 5 5 DT H1' H . . . . . 3.7 2.3 3.7 . . . . . B . 6 DC H6 . . B . 5 DT H1' . B . 6 . H6 . . . B . 5 . H1' . . rr_1q2t 3 105 1 . . 1 1 6 6 DC H6 H . . . 1 1 5 5 DT H2' H . . . . . 4.7 3.2 4.7 . . . . . A . 6 DC H6 . . A . 5 DT H2' . A . 6 . H6 . . . A . 5 . H2' . . rr_1q2t 3 106 1 . . 3 1 6 6 DC H6 H . . . 3 1 5 5 DT H2' H . . . . . 4.7 3.2 4.7 . . . . . C . 6 DC H6 . . C . 5 DT H2' . C . 6 . H6 . . . C . 5 . H2' . . rr_1q2t 3 107 1 . . 1 1 5 5 DT H3' H . . . 1 1 6 6 DC H5 H . . . . . 4.7 3.2 4.7 . . . . . A . 5 DT H3' . . A . 6 DC H5 . A . 5 . H3' . . . A . 6 . H5 . . rr_1q2t 3 108 1 . . 3 1 5 5 DT H3' H . . . 3 1 6 6 DC H5 H . . . . . 4.7 3.2 4.7 . . . . . C . 5 DT H3' . . C . 6 DC H5 . C . 5 . H3' . . . C . 6 . H5 . . rr_1q2t 3 109 1 . . 2 1 7 7 DC H5 H . . . 1 1 1 1 MCY C5A C . . . . . 2.7 1.8 3.2 . . . . . B . 7 DC H5 . . A . 1 MCY C5A . B . 7 . H5 . . . A . 1 . C5A . . rr_1q2t 3 110 1 . . 4 1 7 7 DC H5 H . . . 3 1 1 1 MCY C5A C . . . . . 2.7 1.8 3.2 . . . . . D . 7 DC H5 . . C . 1 MCY C5A . D . 7 . H5 . . . C . 1 . C5A . . rr_1q2t 3 111 1 . . 2 1 7 7 DC H1' H . . . 3 1 1 1 MCY H1' H . . . . . 3.7 2.3 3.7 . . . . . B . 7 DC H1' . . C . 1 MCY H1' . B . 7 . H1' . . . C . 1 . H1' . . rr_1q2t 3 112 1 . . 4 1 7 7 DC H1' H . . . 1 1 1 1 MCY H1' H . . . . . 3.7 2.3 3.7 . . . . . D . 7 DC H1' . . A . 1 MCY H1' . D . 7 . H1' . . . A . 1 . H1' . . rr_1q2t 3 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 'Inter residue distance restraints' 1 2 1 62 rr_1q2t 3 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 4 9 1 "Not handling restraint 9, item 1, resonance(s) 'D.1.H42' (nmrStar names) not linked" rr_1q2t 3 2 4 10 1 "Not handling restraint 10, item 1, resonance(s) 'B.1.H42' (nmrStar names) not linked" rr_1q2t 3 3 4 23 1 "Not handling restraint 23, item 1, resonance(s) 'A.3.C5A' (nmrStar names) not linked" rr_1q2t 3 4 4 24 1 "Not handling restraint 24, item 1, resonance(s) 'D.3.C5A' (nmrStar names) not linked" rr_1q2t 3 5 4 25 1 "Not handling restraint 25, item 1, resonance(s) 'C.3.C5A' (nmrStar names) not linked" rr_1q2t 3 6 4 26 1 "Not handling restraint 26, item 1, resonance(s) 'B.3.C5A' (nmrStar names) not linked" rr_1q2t 3 7 4 27 1 "Not handling restraint 27, item 1, resonance(s) 'A.3.C5A' (nmrStar names) not linked" rr_1q2t 3 8 4 28 1 "Not handling restraint 28, item 1, resonance(s) 'C.3.C5A' (nmrStar names) not