data_Remediated_restraints_file_for_PDB_entry_1i4b # This BMRB archive file contains, for PDB entry 1i4b: # # - 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_1i4b _Entry.Title 'wwPDB remediated NMR restraints for PDB entry 1i4b' _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 1i4b' _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 1i4b 'Master copy' rr_1i4b stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID rr_1i4b _Assembly.ID 1 _Assembly.Name 1i4b _Assembly.Number_of_components 1 _Assembly.Organic_ligands 0 _Assembly.Metal_ions 0 _Assembly.Non_standard_bonds no _Assembly.Paramagnetic no _Assembly.Thiol_state 'not present' _Assembly.Molecular_mass 4197.51008 loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 '5 R GP GP UP GP CP UP UP AP GP CP AP CP C 3' 1 $5__R__GP_GP_UP_GP_CP_UP_UP_AP_GP_CP_AP_CP_C__3_ A . no . . . . . . rr_1i4b 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_5__R__GP_GP_UP_GP_CP_UP_UP_AP_GP_CP_AP_CP_C__3_ _Entity.Sf_category entity _Entity.Sf_framecode 5__R__GP_GP_UP_GP_CP_UP_UP_AP_GP_CP_AP_CP_C__3_ _Entity.Entry_ID rr_1i4b _Entity.ID 1 _Entity.Name 5__R__GP_GP_UP_GP_CP_UP_UP_AP_GP_CP_AP_CP_C__3_ _Entity.Type polymer _Entity.Polymer_type polyribonucleotide _Entity.Polymer_strand_ID A _Entity.Polymer_seq_one_letter_code GGUGCUUAGCACC _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer no _Entity.Nstd_chirality yes _Entity.Nstd_linkage no _Entity.Number_of_monomers 13 _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Parent_entity_ID 1 _Entity.Formula_weight 4197.51008 loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 . G . rr_1i4b 1 2 . G . rr_1i4b 1 3 . U . rr_1i4b 1 4 . G . rr_1i4b 1 5 . C . rr_1i4b 1 6 . U . rr_1i4b 1 7 . U . rr_1i4b 1 8 . A . rr_1i4b 1 9 . G . rr_1i4b 1 10 . C . rr_1i4b 1 11 . A . rr_1i4b 1 12 . C . rr_1i4b 1 13 . C . rr_1i4b 1 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . G 1 1 rr_1i4b 1 . G 2 2 rr_1i4b 1 . U 3 3 rr_1i4b 1 . G 4 4 rr_1i4b 1 . C 5 5 rr_1i4b 1 . U 6 6 rr_1i4b 1 . U 7 7 rr_1i4b 1 . A 8 8 rr_1i4b 1 . G 9 9 rr_1i4b 1 . C 10 10 rr_1i4b 1 . A 11 11 rr_1i4b 1 . C 12 12 rr_1i4b 1 . C 13 13 rr_1i4b 1 stop_ 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_1i4b _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_1i4b _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_1i4b 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_1i4b 1 stop_ loop_ _Atom_site.Assembly_ID _Atom_site.Model_ID _Atom_site.Model_site_ID _Atom_site.ID _Atom_site.Assembly_atom_ID _Atom_site.Label_entity_assembly_ID _Atom_site.Label_entity_ID _Atom_site.Label_comp_index_ID _Atom_site.Label_comp_ID _Atom_site.Label_atom_ID _Atom_site.Type_symbol _Atom_site.Cartn_x _Atom_site.Cartn_y _Atom_site.Cartn_z _Atom_site.Cartn_x_esd _Atom_site.Cartn_y_esd _Atom_site.Cartn_z_esd _Atom_site.Occupancy _Atom_site.Occupancy_esd _Atom_site.Uncertainty _Atom_site.Ordered_flag _Atom_site.Footnote_ID _Atom_site.PDBX_label_asym_ID _Atom_site.PDBX_label_seq_ID _Atom_site.PDBX_label_comp_ID _Atom_site.PDBX_label_atom_ID _Atom_site.PDBX_formal_charge _Atom_site.PDBX_label_entity_ID _Atom_site.PDB_record_ID _Atom_site.PDB_model_num _Atom_site.PDB_strand_ID _Atom_site.PDB_ins_code _Atom_site.PDB_residue_no _Atom_site.PDB_residue_name _Atom_site.PDB_atom_name _Atom_site.Auth_entity_assembly_ID _Atom_site.Auth_asym_ID _Atom_site.Auth_chain_ID _Atom_site.Auth_seq_ID _Atom_site.Auth_comp_ID _Atom_site.Auth_atom_ID _Atom_site.Auth_alt_ID _Atom_site.Auth_atom_name _Atom_site.Details _Atom_site.Entry_ID _Atom_site.Conformer_family_coord_set_ID . 1 . 1 . 1 1 1 G C1' C -4.708 -11.329 0.524 . . . 1.0 . . . . . . . . . . . . A . 1 G C1' . . . . . . . . . rr_1i4b 1 . 1 . 2 . 1 1 1 G C2 C -0.694 -10.066 -0.549 . . . 1.0 . . . . . . . . . . . . A . 1 G C2 . . . . . . . . . rr_1i4b 1 . 1 . 3 . 1 1 1 G C2' C -4.704 -10.298 1.658 . . . 1.0 . . . . . . . . . . . . A . 1 G C2' . . . . . . . . . rr_1i4b 1 . 1 . 4 . 1 1 1 G C3' C -6.181 -9.963 1.831 . . . 1.0 . . . . . . . . . . . . A . 1 G C3' . . . . . . . . . rr_1i4b 1 . 1 . 5 . 1 1 1 G C4 C -2.863 -10.402 -0.942 . . . 1.0 . . . . . . . . . . . . A . 1 G C4 . . . . . . . . . rr_1i4b 1 . 1 . 6 . 1 1 1 G C4' C -6.889 -11.225 1.380 . . . 1.0 . . . . . . . . . . . . A . 1 G C4' . . . . . . . . . rr_1i4b 1 . 1 . 7 . 1 1 1 G C5 C -2.813 -9.920 -2.227 . . . 1.0 . . . . . . . . . . . . A . 1 G C5 . . . . . . . . . rr_1i4b 1 . 1 . 8 . 1 1 1 G C5' C -8.314 -11.018 0.877 . . . 1.0 . . . . . . . . . . . . A . 1 G C5' . . . . . . . . . rr_1i4b 1 . 1 . 9 . 1 1 1 G C6 C -1.576 -9.455 -2.752 . . . 1.0 . . . . . . . . . . . . A . 1 G C6 . . . . . . . . . rr_1i4b 1 . 1 . 10 . 1 1 1 G C8 C -4.832 -10.487 -1.894 . . . 1.0 . . . . . . . . . . . . A . 1 G C8 . . . . . . . . . rr_1i4b 1 . 1 . 11 . 1 1 1 G H1 H 0.365 -9.259 -2.113 . . . 1.0 . . . . . . . . . . . . A . 