linked" rr_1q2t 3 9 4 29 1 "Not handling restraint 29, item 1, resonance(s) 'A.3.C5A' (nmrStar names) not linked" rr_1q2t 3 10 4 30 1 "Not handling restraint 30, item 1, resonance(s) 'C.3.C5A' (nmrStar names) not linked" rr_1q2t 3 11 4 35 1 "Not handling restraint 35, item 1, resonance(s) 'A.5.C5A' (nmrStar names) not linked" rr_1q2t 3 12 4 36 1 "Not handling restraint 36, item 1, resonance(s) 'C.5.C5A' (nmrStar names) not linked" rr_1q2t 3 13 4 37 1 "Not handling restraint 37, item 1, resonance(s) 'A.5.C5A' (nmrStar names) not linked" rr_1q2t 3 14 4 38 1 "Not handling restraint 38, item 1, resonance(s) 'C.5.C5A' (nmrStar names) not linked" rr_1q2t 3 15 4 39 1 "Not handling restraint 39, item 1, resonance(s) 'C.5.C5A' (nmrStar names) not linked" rr_1q2t 3 16 4 40 1 "Not handling restraint 40, item 1, resonance(s) 'A.5.C5A' (nmrStar names) not linked" rr_1q2t 3 17 4 41 1 "Not handling restraint 41, item 1, resonance(s) 'A.5.C5A' (nmrStar names) not linked" rr_1q2t 3 18 4 42 1 "Not handling restraint 42, item 1, resonance(s) 'C.5.C5A' (nmrStar names) not linked" rr_1q2t 3 19 4 81 1 "Not handling restraint 81, item 1, resonance(s) 'C.5.C5A' (nmrStar names) not linked" rr_1q2t 3 20 4 82 1 "Not handling restraint 82, item 1, resonance(s) 'A.5.C5A' (nmrStar names) not linked" rr_1q2t 3 21 4 83 1 "Not handling restraint 83, item 1, resonance(s) 'C.3.C5A' (nmrStar names) not linked" rr_1q2t 3 22 4 84 1 "Not handling restraint 84, item 1, resonance(s) 'A.3.C5A' (nmrStar names) not linked" rr_1q2t 3 23 4 85 1 "Not handling restraint 85, item 1, resonance(s) 'C.3.C5A' (nmrStar names) not linked" rr_1q2t 3 24 4 86 1 "Not handling restraint 86, item 1, resonance(s) 'A.3.C5A' (nmrStar names) not linked" rr_1q2t 3 25 4 87 1 "Not handling restraint 87, item 1, resonance(s) 'A.3.C5A' (nmrStar names) not linked" rr_1q2t 3 26 4 88 1 "Not handling restraint 88, item 1, resonance(s) 'C.3.C5A' (nmrStar names) not linked" rr_1q2t 3 27 4 89 1 "Not handling restraint 89, item 1, resonance(s) 'C.3.C5A' (nmrStar names) not linked" rr_1q2t 3 28 4 90 1 "Not handling restraint 90, item 1, resonance(s) 'A.3.C5A' (nmrStar names) not linked" rr_1q2t 3 29 4 113 1 "Not handling restraint 113, item 1, resonance(s) 'A.5.C5A' (nmrStar names) not linked" rr_1q2t 3 30 4 114 1 "Not handling restraint 114, item 1, resonance(s) 'C.5.C5A' (nmrStar names) not linked" rr_1q2t 3 31 4 115 1 "Not handling restraint 115, item 1, resonance(s) 'A.5.C5A' (nmrStar names) not linked" rr_1q2t 3 32 4 116 1 "Not handling restraint 116, item 1, resonance(s) 'B.5.C5A' (nmrStar names) not linked" rr_1q2t 3 33 4 117 1 "Not handling restraint 117, item 1, resonance(s) 'C.5.C5A' (nmrStar names) not linked" rr_1q2t 3 34 4 118 1 "Not handling restraint 118, item 1, resonance(s) 'D.5.C5A' (nmrStar names) not linked" rr_1q2t 3 35 4 119 1 "Not handling restraint 119, item 1, resonance(s) 'C.5.C5A' (nmrStar names) not linked" rr_1q2t 3 36 4 120 1 "Not handling restraint 120, item 1, resonance(s) 'A.5.C5A' (nmrStar names) not linked" rr_1q2t 3 37 4 121 1 "Not handling restraint 121, item 1, resonance(s) 'C.5.C5A' (nmrStar names) not linked" rr_1q2t 3 38 4 122 1 "Not handling restraint 122, item 1, resonance(s) 'A.5.C5A' (nmrStar names) not linked" rr_1q2t 3 stop_ save_ save_CNS/XPLOR_distance_constraints_6 _Gen_dist_constraint_list.Sf_category general_distance_constraints _Gen_dist_constraint_list.Sf_framecode CNS/XPLOR_distance_constraints_6 _Gen_dist_constraint_list.Entry_ID rr_1q2t _Gen_dist_constraint_list.ID 5 _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 6 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_1q2t 4 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 OR . 3 1 5 5 DT H3 H . . . 2 1 2 2 DC H41 H . . . . . 3.7 2.3 23.7 . . . . . C . 5 DT H3 . . B . 2 DC H41 . C . 5 . H3 . . . B . 2 . H41 . . rr_1q2t 4 1 2 OR . 1 1 5 5 DT H3 H . . . 2 1 2 2 DC H41 H . . . . . 3.7 2.3 23.7 . . . . . A . 5 DT H3 . . B . 2 DC H41 . A . 5 . H3 . . . B . 2 . H41 . . rr_1q2t 4 2 1 OR . 3 1 5 5 DT H3 H . . . 4 1 2 2 DC H41 H . . . . . 3.7 2.3 23.7 . . . . . C . 5 DT H3 . . D . 2 DC H41 . C . 5 . H3 . . . D . 2 . H41 . . rr_1q2t 4 2 2 OR . 1 1 5 5 DT H3 H . . . 4 1 2 2 DC H41 H . . . . . 3.7 2.3 23.7 . . . . . A . 5 DT H3 . . D . 2 DC H41 . A . 5 . H3 . . . D . 2 . H41 . . rr_1q2t 4 3 1 OR . 3 1 5 5 DT H3 H . . . 1 1 4 4 DC H5 H . . . . . 3.7 2.3 3.7 . . . . . C . 5 DT H3 . . A . 4 DC H5 . C . 5 . H3 . . . A . 4 . H5 . . rr_1q2t 4 3 2 OR . 1 1 5 5 DT H3 H . . . 1 1 4 4 DC H5 H . . . . . 3.7 2.3 3.7 . . . . . A . 5 DT H3 . . A . 4 DC H5 . A . 5 . H3 . . . A . 4 . H5 . . rr_1q2t 4 4 1 OR . 3 1 5 5 DT H3 H . . . 3 1 4 4 DC H5 H . . . . . 3.7 2.3 3.7 . . . . . C . 5 DT H3 . . C . 4 DC H5 . C . 