1 G H1 . . . . . . . . . rr_1i4b 1 . 1 . 12 . 1 1 1 G H1' H -4.132 -12.214 0.800 . . . 1.0 . . . . . . . . . . . . A . 1 G H1' . . . . . . . . . rr_1i4b 1 . 1 . 13 . 1 1 1 G H2' H -4.138 -9.413 1.370 . . . 1.0 . . . . . . . . . . . . A . 1 G H2' . . . . . . . . . rr_1i4b 1 . 1 . 14 . 1 1 1 G H21 H 1.282 -9.781 -0.159 . . . 1.0 . . . . . . . . . . . . A . 1 G H21 . . . . . . . . . rr_1i4b 1 . 1 . 15 . 1 1 1 G H22 H 0.346 -10.453 1.156 . . . 1.0 . . . . . . . . . . . . A . 1 G H22 . . . . . . . . . rr_1i4b 1 . 1 . 16 . 1 1 1 G H3' H -6.490 -9.075 1.280 . . . 1.0 . . . . . . . . . . . . A . 1 G H3' . . . . . . . . . rr_1i4b 1 . 1 . 17 . 1 1 1 G H4' H -6.899 -11.968 2.178 . . . 1.0 . . . . . . . . . . . . A . 1 G H4' . . . . . . . . . rr_1i4b 1 . 1 . 18 . 1 1 1 G H5' H -8.695 -11.963 0.491 . . . 1.0 . . . . . . . . . . . . A . 1 G H5' . . . . . . . . . rr_1i4b 1 . 1 . 19 . 1 1 1 G H5'' H -8.941 -10.693 1.707 . . . 1.0 . . . . . . . . . . . . A . 1 G H5'' . . . . . . . . . rr_1i4b 1 . 1 . 20 . 1 1 1 G H8 H -5.897 -10.668 -2.031 . . . 1.0 . . . . . . . . . . . . A . 1 G H8 . . . . . . . . . rr_1i4b 1 . 1 . 21 . 1 1 1 G HO2' H -3.554 -10.251 3.225 . . . 1.0 . . . . . . . . . . . . A . 1 G HO2' . . . . . . . . . rr_1i4b 1 . 1 . 22 . 1 1 1 G HO5' H -7.493 -9.987 -0.554 . . . 1.0 . . . . . . . . . . . . A . 1 G HO5' . . . . . . . . . rr_1i4b 1 . 1 . 23 . 1 1 1 G N1 N -0.552 -9.568 -1.824 . . . 1.0 . . . . . . . . . . . . A . 1 G N1 . . . . . . . . . rr_1i4b 1 . 1 . 24 . 1 1 1 G N2 N 0.400 -10.103 0.211 . . . 1.0 . . . . . . . . . . . . A . 1 G N2 . . . . . . . . . rr_1i4b 1 . 1 . 25 . 1 1 1 G N3 N -1.850 -10.506 -0.047 . . . 1.0 . . . . . . . . . . . . A . 1 G N3 . . . . . . . . . rr_1i4b 1 . 1 . 26 . 1 1 1 G N7 N -4.069 -9.980 -2.821 . . . 1.0 . . . . . . . . . . . . A . 1 G N7 . . . . . . . . . rr_1i4b 1 . 1 . 27 . 1 1 1 G N9 N -4.170 -10.768 -0.728 . . . 1.0 . . . . . . . . . . . . A . 1 G N9 . . . . . . . . . rr_1i4b 1 . 1 . 28 . 1 1 1 G O2' O -4.181 -10.877 2.856 . . . 1.0 . . . . . . . . . . . . A . 1 G O2' . . . . . . . . . rr_1i4b 1 . 1 . 29 . 1 1 1 G O3' O -6.413 -9.823 3.235 . . . 1.0 . . . . . . . . . . . . A . 1 G O3' . . . . . . . . . rr_1i4b 1 . 1 . 30 . 1 1 1 G O4' O -6.077 -11.700 0.311 . . . 1.0 . . . . . . . . . . . . A . 1 G O4' . . . . . . . . . rr_1i4b 1 . 1 . 31 . 1 1 1 G O5' O -8.367 -10.035 -0.161 . . . 1.0 . . . . . . . . . . . . A . 1 G O5' . . . . . . . . . rr_1i4b 1 . 1 . 32 . 1 1 1 G O6 O -1.347 -8.994 -3.868 . . . 1.0 . . . . . . . . . . . . A . 1 G O6 . . . . . . . . . rr_1i4b 1 . 1 . 33 . 1 1 2 G C1' C -0.559 -8.616 3.844 . . . 1.0 . . . . . . . . . . . . A . 2 G C1' . . . . . . . . . rr_1i4b 1 . 1 . 34 . 1 1 2 G C2 C 2.011 -7.150 0.660 . . . 1.0 . . . . . . . . . . . . A . 2 G C2 . . . . . . . . . rr_1i4b 1 . 1 . 35 . 1 1 2 G C2' C -0.458 -7.644 5.017 . . . 1.0 . . . . . . . . . . . . A . 2 G C2' . . . . . . . . . rr_1i4b 1 . 1 . 36 . 1 1 2 G C3' C -1.873 -7.672 5.566 . . . 1.0 . . . . . . . . . . . . A . 2 G C3' . . . . . . . . . rr_1i4b 1 . 1 . 37 . 1 1 2 G C4 C 0.042 -7.511 1.643 . . . 1.0 . . . . . . . . . . . . A . 2 G C4 . . . . . . . . . rr_1i4b 1 . 1 . 38 . 1 1 2 G C4' C -2.274 -9.126 5.388 . . . 1.0 . . . . . . . . . . . . A . 2 G C4' . . . . . . . . . rr_1i4b 1 . 1 . 39 . 1 1 2 G C5 C -0.686 -6.920 0.638 . . . 1.0 . . . . . . . . . . . . A . 2 G C5 . . . . . . . . . rr_1i4b 1 . 1 . 40 . 1 1 2 G C5' C -3.777 -9.372 5.273 . . . 1.0 . . . . . . . . . . . . A . 2 G C5' . . . . . . . . . rr_1i4b 1 . 1 . 41 . 1 1 2 G C6 C -0.011 -6.378 -0.490 . . . 1.0 . . . . . . . . . . . . A . 2 G C6 . . . . . . . . . rr_1i4b 1 . 1 . 42 . 1 1 2 G C8 C -2.103 -7.568 2.083 . . . 1.0 . . . . . . . . . . . . A . 2 G C8 . . . . . . . . . rr_1i4b 1 . 1 . 43 . 1 1 2 G H1 H 1.923 -6.187 -1.153 . . . 1.0 . . . . . . . . . . . . A . 2 G H1 . . . . . . . . . rr_1i4b 1 . 1 . 44 . 1 1 2 G H1' H 0.364 -9.182 3.727 . . . 1.0 . . . . . . . . . . . . A . 2 G H1' . . . . . . . . . rr_1i4b 1 . 1 . 45 . 1 1 2 G H2' H -0.189 -6.646 4.677 . . . 1.0 . . . . . . . . . . . . A . 2 G H2' . . . . . . . . . rr_1i4b 1 . 1 . 46 . 1 1 2 G H21 H 3.834 -6.765 -0.163 . . . 1.0 . . . . . . . . . . . . A . 2 G H21 . . . . . . . . . rr_1i4b 1 . 1 . 47 . 1 1 2 G H22 H 3.856 -7.727 1.297 . . . 1.0 . . . . . . . . . . . . A . 2 G H22 . . . . . . . . . rr_1i4b 1 . 1 . 48 . 1 1 2 G H3' H -2.545 -6.973 5.069 . . . 1.0 . . . . . . . . . . . . A . 2 G H3' . . . . . . . . . rr_1i4b 1 . 1 . 49 . 1 1 2 G H4' H -1.880 -9.734 6.203 . . . 1.0 . . . . . . . . . . . . A . 2 G H4' . . . . . . . . . rr_1i4b 1 . 1 . 50 . 1 1 2 G H5' H -3.955 -10.444 5.189 . . . 1.0 . . . . . . . . . . . . A . 2 G H5' . . . . . . . . . rr_1i4b 1 . 1 . 51 . 1 1 2 G H5'' H -4.267 -9.000 6.173 . . . 1.0 . . . . . . . . . . . . A . 2 G H5'' . . . . . . . . . rr_1i4b 1 . 1 . 52 . 1 1 2 G H8 H -3.037 -7.762 2.608 . . . 1.0 . . . . . . . . . . . . A . 2 G H8 . . . . . . . . . rr_1i4b 1 . 1 . 53 . 1 1 2 G HO2' H 1.160 -7.467 6.083 . . . 1.0 . . . . . . . . . . . . A . 2 G HO2' . . . . . . . . . rr_1i4b 1 . 1 . 54 . 1 1 2 G N1 N 1.362 -6.542 -0.391 . . . 1.0 . . . . . . . . . . . . A . 2 G N1 . . . . . . . . . rr_1i4b 1 . 1 . 55 . 1 1 2 G N2 N 3.341 -7.221 0.591 . . . 1.0 . . . . . . . . . . . . A . 2 G N2 . . . . . . . . . rr_1i4b 1 . 1 . 56 . 1 1 2 G N3 N 1.387 -7.662 1.723 . . . 1.0 . . . . . . . . . . . . A . 2 G N3 . . . . . . . . . rr_1i4b 1 . 1 . 57 . 1 1 2 G N7 N -2.046 -6.963 0.929 . . . 1.0 . . . . . . . . . . . . A . 2 G N7 . . . . . . . . . rr_1i4b 1 . 1 . 58 . 1 1 2 G N9 N -0.876 -7.929 2.577 . . . 1.0 . . . . . . . . . . . . A . 2 G N9 . . . . . . . . . rr_1i4b 1 . 1 . 59 . 1 1 2 G O2' O 0.469 -8.128 5.992 . . . 1.0 . . . . . . . . . . . . A . 2 G O2' . . . . . . . . . rr_1i4b 1 . 1 . 60 . 1 1 2 G O3' O -1.782 -7.419 6.970 . . . 1.0 . . . . . . . . . . . . A . 2 G O3' . . . . . . . . . rr_1i4b 1 . 1 . 61 . 1 1 2 G O4' O -1.635 -9.515 4.166 . . . 1.0 . . . . . . . . . . . . A . 2 G O4' . . . . . . . . . rr_1i4b 1 . 1 . 62 . 1 1 2 G O5' O -4.337 -8.717 4.132 . . . 1.0 . . . . . . . . . . . . A . 2 G O5' . . . . . . . . . rr_1i4b 1 . 1 . 63 . 1 1 2 G O6 O -0.495 -5.822 -1.473 . . . 1.0 . . . . . . . . . . . . A . 2 G O6 . . . . . . . . . rr_1i4b 1 . 1 . 64 . 1 1 2 G OP1 O -6.502 -8.529 5.379 . . . 1.0 . . . . . . . . . . . . A . 2 G OP1 . . . . . . . . . rr_1i4b 1 . 1 . 65 . 1 1 2 G OP2 O -6.173 -7.331 3.138 . . . 1.0 . . . . . . . . . . . . A . 2 G OP2 . . . . . . . . . rr_1i4b 1 . 1 . 66 . 1 1 2 G P P -5.929 -8.499 4.014 . . . 1.0 . . . . . . . . . . . . A . 2 G P . . . . . . . . . rr_1i4b 1 . 1 . 67 . 1 1 3 U C1' C 2.571 -4.888 4.538 . . . 1.0 . . . . . . . . . . . . A . 3 U C1' . . . . . . . . . rr_1i4b 1 . 1 . 68 . 1 1 3 U C2 C 2.038 -4.288 2.213 . . . 1.0 . . . . . . . . . . . . A . 3 U C2 . . . . . . . . . rr_1i4b 1 . 1 . 69 . 1 1 3 U C2' C 3.225 -3.706 5.258 . . . 1.0 . . . . . . . . . . . . A . 3 U C2' . . . . . . . . . rr_1i4b 1 . 1 . 70 . 1 1 3 U C3' C 2.330 -3.562 6.477 . . . 1.0 . . . . . . . . . . . . A . 3 U C3' . . . . . . . . . rr_1i4b 1 . 1 . 71 . 1 1 3 U C4 C -0.231 -3.577 1.568 . . . 1.0 . . . . . . . . . . . . A . 3 U C4 . . . . . . . . . rr_1i4b 1 . 1 . 72 . 1 1 3 U C4' C 2.043 -5.007 6.834 . . . 1.0 . . . . . . . . . . . . A . 3 U C4' . . . . . . . . . rr_1i4b 1 . 1 . 73 . 1 1 3 U C5 C -0.618 -3.762 2.948 . . . 1.0 . . . . . . . . . . . . A . 3 U C5 . . . . . . . . . rr_1i4b 1 . 1 . 74 . 1 1 3 U C5' C 0.795 -5.232 7.691 . . . 1.0 . . . . . . . . . . . . A . 3 U C5' . . . . . . . . . rr_1i4b 1 . 1 . 75 . 1 1 3 U C6 C 0.292 -4.183 3.861 . . . 1.0 . . . . . . . . . . . . A . 3 U C6 . . . . . . . . . rr_1i4b 1 . 1 . 76 . 1 1 3 U H1' H 3.325 -5.533 4.081 . . . 1.0 . . . . . . . . . . . . A . 3 U H1' . . . . . . . . . rr_1i4b 1 . 1 . 77 . 1 1 3 U H2' H 3.199 -2.808 4.642 . . . 1.0 . . . . . . . . . . . . A . 3 U H2' . . . . . . . . . rr_1i4b 1 . 1 . 78 . 1 1 3 U H3 H 1.404 -3.742 0.344 . . . 1.0 . . . . . . . . . . . . A . 3 U H3 . . . . . . . . . rr_1i4b 1 . 1 . 79 . 1 1 3 U H3' H 1.432 -2.974 6.290 . . . 1.0 . . . . . . . . . . . . A . 3 U H3' . . . . . . . . . rr_1i4b 1 . 1 . 80 . 1 1 3 U H4' H 2.905 -5.454 7.332 . . . 1.0 . . . . . . . . . . . . A . 3 U H4' . . . . . . . . . rr_1i4b 1 . 1 . 81 . 1 1 3 U H5 H -1.644 -3.561 3.256 . . . 1.0 . . . . . . . . . . . . A . 3 U H5 . . . . . . . . . rr_1i4b 1 . 1 . 82 . 1 1 3 U H5' H 0.910 -6.157 8.258 . . . 1.0 . . . . . . . . . . . . A . 3 U H5' . . . . . . . . . rr_1i4b 1 . 1 . 83 . 1 1 3 U H5'' H 0.690 -4.400 8.387 . . . 1.0 . . . . . . . . . . . . A . 3 U H5'' . . . . . . . . . rr_1i4b 1 . 1 . 84 . 1 1 3 U H6 H -0.019 -4.319 4.897 . . . 1.0 . . . . . . . . . . . . A . 3 U H6 . . . . . . . . . rr_1i4b 1 . 1 . 85 . 1 1 3 U HO2' H 4.823 -3.401 6.324 . . . 1.0 . . . . . . . . . . . . A . 3 U HO2' . . . . . . . . . rr_1i4b 1 . 1 . 86 . 1 1 3 U N1 N 1.593 -4.443 3.518 . . . 1.0 . . . . . . . . . . . . A . 3 U N1 . . . . . . . . . rr_1i4b 1 . 1 . 87 . 1 1 3 U N3 N 1.095 -3.860 1.299 . . . 1.0 . . . . . . . . . . . . A . 3 U N3 . . . . . . . . . rr_1i4b 1 . 1 . 88 . 1 1 3 U O2 O 3.199 -4.516 1.881 . . . 1.0 . . . . . . . . . . . . A . 3 U O2 . . . . . . . . . rr_1i4b 1 . 1 . 89 . 1 1 3 U O2' O 4.561 -4.032 5.649 . . . 1.0 . . . . . . . . . . . . A . 3 U O2' . . . . . . . . . rr_1i4b 1 . 1 . 90 . 1 1 3 U O3' O 3.125 -3.008 7.528 . . . 1.0 . . . . . . . . . . . . A . 3 U O3' . . . . . . . . . rr_1i4b 1 . 1 . 91 . 1 1 3 U O4 O -0.975 -3.202 0.665 . . . 1.0 . . . . . . . . . . . . A . 3 U O4 . . . . . . . . . rr_1i4b 1 . 1 . 92 . 1 1 3 U O4' O 1.870 -5.629 5.557 . . . 1.0 . . . . . . . . . . . . A . 3 U O4' . . . . . . . . . rr_1i4b 1 . 1 . 93 . 1 1 3 U O5' O -0.389 -5.322 6.893 . . . 