5 . H3 . . . C . 4 . H5 . . rr_1q2t 4 4 2 OR . 1 1 5 5 DT H3 H . . . 3 1 4 4 DC H5 H . . . . . 3.7 2.3 3.7 . . . . . A . 5 DT H3 . . C . 4 DC H5 . A . 5 . H3 . . . C . 4 . H5 . . rr_1q2t 4 5 1 OR . 3 1 3 3 DT H3 H . . . 2 1 4 4 DC H6 H . . . . . 4.7 3.2 4.7 . . . . . C . 3 DT H3 . . B . 4 DC H6 . C . 3 . H3 . . . B . 4 . H6 . . rr_1q2t 4 5 2 OR . 1 1 3 3 DT H3 H . . . 2 1 4 4 DC H6 H . . . . . 4.7 3.2 4.7 . . . . . A . 3 DT H3 . . B . 4 DC H6 . A . 3 . H3 . . . B . 4 . H6 . . rr_1q2t 4 6 1 OR . 3 1 3 3 DT H3 H . . . 4 1 4 4 DC H6 H . . . . . 4.7 3.2 4.7 . . . . . C . 3 DT H3 . . D . 4 DC H6 . C . 3 . H3 . . . D . 4 . H6 . . rr_1q2t 4 6 2 OR . 1 1 3 3 DT H3 H . . . 4 1 4 4 DC H6 H . . . . . 4.7 3.2 4.7 . . . . . A . 3 DT H3 . . D . 4 DC H6 . A . 3 . H3 . . . D . 4 . H6 . . rr_1q2t 4 7 1 OR . 3 1 5 5 DT H3 H . . . 1 1 4 4 DC H2'' H . . . . . 4.7 3.2 4.7 . . . . . C . 5 DT H3 . . A . 4 DC H2'' . C . 5 . H3 . . . A . 4 . H2'' . . rr_1q2t 4 7 2 OR . 1 1 5 5 DT H3 H . . . 1 1 4 4 DC H2'' H . . . . . 4.7 3.2 4.7 . . . . . A . 5 DT H3 . . A . 4 DC H2'' . A . 5 . H3 . . . A . 4 . H2'' . . rr_1q2t 4 8 1 OR . 3 1 5 5 DT H3 H . . . 3 1 4 4 DC H2'' H . . . . . 4.7 3.2 4.7 . . . . . C . 5 DT H3 . . C . 4 DC H2'' . C . 5 . H3 . . . C . 4 . H2'' . . rr_1q2t 4 8 2 OR . 1 1 5 5 DT H3 H . . . 3 1 4 4 DC H2'' H . . . . . 4.7 3.2 4.7 . . . . . A . 5 DT H3 . . C . 4 DC H2'' . A . 5 . H3 . . . C . 4 . H2'' . . rr_1q2t 4 9 1 OR . 1 1 3 3 DT H3 H . . . 3 1 2 2 DC H42 H . . . . . 2.7 1.8 2.7 . . . . . A . 3 DT H3 . . C . 2 DC H42 . A . 3 . H3 . . . C . 2 . H42 . . rr_1q2t 4 9 2 OR . 1 1 3 3 DT H3 H . . . 1 1 2 2 DC H42 H . . . . . 2.7 1.8 2.7 . . . . . A . 3 DT H3 . . A . 2 DC H42 . A . 3 . H3 . . . A . 2 . H42 . . rr_1q2t 4 10 1 OR . 3 1 3 3 DT H3 H . . . 3 1 2 2 DC H42 H . . . . . 2.7 1.8 2.7 . . . . . C . 3 DT H3 . . C . 2 DC H42 . C . 3 . H3 . . . C . 2 . H42 . . rr_1q2t 4 10 2 OR . 3 1 3 3 DT H3 H . . . 1 1 2 2 DC H42 H . . . . . 2.7 1.8 2.7 . . . . . C . 3 DT H3 . . A . 2 DC H42 . C . 3 . H3 . . . A . 2 . H42 . . rr_1q2t 4 11 1 OR . 1 1 5 5 DT H3 H . . . 3 1 4 4 DC H42 H . . . . . 2.7 1.8 2.7 . . . . . A . 5 DT H3 . . C . 4 DC H42 . A . 5 . H3 . . . C . 4 . H42 . . rr_1q2t 4 11 2 OR . 1 1 5 5 DT H3 H . . . 1 1 4 4 DC H42 H . . . . . 2.7 1.8 2.7 . . . . . A . 5 DT H3 . . A . 4 DC H42 . A . 5 . H3 . . . A . 4 . H42 . . rr_1q2t 4 12 1 OR . 