1.0 . . . . . . . . . . . . A . 3 U O5' . . . . . . . . . rr_1i4b 1 . 1 . 94 . 1 1 3 U OP1 O -1.600 -5.955 8.994 . . . 1.0 . . . . . . . . . . . . A . 3 U OP1 . . . . . . . . . rr_1i4b 1 . 1 . 95 . 1 1 3 U OP2 O -2.891 -5.173 6.925 . . . 1.0 . . . . . . . . . . . . A . 3 U OP2 . . . . . . . . . rr_1i4b 1 . 1 . 96 . 1 1 3 U P P -1.753 -5.906 7.523 . . . 1.0 . . . . . . . . . . . . A . 3 U P . . . . . . . . . rr_1i4b 1 . 1 . 97 . 1 1 4 G C1' C 4.501 0.411 3.142 . . . 1.0 . . . . . . . . . . . . A . 4 G C1' . . . . . . . . . rr_1i4b 1 . 1 . 98 . 1 1 4 G C2 C 2.709 0.935 -0.776 . . . 1.0 . . . . . . . . . . . . A . 4 G C2 . . . . . . . . . rr_1i4b 1 . 1 . 99 . 1 1 4 G C2' C 4.619 1.863 3.616 . . . 1.0 . . . . . . . . . . . . A . 4 G C2' . . . . . . . . . rr_1i4b 1 . 1 . 100 . 1 1 4 G C3' C 4.537 1.721 5.129 . . . 1.0 . . . . . . . . . . . . A . 4 G C3' . . . . . . . . . rr_1i4b 1 . 1 . 101 . 1 1 4 G C4 C 2.701 0.313 1.366 . . . 1.0 . . . . . . . . . . . . A . 4 G C4 . . . . . . . . . rr_1i4b 1 . 1 . 102 . 1 1 4 G C4' C 5.222 0.393 5.379 . . . 1.0 . . . . . . . . . . . . A . 4 G C4' . . . . . . . . . rr_1i4b 1 . 1 . 103 . 1 1 4 G C5 C 1.397 -0.119 1.345 . . . 1.0 . . . . . . . . . . . . A . 4 G C5 . . . . . . . . . rr_1i4b 1 . 1 . 104 . 1 1 4 G C5' C 4.860 -0.288 6.695 . . . 1.0 . . . . . . . . . . . . A . 4 G C5' . . . . . . . . . rr_1i4b 1 . 1 . 105 . 1 1 4 G C6 C 0.648 -0.023 0.139 . . . 1.0 . . . . . . . . . . . . A . 4 G C6 . . . . . . . . . rr_1i4b 1 . 1 . 106 . 1 1 4 G C8 C 2.091 -0.455 3.324 . . . 1.0 . . . . . . . . . . . . A . 4 G C8 . . . . . . . . . rr_1i4b 1 . 1 . 107 . 1 1 4 G H1 H 0.943 0.635 -1.781 . . . 1.0 . . . . . . . . . . . . A . 4 G H1 . . . . . . . . . rr_1i4b 1 . 1 . 108 . 1 1 4 G H1' H 5.228 0.200 2.357 . . . 1.0 . . . . . . . . . . . . A . 4 G H1' . . . . . . . . . rr_1i4b 1 . 1 . 109 . 1 1 4 G H2' H 3.795 2.466 3.235 . . . 1.0 . . . . . . . . . . . . A . 4 G H2' . . . . . . . . . rr_1i4b 1 . 1 . 110 . 1 1 4 G H21 H 2.732 1.589 -2.704 . . . 1.0 . . . . . . . . . . . . A . 4 G H21 . . . . . . . . . rr_1i4b 1 . 1 . 111 . 1 1 4 G H22 H 4.259 1.690 -1.858 . . . 1.0 . . . . . . . . . . . . A . 4 G H22 . . . . . . . . . rr_1i4b 1 . 1 . 112 . 1 1 4 G H3' H 3.518 1.762 5.514 . . . 1.0 . . . . . . . . . . . . A . 4 G H3' . . . . . . . . . rr_1i4b 1 . 1 . 113 . 1 1 4 G H4' H 6.305 0.507 5.328 . . . 1.0 . . . . . . . . . . . . A . 4 G H4' . . . . . . . . . rr_1i4b 1 . 1 . 114 . 1 1 4 G H5' H 5.462 -1.190 6.805 . . . 1.0 . . . . . . . . . . . . A . 4 G H5' . . . . . . . . . rr_1i4b 1 . 1 . 115 . 1 1 4 G H5'' H 5.084 0.391 7.518 . . . 1.0 . . . . . . . . . . . . A . 4 G H5'' . . . . . . . . . rr_1i4b 1 . 1 . 116 . 1 1 4 G H8 H 2.139 -0.738 4.375 . . . 1.0 . . . . . . . . . . . . A . 4 G H8 . . . . . . . . . rr_1i4b 1 . 1 . 117 . 1 1 4 G HO2' H 6.432 2.445 4.015 . . . 1.0 . . . . . . . . . . . . A . 4 G HO2' . . . . . . . . . rr_1i4b 1 . 1 . 118 . 1 1 4 G N1 N 1.399 0.526 -0.887 . . . 1.0 . . . . . . . . . . . . A . 4 G N1 . . . . . . . . . rr_1i4b 1 . 1 . 119 . 1 1 4 G N2 N 3.280 1.445 -1.868 . . . 1.0 . . . . . . . . . . . . A . 4 G N2 . . . . . . . . . rr_1i4b 1 . 1 . 120 . 1 1 4 G N3 N 3.422 0.849 0.350 . . . 1.0 . . . . . . . . . . . . A . 4 G N3 . . . . . . . . . rr_1i4b 1 . 1 . 121 . 1 1 4 G N7 N 1.022 -0.605 2.593 . . . 1.0 . . . . . . . . . . . . A . 4 G N7 . . . . . . . . . rr_1i4b 1 . 1 . 122 . 1 1 4 G N9 N 3.149 0.095 2.646 . . . 1.0 . . . . . . . . . . . . A . 4 G N9 . . . . . . . . . rr_1i4b 1 . 1 . 123 . 1 1 4 G O2' O 5.882 2.413 3.229 . . . 1.0 . . . . . . . . . . . . A . 4 G O2' . . . . . . . . . rr_1i4b 1 . 1 . 124 . 1 1 4 G O3' O 5.365 2.739 5.695 . . . 1.0 . . . . . . . . . . . . A . 4 G O3' . . . . . . . . . rr_1i4b 1 . 1 . 125 . 1 1 4 G O4' O 4.789 -0.413 4.285 . . . 1.0 . . . . . . . . . . . . A . 4 G O4' . . . . . . . . . rr_1i4b 1 . 1 . 126 . 1 1 4 G O5' O 3.476 -0.643 6.748 . . . 1.0 . . . . . . . . . . . . A . 4 G O5' . . . . . . . . . rr_1i4b 1 . 1 . 127 . 1 1 4 G O6 O -0.518 -0.354 -0.062 . . . 1.0 . . . . . . . . . . . . A . 4 G O6 . . . . . . . . . rr_1i4b 1 . 1 . 128 . 1 1 4 G OP1 O 3.771 -1.226 9.167 . . . 1.0 . . . . . . . . . . . . A . 4 G OP1 . . . . . . . . . rr_1i4b 1 . 1 . 129 . 1 1 4 G OP2 O 1.446 -1.236 8.092 . . . 1.0 . . . . . . . . . . . . A . 4 G OP2 . . . . . . . . . rr_1i4b 1 . 1 . 130 . 1 1 4 G P P 2.902 -1.483 7.997 . . . 1.0 . . . . . . . . . . . . A . 4 G P . . . . . . . . . rr_1i4b 1 . 1 . 131 . 1 1 5 C C1' C 2.263 4.316 1.930 . . . 1.0 . . . . . . . . . . . . A . 5 C C1' . . . . . . . . . rr_1i4b 1 . 1 . 132 . 1 1 5 C C2 C 0.364 2.959 1.174 . . . 1.0 . . . . . . . . . . . . A . 5 C C2 . . . . . . . . . rr_1i4b 1 . 1 . 133 . 1 1 5 C C2' C 1.785 5.743 2.190 . . . 1.0 . . . . . . . . . . . . A . 5 C C2' . . . . . . . . . rr_1i4b 1 . 1 . 134 . 1 1 5 C C3' C 3.015 6.429 2.817 . . . 1.0 . . . . . . . . . . . . A . 5 C C3' . . . . . . . . . rr_1i4b 1 . 1 . 135 . 1 1 5 C C4 C -0.777 1.517 2.629 . . . 1.0 . . . . . . . . . . . . A . 5 C C4 . . . . . . . . . rr_1i4b 1 . 1 . 136 . 1 1 5 C C4' C 4.082 5.332 2.928 . . . 1.0 . . . . . . . . . . . . A . 5 C C4' . . . . . . . . . rr_1i4b 1 . 1 . 137 . 1 1 5 C C5 C 0.093 1.874 3.708 . . . 1.0 . . . . . . . . . . . . A . 5 C C5 . . . . . . . . . rr_1i4b 1 . 1 . 138 . 1 1 5 C C5' C 4.865 5.327 4.238 . . . 1.0 . . . . . . . . . . . . A . 5 C C5' . . . . . . . . . rr_1i4b 1 . 1 . 139 . 1 1 5 C C6 C 1.069 2.771 3.458 . . . 1.0 . . . . . . . . . . . . A . 5 C C6 . . . . . . . . . rr_1i4b 1 . 1 . 140 . 1 1 5 C H1' H 2.620 4.205 0.904 . . . 1.0 . . . . . . . . . . . . A . 5 C H1' . . . . . . . . . rr_1i4b 1 . 1 . 141 . 1 1 5 C H2' H 0.948 5.743 2.888 . . . 1.0 . . . . . . . . . . . . A . 5 C H2' . . . . . . . . . rr_1i4b 1 . 1 . 142 . 1 1 5 C H3' H 2.784 6.880 3.784 . . . 1.0 . . . . . . . . . . . . A . 5 C H3' . . . . . . . . . rr_1i4b 1 . 1 . 143 . 1 1 5 C H4' H 4.787 5.386 2.100 . . . 1.0 . . . . . . . . . . . . A . 5 C H4' . . . . . . . . . rr_1i4b 1 . 1 . 144 . 1 1 5 C H41 H -2.342 0.373 2.007 . . . 1.0 . . . . . . . . . . . . A . 5 C H41 . . . . . . . . . rr_1i4b 1 . 1 . 145 . 1 1 5 C H42 H -1.935 0.234 3.705 . . . 1.0 . . . . . . . . . . . . A . 5 C H42 . . . . . . . . . rr_1i4b 1 . 1 . 146 . 1 1 5 C H5 H -0.021 1.441 4.702 . . . 1.0 . . . . . . . . . . . . A . 5 C H5 . . . . . . . . . rr_1i4b 1 . 1 . 147 . 1 1 5 C H5' H 5.736 4.679 4.130 . . . 1.0 . . . . . . . . . . . . A . 5 C H5' . . . . . . . . . rr_1i4b 1 . 1 . 148 . 1 1 5 C H5'' H 5.201 6.341 4.456 . . . 1.0 . . . . . . . . . . . . A . 5 C H5'' . . . . . . . . . rr_1i4b 1 . 1 . 149 . 1 1 5 C H6 H 1.749 3.065 4.257 . . . 1.0 . . . . . . . . . . . . A . 5 C H6 . . . . . . . . . rr_1i4b 1 . 1 . 150 . 1 1 5 C HO2' H 0.683 6.962 1.152 . . . 1.0 . . . . . . . . . . . . A . 5 C HO2' . . . . . . . . . rr_1i4b 1 . 1 . 151 . 1 1 5 C N1 N 1.212 3.314 2.214 . . . 1.0 . . . . . . . . . . . . A . 5 C N1 . . . . . . . . . rr_1i4b 1 . 1 . 152 . 1 1 5 C N3 N -0.624 2.057 1.414 . . . 1.0 . . . . . . . . . . . . A . 5 C N3 . . . . . . . . . rr_1i4b 1 . 1 . 153 . 1 1 5 C N4 N -1.764 0.637 2.794 . . . 1.0 . . . . . . . . . . . . A . 5 C N4 . . . . . . . . . rr_1i4b 1 . 1 . 154 . 1 1 5 C O2 O 0.517 3.453 0.060 . . . 1.0 . . . . . . . . . . . . A . 5 C O2 . . . . . . . . . rr_1i4b 1 . 1 . 155 . 1 1 5 C O2' O 1.419 6.374 0.963 . . . 1.0 . . . . . . . . . . . . A . 5 C O2' . . . . . . . . . rr_1i4b 1 . 1 . 156 . 1 1 5 C O3' O 3.491 7.432 1.893 . . . 1.0 . . . . . . . . . . . . A . 5 C O3' . . . . . . . . . rr_1i4b 1 . 1 . 157 . 1 1 5 C O4' O 3.346 4.120 2.828 . . . 1.0 . . . . . . . . . . . . A . 5 C O4' . . . . . . . . . rr_1i4b 1 . 1 . 158 . 1 1 5 C O5' O 4.062 4.858 5.327 . . . 1.0 . . . . . . . . . . . . A . 5 C O5' . . . . . . . . . rr_1i4b 1 . 1 . 159 . 1 1 5 C OP1 O 5.800 4.746 7.129 . . . 1.0 . . . . . . . . . . . . A . 5 C OP1 . . . . . . . . . rr_1i4b 1 . 1 . 160 . 1 1 5 C OP2 O 3.609 3.435 7.340 . . . 1.0 . . . . . . . . . . . . A . 5 C OP2 . . . . . . . . . rr_1i4b 1 . 1 . 161 . 1 1 5 C P P 4.708 3.967 6.504 . . . 1.0 . . . . . . . . . . . . A . 5 C P . . . . . . . . . rr_1i4b 1 . 1 . 162 . 1 1 6 U C1' C -0.214 9.505 0.538 . . . 1.0 . . . . . . . . . . . . A . 6 U C1' . . . . . . . . . rr_1i4b 1 . 1 . 163 . 1 1 6 U C2 C -0.546 10.416 2.808 . . . 1.0 . . . . . . . . . . . . A . 6 U C2 . . . . . . . . . rr_1i4b 1 . 1 . 164 . 1 1 6 U C2' C 0.476 10.388 -0.488 . . . 1.0 . . . . . . . . . . . . A . 6 U C2' . . . . . . . . . rr_1i4b 1 . 1 . 165 . 1 1 6 U C3' C 0.379 9.536 -1.742 . . . 1.0 . . . . . . . . . . . . A . 6 U C3' . . . . . . . . . rr_1i4b 1 . 1 . 166 . 1 1 6 U C4 C 1.215 10.241 4.521 . . . 1.0 . . . . . . . . . . . . A . 6 U C4 . . . . . . . . . rr_1i4b 1 . 1 . 167 . 1 1 6 U C4' C 0.475 8.101 -1.230 . . . 1.0 . . . . . . . . . . . . A . 6 U C4' . . . . . . . . . rr_1i4b 1 . 1 . 168 . 1 1 6 U C5 C 2.023 9.557 3.537 . . . 1.0 . . . . . . . . . . . . A . 6 U C5 . . . . . . . . . rr_1i4b 1 . 1 . 169 . 1 1 6 U C5' C 1.857 7.470 -1.370 . . . 1.0 . . . . . . . . . . . . A . 6 U C5' . . . . . . . . . rr_1i4b 1 . 1 . 170 . 1 1 6 U C6 C 1.538 9.338 2.289 . . . 1.0 . . . . . . . . . . . . A . 6 U C6 . . . . . . . . . rr_1i4b 1 . 1 . 171 . 1 1 6 U H1' H -1.300 9.627 0.495 . . . 1.0 . . . . . . . . . . . . A . 6 U H1' . . . . . . . . . rr_1i4b 1 . 1 . 172 . 1 1 6 U H2' H 1.515 10.565 -0.218 . . . 1.0 . . . . . . . . . . . . A . 6 U H2' . . . . . . . . . rr_1i4b 1 . 1 . 173 . 1 1 6 U H3 H -0.628 11.109 4.732 . . . 1.0 . . . . . . . . . . . . A . 6 U H3 . . . . . . . . . rr_1i4b 1 . 1 . 174 . 1 1 6 U H3' H 1.138 9.776 -2.483 . . . 1.0 . . . . . . . . . . . . A . 6 U H3' . . . . . . . . . rr_1i4b 1 . 1 . 175 . 1 1 6 U H4' H -0.251 7.469 -1.742 . . . 