3 1 5 5 DT H3 H . . . 3 1 4 4 DC H42 H . . . . . 2.7 1.8 2.7 . . . . . C . 5 DT H3 . . C . 4 DC H42 . C . 5 . H3 . . . C . 4 . H42 . . rr_1q2t 4 12 2 OR . 3 1 5 5 DT H3 H . . . 1 1 4 4 DC H42 H . . . . . 2.7 1.8 2.7 . . . . . C . 5 DT H3 . . A . 4 DC H42 . C . 5 . H3 . . . A . 4 . H42 . . rr_1q2t 4 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 'ambiguous restraints' 1 1 1 23 rr_1q2t 4 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 6 5 1 "Not handling restraint 5, item 1, resonance(s) 'A.3.C5A' (nmrStar names) not linked" rr_1q2t 4 2 6 5 1 "Not handling restraint 5, item 1, resonance(s) 'A.3.C5A' (nmrStar names) not linked" rr_1q2t 4 3 6 6 1 "Not handling restraint 6, item 1, resonance(s) 'C.3.C5A' (nmrStar names) not linked" rr_1q2t 4 4 6 6 1 "Not handling restraint 6, item 1, resonance(s) 'C.3.C5A' (nmrStar names) not linked" rr_1q2t 4 stop_ save_ save_CNS/XPLOR_distance_constraints_5 _Gen_dist_constraint_list.Sf_category general_distance_constraints _Gen_dist_constraint_list.Sf_framecode CNS/XPLOR_distance_constraints_5 _Gen_dist_constraint_list.Entry_ID rr_1q2t _Gen_dist_constraint_list.ID 4 _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 5 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_1q2t 5 stop_ loop_ _Gen_dist_constraint.ID _Gen_dist_constraint.Member_ID _Gen_dist_constraint.Member_logic_code _Gen_dist_constraint.Assembly_atom_ID_1 _Gen_dist_constraint.Entity_assembly_ID_1 _Gen_dist_constraint.Entity_ID_1 _Gen_dist_constraint.Comp_index_ID_1 _Gen_dist_constraint.Seq_ID_1 _Gen_dist_constraint.Comp_ID_1 _Gen_dist_constraint.Atom_ID_1 _Gen_dist_constraint.Atom_type_1 _Gen_dist_constraint.Atom_isotope_number_1 _Gen_dist_constraint.Resonance_ID_1 _Gen_dist_constraint.Assembly_atom_ID_2 _Gen_dist_constraint.Entity_assembly_ID_2 _Gen_dist_constraint.Entity_ID_2 _Gen_dist_constraint.Comp_index_ID_2 _Gen_dist_constraint.Seq_ID_2 _Gen_dist_constraint.Comp_ID_2 _Gen_dist_constraint.Atom_ID_2 _Gen_dist_constraint.Atom_type_2 _Gen_dist_constraint.Atom_isotope_number_2 _Gen_dist_constraint.Resonance_ID_2 _Gen_dist_constraint.Intensity_val _Gen_dist_constraint.Intensity_lower_val_err _Gen_dist_constraint.Intensity_upper_val_err _Gen_dist_constraint.Distance_val _Gen_dist_constraint.Distance_lower_bound_val _Gen_dist_constraint.Distance_upper_bound_val _Gen_dist_constraint.Contribution_fractional_val _Gen_dist_constraint.Spectral_peak_ID _Gen_dist_constraint.Spectral_peak_list_ID _Gen_dist_constraint.PDB_record_ID_1 _Gen_dist_constraint.PDB_model_num_1 _Gen_dist_constraint.PDB_strand_ID_1 _Gen_dist_constraint.PDB_ins_code_1 _Gen_dist_constraint.PDB_residue_no_1 _Gen_dist_constraint.PDB_residue_name_1 _Gen_dist_constraint.PDB_atom_name_1 _Gen_dist_constraint.PDB_record_ID_2 _Gen_dist_constraint.PDB_model_num_2 _Gen_dist_constraint.PDB_strand_ID_2 _Gen_dist_constraint.PDB_ins_code_2 _Gen_dist_constraint.PDB_residue_no_2 _Gen_dist_constraint.PDB_residue_name_2 _Gen_dist_constraint.PDB_atom_name_2 _Gen_dist_constraint.Auth_entity_assembly_ID_1 _Gen_dist_constraint.Auth_asym_ID_1 _Gen_dist_constraint.Auth_chain_ID_1 _Gen_dist_constraint.Auth_seq_ID_1 _Gen_dist_constraint.Auth_comp_ID_1 _Gen_dist_constraint.Auth_atom_ID_1 _Gen_dist_constraint.Auth_alt_ID_1 _Gen_dist_constraint.Auth_atom_name_1 _Gen_dist_constraint.Auth_entity_assembly_ID_2 _Gen_dist_constraint.Auth_asym_ID_2 _Gen_dist_constraint.Auth_chain_ID_2 _Gen_dist_constraint.Auth_seq_ID_2 _Gen_dist_constraint.Auth_comp_ID_2 _Gen_dist_constraint.Auth_atom_ID_2 _Gen_dist_constraint.Auth_alt_ID_2 _Gen_dist_constraint.Auth_atom_name_2 _Gen_dist_constraint.Entry_ID _Gen_dist_constraint.Gen_dist_constraint_list_ID 1 1 . . 1 1 1 1 MCY N3 N . . . 3 1 1 1 MCY N3 N . . . . . 2.76 2.66 2.86 . . . . . A . 1 MCY N3 . . C . 1 MCY N3 . A . 1 . N3 . . . C . 1 . N3 . . rr_1q2t 5 2 1 . . 1 1 2 2 DC N3 N . . . 3 1 2 2 DC N3 N . . . . . 2.76 2.66 2.86 . . . . . A . 2 DC N3 . . C . 2 DC N3 . A . 2 . N3 . . . C . 2 . N3 . . rr_1q2t 5 3 1 . . 1 1 2 2 DC H42 H . . . 3 1 2 2 DC O2 O . . . . . 1.74 1.64 1.84 . . . . . A . 2 DC H42 . . C . 2 DC O2 . A . 2 . H42 . . . C . 2 . O2 . . rr_1q2t 5 4 1 . . 3 1 2 2 DC H42 H . . . 1 1 2 2 DC O2 O . . . . . 1.74 1.64 1.84 . . . . . C . 2 DC H42 . . A . 2 DC O2 . C . 2 . H42 . . . A . 2 . O2 . . rr_1q2t 5 5 1 . . 1 1 4 4 DC N3 N . . . 3 1 4 4 DC N3 N . . . . . 2.76 2.66 2.86 . . . . . A . 4 DC N3 . . C . 4 DC N3 . A . 4 . N3 . . . C . 4 . N3 . . rr_1q2t 5 6 1 . . 1 1 4 4 DC H42 H . . . 3 1 4 4 DC O2 O . . . . . 1.74 1.64 1.84 . . . . . A . 4 DC H42 . . C . 4 DC O2 . A . 4 . H42 . . . C . 4 . O2 . . rr_1q2t 5 7 1 . . 3 1 4 4 DC H42 H . . . 1 1 4 4 DC O2 O . . . . . 1.74 1.64 1.84 . . . . . C . 4 DC H42 . . A . 4 DC O2 . C . 4 . H42 . . . A . 