1.0 . . . . . . . . . . . . A . 6 U H4' . . . . . . . . . rr_1i4b 1 . 1 . 176 . 1 1 6 U H5 H 3.025 9.216 3.799 . . . 1.0 . . . . . . . . . . . . A . 6 U H5 . . . . . . . . . rr_1i4b 1 . 1 . 177 . 1 1 6 U H5' H 1.778 6.399 -1.179 . . . 1.0 . . . . . . . . . . . . A . 6 U H5' . . . . . . . . . rr_1i4b 1 . 1 . 178 . 1 1 6 U H5'' H 2.215 7.623 -2.389 . . . 1.0 . . . . . . . . . . . . A . 6 U H5'' . . . . . . . . . rr_1i4b 1 . 1 . 179 . 1 1 6 U H6 H 2.163 8.821 1.561 . . . 1.0 . . . . . . . . . . . . A . 6 U H6 . . . . . . . . . rr_1i4b 1 . 1 . 180 . 1 1 6 U HO2' H -0.997 11.431 -1.211 . . . 1.0 . . . . . . . . . . . . A . 6 U HO2' . . . . . . . . . rr_1i4b 1 . 1 . 181 . 1 1 6 U N1 N 0.285 9.752 1.916 . . . 1.0 . . . . . . . . . . . . A . 6 U N1 . . . . . . . . . rr_1i4b 1 . 1 . 182 . 1 1 6 U N3 N -0.034 10.627 4.073 . . . 1.0 . . . . . . . . . . . . A . 6 U N3 . . . . . . . . . rr_1i4b 1 . 1 . 183 . 1 1 6 U O2 O -1.673 10.798 2.499 . . . 1.0 . . . . . . . . . . . . A . 6 U O2 . . . . . . . . . rr_1i4b 1 . 1 . 184 . 1 1 6 U O2' O -0.236 11.616 -0.656 . . . 1.0 . . . . . . . . . . . . A . 6 U O2' . . . . . . . . . rr_1i4b 1 . 1 . 185 . 1 1 6 U O3' O -0.938 9.705 -2.265 . . . 1.0 . . . . . . . . . . . . A . 6 U O3' . . . . . . . . . rr_1i4b 1 . 1 . 186 . 1 1 6 U O4 O 1.557 10.486 5.676 . . . 1.0 . . . . . . . . . . . . A . 6 U O4 . . . . . . . . . rr_1i4b 1 . 1 . 187 . 1 1 6 U O4' O 0.127 8.168 0.160 . . . 1.0 . . . . . . . . . . . . A . 6 U O4' . . . . . . . . . rr_1i4b 1 . 1 . 188 . 1 1 6 U O5' O 2.798 8.046 -0.454 . . . 1.0 . . . . . . . . . . . . A . 6 U O5' . . . . . . . . . rr_1i4b 1 . 1 . 189 . 1 1 6 U OP1 O 3.529 5.707 0.055 . . . 1.0 . . . . . . . . . . . . A . 6 U OP1 . . . . . . . . . rr_1i4b 1 . 1 . 190 . 1 1 6 U OP2 O 5.212 7.632 0.075 . . . 1.0 . . . . . . . . . . . . A . 6 U OP2 . . . . . . . . . rr_1i4b 1 . 1 . 191 . 1 1 6 U P P 3.850 7.120 0.345 . . . 1.0 . . . . . . . . . . . . A . 6 U P . . . . . . . . . rr_1i4b 1 . 1 . 192 . 1 1 7 U C1' C -4.546 7.459 -5.606 . . . 1.0 . . . . . . . . . . . . A . 7 U C1' . . . . . . . . . rr_1i4b 1 . 1 . 193 . 1 1 7 U C2 C -3.531 7.120 -7.832 . . . 1.0 . . . . . . . . . . . . A . 7 U C2 . . . . . . . . . rr_1i4b 1 . 1 . 194 . 1 1 7 U C2' C -5.050 6.294 -4.764 . . . 1.0 . . . . . . . . . . . . A . 7 U C2' . . . . . . . . . rr_1i4b 1 . 1 . 195 . 1 1 7 U C3' C -5.513 6.999 -3.503 . . . 1.0 . . . . . . . . . . . . A . 7 U C3' . . . . . . . . . rr_1i4b 1 . 1 . 196 . 1 1 7 U C4 C -1.227 6.280 -8.062 . . . 1.0 . . . . . . . . . . . . A . 7 U C4 . . . . . . . . . rr_1i4b 1 . 1 . 197 . 1 1 7 U C4' C -4.514 8.138 -3.335 . . . 1.0 . . . . . . . . . . . . A . 7 U C4' . . . . . . . . . rr_1i4b 1 . 1 . 198 . 1 1 7 U C5 C -1.156 6.249 -6.619 . . . 1.0 . . . . . . . . . . . . A . 7 U C5 . . . . . . . . . rr_1i4b 1 . 1 . 199 . 1 1 7 U C5' C -3.261 7.803 -2.508 . . . 1.0 . . . . . . . . . . . . A . 7 U C5' . . . . . . . . . rr_1i4b 1 . 1 . 200 . 1 1 7 U C6 C -2.220 6.639 -5.874 . . . 1.0 . . . . . . . . . . . . A . 7 U C6 . . . . . . . . . rr_1i4b 1 . 1 . 201 . 1 1 7 U H1' H -5.350 7.875 -6.219 . . . 1.0 . . . . . . . . . . . . A . 7 U H1' . . . . . . . . . rr_1i4b 1 . 1 . 202 . 1 1 7 U H2' H -4.248 5.589 -4.547 . . . 1.0 . . . . . . . . . . . . A . 7 U H2' . . . . . . . . . rr_1i4b 1 . 1 . 203 . 1 1 7 U H3 H -2.522 6.755 -9.576 . . . 1.0 . . . . . . . . . . . . A . 7 U H3 . . . . . . . . . rr_1i4b 1 . 1 . 204 . 1 1 7 U H3' H -5.565 6.339 -2.638 . . . 1.0 . . . . . . . . . . . . A . 7 U H3' . . . . . . . . . rr_1i4b 1 . 1 . 205 . 1 1 7 U H4' H -5.006 9.011 -2.903 . . . 1.0 . . . . . . . . . . . . A . 7 U H4' . . . . . . . . . rr_1i4b 1 . 1 . 206 . 1 1 7 U H5 H -0.251 5.892 -6.127 . . . 1.0 . . . . . . . . . . . . A . 7 U H5 . . . . . . . . . rr_1i4b 1 . 1 . 207 . 1 1 7 U H5' H -3.115 8.566 -1.741 . . . 1.0 . . . . . . . . . . . . A . 7 U H5' . . . . . . . . . rr_1i4b 1 . 1 . 208 . 1 1 7 U H5'' H -3.386 6.835 -2.020 . . . 1.0 . . . . . . . . . . . . A . 7 U H5'' . . . . . . . . . rr_1i4b 1 . 1 . 209 . 1 1 7 U H6 H -2.140 6.623 -4.786 . . . 1.0 . . . . . . . . . . . . A . 7 U H6 . . . . . . . . . rr_1i4b 1 . 1 . 210 . 1 1 7 U HO2' H -6.603 6.312 -5.934 . . . 1.0 . . . . . . . . . . . . A . 7 U HO2' . . . . . . . . . rr_1i4b 1 . 1 . 211 . 1 1 7 U N1 N -3.390 7.065 -6.452 . . . 1.0 . . . . . . . . . . . . A . 7 U N1 . . . . . . . . . rr_1i4b 1 . 1 . 212 . 1 1 7 U N3 N -2.434 6.722 -8.570 . . . 1.0 . . . . . . . . . . . . A . 7 U N3 . . . . . . . . . rr_1i4b 1 . 1 . 213 . 1 1 7 U O2 O -4.567 7.498 -8.375 . . . 1.0 . . . . . . . . . . . . A . 7 U O2 . . . . . . . . . rr_1i4b 1 . 1 . 214 . 1 1 7 U O2' O -6.148 5.647 -5.412 . . . 1.0 . . . . . . . . . . . . A . 7 U O2' . . . . . . . . . rr_1i4b 1 . 1 . 215 . 1 1 7 U O3' O -6.785 7.586 -3.789 . . . 1.0 . . . . . . . . . . . . A . 7 U O3' . . . . . . . . . rr_1i4b 1 . 1 . 