4 . O2 . . rr_1q2t 5 8 1 . . 1 1 6 6 DC N3 N . . . 3 1 6 6 DC N3 N . . . . . 2.76 2.66 2.86 . . . . . A . 6 DC N3 . . C . 6 DC N3 . A . 6 . N3 . . . C . 6 . N3 . . rr_1q2t 5 9 1 . . 1 1 6 6 DC H42 H . . . 3 1 6 6 DC O2 O . . . . . 1.74 1.64 1.84 . . . . . A . 6 DC H42 . . C . 6 DC O2 . A . 6 . H42 . . . C . 6 . O2 . . rr_1q2t 5 10 1 . . 1 1 6 6 DC O2 O . . . 3 1 6 6 DC H42 H . . . . . 1.74 1.64 1.84 . . . . . A . 6 DC O2 . . C . 6 DC H42 . A . 6 . O2 . . . C . 6 . H42 . . rr_1q2t 5 11 1 . . 1 1 7 7 DC N3 N . . . 3 1 7 7 DC N3 N . . . . . 2.76 2.66 2.86 . . . . . A . 7 DC N3 . . C . 7 DC N3 . A . 7 . N3 . . . C . 7 . N3 . . rr_1q2t 5 12 1 . . 1 1 7 7 DC H42 H . . . 3 1 7 7 DC O2 O . . . . . 1.74 1.64 1.84 . . . . . A . 7 DC H42 . . C . 7 DC O2 . A . 7 . H42 . . . C . 7 . O2 . . rr_1q2t 5 13 1 . . 1 1 7 7 DC O2 O . . . 3 1 7 7 DC H42 H . . . . . 1.74 1.64 1.84 . . . . . A . 7 DC O2 . . C . 7 DC H42 . A . 7 . O2 . . . C . 7 . H42 . . rr_1q2t 5 14 1 . . 2 1 1 1 MCY N3 N . . . 4 1 1 1 MCY N3 N . . . . . 2.76 2.66 2.86 . . . . . B . 1 MCY N3 . . D . 1 MCY N3 . B . 1 . N3 . . . D . 1 . N3 . . rr_1q2t 5 15 1 . . 4 1 2 2 DC N3 N . . . 2 1 2 2 DC N3 N . . . . . 2.76 2.66 2.86 . . . . . D . 2 DC N3 . . B . 2 DC N3 . D . 2 . N3 . . . B . 2 . N3 . . rr_1q2t 5 16 1 . . 2 1 2 2 DC H42 H . . . 4 1 2 2 DC O2 O . . . . . 1.74 1.64 1.84 . . . . . B . 2 DC H42 . . D . 2 DC O2 . B . 2 . H42 . . . D . 2 . O2 . . rr_1q2t 5 17 1 . . 4 1 2 2 DC H42 H . . . 2 1 2 2 DC O2 O . . . . . 1.74 1.64 1.84 . . . . . D . 2 DC H42 . . B . 2 DC O2 . D . 2 . H42 . . . B . 2 . O2 . . rr_1q2t 5 18 1 . . 2 1 4 4 DC N3 N . . . 4 1 4 4 DC N3 N . . . . . 2.76 2.66 2.86 . . . . . B . 4 DC N3 . . D . 4 DC N3 . B . 4 . N3 . . . D . 4 . N3 . . rr_1q2t 5 19 1 . . 2 1 4 4 DC H42 H . . . 4 1 4 4 DC O2 O . . . . . 1.74 1.64 1.84 . . . . . B . 4 DC H42 . . D . 4 DC O2 . B . 4 . H42 . . . D . 4 . O2 . . rr_1q2t 5 20 1 . . 4 1 4 4 DC H42 H . . . 2 1 4 4 DC O2 O . . . . . 1.74 1.64 1.84 . . . . . D . 4 DC H42 . . B . 4 DC O2 . D . 4 . H42 . . . B . 4 . O2 . . rr_1q2t 5 21 1 . . 2 1 6 6 DC N3 N . . . 4 1 6 6 DC N3 N . . . . . 2.76 2.66 2.86 . . . . . B . 6 DC N3 . . D . 6 DC N3 . B . 6 . N3 . . . D . 6 . N3 . . rr_1q2t 5 22 1 . . 2 1 6 6 DC H42 H . . . 4 1 6 6 DC O2 O . . . . . 1.74 1.64 1.84 . . . . . B . 6 DC H42 . . D . 6 DC O2 . B . 6 . H42 . . . D . 6 . O2 . . rr_1q2t 5 23 1 . . 