216 . 1 1 7 U O4 O -0.319 5.963 -8.826 . . . 1.0 . . . . . . . . . . . . A . 7 U O4 . . . . . . . . . rr_1i4b 1 . 1 . 217 . 1 1 7 U O4' O -4.101 8.455 -4.671 . . . 1.0 . . . . . . . . . . . . A . 7 U O4' . . . . . . . . . rr_1i4b 1 . 1 . 218 . 1 1 7 U O5' O -2.098 7.756 -3.335 . . . 1.0 . . . . . . . . . . . . A . 7 U O5' . . . . . . . . . rr_1i4b 1 . 1 . 219 . 1 1 7 U OP1 O -0.056 8.743 -4.399 . . . 1.0 . . . . . . . . . . . . A . 7 U OP1 . . . . . . . . . rr_1i4b 1 . 1 . 220 . 1 1 7 U OP2 O -2.267 10.038 -4.360 . . . 1.0 . . . . . . . . . . . . A . 7 U OP2 . . . . . . . . . rr_1i4b 1 . 1 . 221 . 1 1 7 U P P -1.314 9.111 -3.711 . . . 1.0 . . . . . . . . . . . . A . 7 U P . . . . . . . . . rr_1i4b 1 . 1 . 222 . 1 1 8 A C1' C -6.139 4.298 -1.067 . . . 1.0 . . . . . . . . . . . . A . 8 A C1' . . . . . . . . . rr_1i4b 1 . 1 . 223 . 1 1 8 A C2 C -2.739 6.423 0.555 . . . 1.0 . . . . . . . . . . . . A . 8 A C2 . . . . . . . . . rr_1i4b 1 . 1 . 224 . 1 1 8 A C2' C -7.090 3.089 -0.988 . . . 1.0 . . . . . . . . . . . . A . 8 A C2' . . . . . . . . . rr_1i4b 1 . 1 . 225 . 1 1 8 A C3' C -8.085 3.339 -2.137 . . . 1.0 . . . . . . . . . . . . A . 8 A C3' . . . . . . . . . rr_1i4b 1 . 1 . 226 . 1 1 8 A C4 C -4.804 5.669 0.590 . . . 1.0 . . . . . . . . . . . . A . 8 A C4 . . . . . . . . . rr_1i4b 1 . 1 . 227 . 1 1 8 A C4' C -7.429 4.428 -2.971 . . . 1.0 . . . . . . . . . . . . A . 8 A C4' . . . . . . . . . rr_1i4b 1 . 1 . 228 . 1 1 8 A C5 C -5.066 6.241 1.801 . . . 1.0 . . . . . . . . . . . . A . 8 A C5 . . . . . . . . . rr_1i4b 1 . 1 . 229 . 1 1 8 A C5' C -8.389 5.341 -3.734 . . . 1.0 . . . . . . . . . . . . A . 8 A C5' . . . . . . . . . rr_1i4b 1 . 1 . 230 . 1 1 8 A C6 C -4.016 6.960 2.395 . . . 1.0 . . . . . . . . . . . . A . 8 A C6 . . . . . . . . . rr_1i4b 1 . 1 . 231 . 1 1 8 A C8 C -6.859 5.259 1.227 . . . 1.0 . . . . . . . . . . . . A . 8 A C8 . . . . . . . . . rr_1i4b 1 . 1 . 232 . 1 1 8 A H1' H -5.162 3.992 -1.438 . . . 1.0 . . . . . . . . . . . . A . 8 A H1' . . . . . . . . . rr_1i4b 1 . 1 . 233 . 1 1 8 A H2 H -1.771 6.528 0.060 . . . 1.0 . . . . . . . . . . . . A . 8 A H2 . . . . . . . . . rr_1i4b 1 . 1 . 234 . 1 1 8 A H2' H -7.605 3.049 -0.033 . . . 1.0 . . . . . . . . . . . . A . 8 A H2' . . . . . . . . . rr_1i4b 1 . 1 . 235 . 1 1 8 A H3' H -9.082 3.607 -1.790 . . . 1.0 . . . . . . . . . . . . A . 8 A H3' . . . . . . . . . rr_1i4b 1 . 1 . 236 . 1 1 8 A H4' H -6.711 3.995 -3.669 . . . 1.0 . . . . . . . . . . . . A . 8 A H4' . . . . . . . . . rr_1i4b 1 . 1 . 237 . 1 1 8 A H5' H -7.880 5.749 -4.608 . . . 1.0 . . . . . . . . . . . . A . 8 A H5' . . . . . . . . . rr_1i4b 1 . 1 . 238 . 1 1 8 A H5'' H -9.248 4.756 -4.063 . . . 1.0 . . . . . . . . . . . . A . 8 A H5'' . . . . . . . . . rr_1i4b 1 . 1 . 239 . 1 1 8 A H61 H -3.324 8.061 3.961 . . . 1.0 . . . . . . . . . . . . A . 8 A H61 . . . . . . . . . rr_1i4b 1 . 1 . 240 . 1 1 8 A H62 H -4.989 7.538 4.086 . . . 1.0 . . . . . . . . . . . . A . 8 A H62 . . . . . . . . . rr_1i4b 1 . 1 . 241 . 1 1 8 A H8 H -7.889 4.904 1.216 . . . 1.0 . . . . . . . . . . . . A . 8 A H8 . . . . . . . . . rr_1i4b 1 . 1 . 242 . 1 1 8 A HO2' H -6.155 1.848 -2.157 . . . 1.0 . . . . . . . . . . . . A . 8 A HO2' . . . . . . . . . rr_1i4b 1 . 1 . 243 . 1 1 8 A N1 N -2.850 7.030 1.731 . . . 1.0 . . . . . . . . . . . . A . 8 A N1 . . . . . . . . . rr_1i4b 1 . 1 . 244 . 1 1 8 A N3 N -3.646 5.718 -0.106 . . . 1.0 . . . . . . . . . . . . A . 8 A N3 . . . . . . . . . rr_1i4b 1 . 1 . 245 . 1 1 8 A N6 N -4.118 7.569 3.576 . . . 1.0 . . . . . . . . . . . . A . 8 A N6 . . . . . . . . . rr_1i4b 1 . 1 . 246 . 1 1 8 A N7 N -6.370 5.976 2.201 . . . 1.0 . . . . . . . . . . . . A . 8 A N7 . . . . . . . . . rr_1i4b 1 . 1 . 247 . 1 1 8 A N9 N -5.961 5.029 0.209 . . . 1.0 . . . . . . . . . . . . A . 8 A N9 . . . . . . . . . rr_1i4b 1 . 1 . 248 . 1 1 8 A O2' O -6.364 1.879 -1.221 . . . 1.0 . . . . . . . . . . . . A . 8 A O2' . . . . . . . . . rr_1i4b 1 . 1 . 249 . 1 1 8 A O3' O -8.105 2.157 -2.942 . . . 1.0 . . . . . . . . . . . . A . 8 A O3' . . . . . . . . . rr_1i4b 1 . 1 . 250 . 1 1 8 A O4' O -6.733 5.186 -2.004 . . . 1.0 . . . . . . . . . . . . A . 8 A O4' . . . . . . . . . rr_1i4b 1 . 1 . 251 . 1 1 8 A O5' O -8.847 6.423 -2.919 . . . 1.0 . . . . . . . . . . . . A . 8 A O5' . . . . . . . . . rr_1i4b 1 . 1 . 252 . 1 1 8 A OP1 O -8.695 8.924 -2.876 . . . 1.0 . . . . . . . . . . . . A . 8 A OP1 . . . . . . . . . rr_1i4b 1 . 1 . 253 . 1 1 8 A OP2 O -7.238 7.497 -1.328 . . . 1.0 . . . . . . . . . . . . A . 8 A OP2 . . . . . . . . . rr_1i4b 1 . 1 . 254 . 1 1 8 A P P -7.903 7.698 -2.634 . . . 1.0 . . . . . . . . . . . . A . 8 A P . . . . . . . . . rr_1i4b 1 . 1 . 255 . 1 1 9 G C1' C -4.453 1.552 -5.205 . . . 1.0 . . . . . . . . . . . . A . 9 G C1' . . . . . . . . . rr_1i4b 1 . 1 . 256 . 1 1 9 G C2 C -2.293 2.844 -1.683 . . . 1.0 . . . . . . . . . . . . A . 