4 1 6 6 DC H42 H . . . 2 1 6 6 DC O2 O . . . . . 1.74 1.64 1.84 . . . . . D . 6 DC H42 . . B . 6 DC O2 . D . 6 . H42 . . . B . 6 . O2 . . rr_1q2t 5 24 1 . . 2 1 7 7 DC N3 N . . . 4 1 7 7 DC N3 N . . . . . 2.76 2.66 2.86 . . . . . B . 7 DC N3 . . D . 7 DC N3 . B . 7 . N3 . . . D . 7 . N3 . . rr_1q2t 5 25 1 . . 2 1 7 7 DC H42 H . . . 4 1 7 7 DC O2 O . . . . . 1.74 1.64 1.84 . . . . . B . 7 DC H42 . . D . 7 DC O2 . B . 7 . H42 . . . D . 7 . O2 . . rr_1q2t 5 26 1 . . 2 1 7 7 DC O2 O . . . 4 1 7 7 DC H42 H . . . . . 1.74 1.64 1.84 . . . . . B . 7 DC O2 . . D . 7 DC H42 . B . 7 . O2 . . . D . 7 . H42 . . rr_1q2t 5 stop_ loop_ _Gen_dist_constraint_comment_org.ID _Gen_dist_constraint_comment_org.Comment_text _Gen_dist_constraint_comment_org.Comment_begin_line _Gen_dist_constraint_comment_org.Comment_begin_column _Gen_dist_constraint_comment_org.Comment_end_line _Gen_dist_constraint_comment_org.Comment_end_column _Gen_dist_constraint_comment_org.Entry_ID _Gen_dist_constraint_comment_org.Gen_dist_constraint_list_ID 1 'Base pairing restraints' 1 3 1 50 rr_1q2t 5 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 5 2 1 "Not handling restraint 2, item 1, resonance(s) 'A.1.H42' (nmrStar names) not linked" rr_1q2t 5 2 5 3 1 "Not handling restraint 3, item 1, resonance(s) 'C.1.H42' (nmrStar names) not linked" rr_1q2t 5 3 5 17 1 "Not handling restraint 17, item 1, resonance(s) 'B.1.H42' (nmrStar names) not linked" rr_1q2t 5 4 5 18 1 "Not handling restraint 18, item 1, resonance(s) 'D.1.H42' (nmrStar names) not linked" rr_1q2t 5 stop_ save_ save_MR_file_comment_1 _Org_constr_file_comment.Sf_framecode MR_file_comment_1 _Org_constr_file_comment.Sf_category org_constr_file_comment _Org_constr_file_comment.Entry_ID rr_1q2t _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 26-JUL-03 1Q2T *TITLE SOLUTION STRUCTURE OF D(5MCCTCTCC)4 *COMPND MOL_ID: 1; *COMPND 2 MOLECULE: 5'-D(*(5CM)P*(CH)P*TP*(CH)P*TP*(CH)P*(CH))-3'; *COMPND 3 CHAIN: A, B; *COMPND 4 ENGINEERED: YES; *COMPND 5 MOL_ID: 2; *COMPND 6 MOLECULE: 5'-D(*(5CM)P*CP*TP*CP*TP*CP*C)-3'; *COMPND 7 CHAIN: C, D; *COMPND 8 ENGINEERED: YES *SOURCE MOL_ID: 1; *SOURCE 2 SYNTHETIC: YES; *SOURCE 3 MOL_ID: 2; *SOURCE 4 SYNTHETIC: YES *KEYWDS DNA SOLUTION STRUCTURE; I-MOTIF; PROTONATED CYTIDINE; *KEYWDS 2 HEMIPROTONATED BASE-PAIRS *EXPDTA NMR *AUTHOR J.-L.LEROY *REVDAT 1 23-SEP-03 1Q2T 0" save_