9 G C2 . . . . . . . . . rr_1i4b 1 . 1 . 257 . 1 1 9 G C2' C -4.635 0.485 -6.287 . . . 1.0 . . . . . . . . . . . . A . 9 G C2' . . . . . . . . . rr_1i4b 1 . 1 . 258 . 1 1 9 G C3' C -5.351 1.266 -7.379 . . . 1.0 . . . . . . . . . . . . A . 9 G C3' . . . . . . . . . rr_1i4b 1 . 1 . 259 . 1 1 9 G C4 C -3.718 1.530 -2.782 . . . 1.0 . . . . . . . . . . . . A . 9 G C4 . . . . . . . . . rr_1i4b 1 . 1 . 260 . 1 1 9 G C4' C -6.179 2.305 -6.629 . . . 1.0 . . . . . . . . . . . . A . 9 G C4' . . . . . . . . . rr_1i4b 1 . 1 . 261 . 1 1 9 G C5 C -4.029 0.769 -1.681 . . . 1.0 . . . . . . . . . . . . A . 9 G C5 . . . . . . . . . rr_1i4b 1 . 1 . 262 . 1 1 9 G C5' C -7.646 1.939 -6.433 . . . 1.0 . . . . . . . . . . . . A . 9 G C5' . . . . . . . . . rr_1i4b 1 . 1 . 263 . 1 1 9 G C6 C -3.413 1.060 -0.433 . . . 1.0 . . . . . . . . . . . . A . 9 G C6 . . . . . . . . . rr_1i4b 1 . 1 . 264 . 1 1 9 G C8 C -5.178 -0.027 -3.279 . . . 1.0 . . . . . . . . . . . . A . 9 G C8 . . . . . . . . . rr_1i4b 1 . 1 . 265 . 1 1 9 G H1 H -2.068 2.415 0.312 . . . 1.0 . . . . . . . . . . . . A . 9 G H1 . . . . . . . . . rr_1i4b 1 . 1 . 266 . 1 1 9 G H1' H -3.531 2.115 -5.367 . . . 1.0 . . . . . . . . . . . . A . 9 G H1' . . . . . . . . . rr_1i4b 1 . 1 . 267 . 1 1 9 G H2' H -5.246 -0.341 -5.943 . . . 1.0 . . . . . . . . . . . . A . 9 G H2' . . . . . . . . . rr_1i4b 1 . 1 . 268 . 1 1 9 G H21 H -1.060 4.124 -0.693 . . . 1.0 . . . . . . . . . . . . A . 9 G H21 . . . . . . . . . rr_1i4b 1 . 1 . 269 . 1 1 9 G H22 H -1.167 4.370 -2.421 . . . 1.0 . . . . . . . . . . . . A . 9 G H22 . . . . . . . . . rr_1i4b 1 . 1 . 270 . 1 1 9 G H3' H -5.949 0.634 -8.036 . . . 1.0 . . . . . . . . . . . . A . 9 G H3' . . . . . . . . . rr_1i4b 1 . 1 . 271 . 1 1 9 G H4' H -6.121 3.265 -7.138 . . . 1.0 . . . . . . . . . . . . A . 9 G H4' . . . . . . . . . rr_1i4b 1 . 1 . 272 . 1 1 9 G H5' H -8.184 2.113 -7.365 . . . 1.0 . . . . . . . . . . . . A . 9 G H5' . . . . . . . . . rr_1i4b 1 . 1 . 273 . 1 1 9 G H5'' H -7.717 0.882 -6.172 . . . 1.0 . . . . . . . . . . . . A . 9 G H5'' . . . . . . . . . rr_1i4b 1 . 1 . 274 . 1 1 9 G H8 H -5.894 -0.622 -3.841 . . . 1.0 . . . . . . . . . . . . A . 9 G H8 . . . . . . . . . rr_1i4b 1 . 1 . 275 . 1 1 9 G HO2' H -3.524 -0.494 -7.549 . . . 1.0 . . . . . . . . . . . . A . 9 G HO2' . . . . . . . . . rr_1i4b 1 . 1 . 276 . 1 1 9 G N1 N -2.545 2.133 -0.531 . . . 1.0 . . . . . . . . . . . . A . 9 G N1 . . . . . . . . . rr_1i4b 1 . 1 . 277 . 1 1 9 G N2 N -1.436 3.860 -1.592 . . . 1.0 . . . . . . . . . . . . A . 9 G N2 . . . . . . . . . rr_1i4b 1 . 1 . 278 . 1 1 9 G N3 N -2.862 2.578 -2.860 . . . 1.0 . . . . . . . . . . . . A . 9 G N3 . . . . . . . . . rr_1i4b 1 . 1 . 279 . 1 1 9 G N7 N -4.953 -0.213 -2.009 . . . 1.0 . . . . . . . . . . . . A . 9 G N7 . . . . . . . . . rr_1i4b 1 . 1 . 280 . 1 1 9 G N9 N -4.458 1.018 -3.821 . . . 1.0 . . . . . . . . . . . . A . 9 G N9 . . . . . . . . . rr_1i4b 1 . 1 . 281 . 1 1 9 G O2' O -3.365 0.026 -6.757 . . . 1.0 . . . . . . . . . . . . A . 9 G O2' . . . . . . . . . rr_1i4b 1 . 1 . 282 . 1 1 9 G O3' O -4.350 1.979 -8.107 . . . 1.0 . . . . . . . . . . . . A . 9 G O3' . . . . . . . . . rr_1i4b 1 . 1 . 283 . 1 1 9 G O4' O -5.567 2.434 -5.343 . . . 1.0 . . . . . . . . . . . . A . 9 G O4' . . . . . . . . . rr_1i4b 1 . 1 . 284 . 1 1 9 G O5' O -8.243 2.728 -5.393 . . . 1.0 . . . . . . . . . . . . A . 9 G O5' . . . . . . . . . rr_1i4b 1 . 1 . 285 . 1 1 9 G O6 O -3.560 0.485 0.644 . . . 1.0 . . . . . . . . . . . . A . 9 G O6 . . . . . . . . . rr_1i4b 1 . 1 . 286 . 1 1 9 G OP1 O -10.280 2.890 -3.943 . . . 1.0 . . . . . . . . . . . . A . 9 G OP1 . . . . . . . . . rr_1i4b 1 . 1 . 287 . 1 1 9 G OP2 O -9.273 0.610 -4.532 . . . 1.0 . . . . . . . . . . . . A . 9 G OP2 . . . . . . . . . rr_1i4b 1 . 1 . 288 . 1 1 9 G P P -9.098 2.043 -4.208 . . . 1.0 . . . . . . . . . . . . A . 9 G P . . . . . . . . . rr_1i4b 1 . 1 . 289 . 1 1 10 C C1' C 0.486 3.024 -6.338 . . . 1.0 . . . . . . . . . . . . A . 10 C C1' . . . . . . . . . rr_1i4b 1 . 1 . 290 . 1 1 10 C C2 C 0.442 2.021 -4.081 . . . 1.0 . . . . . . . . . . . . A . 10 C C2 . . . . . . . . . rr_1i4b 1 . 1 . 291 . 1 1 10 C C2' C 1.473 2.365 -7.305 . . . 1.0 . . . . . . . . . . . . A . 10 C C2' . . . . . . . . . rr_1i4b 1 . 1 . 292 . 1 1 10 C C3' C 0.606 2.104 -8.526 . . . 1.0 . . . . . . . . . . . . A . 10 C C3' . . . . . . . . . rr_1i4b 1 . 1 . 293 . 1 1 10 C C4 C -1.033 0.276 -3.554 . . . 1.0 . . . . . . . . . . . . A . 10 C C4 . . . . . . . . . rr_1i4b 1 . 1 . 294 . 1 1 10 C C4' C -0.333 3.291 -8.535 . . . 1.0 . . . . . . . . . . . . A . 10 C C4' . . . . . . . . . rr_1i4b 1 . 1 . 295 . 1 1 10 C C5 C -1.569 0.294 -4.878 . . . 1.0 . . . . . . . . . . . . A . 10 C C5 . . . . . . . . . rr_1i4b 1 . 1 . 296 . 1 1 10 C C5' C -1.655 3.056 -9.256 . . . 1.0 . . . . . . . . . . . . A . 10 C C5' . . . . . . . . . rr_1i4b 1 . 1 . 297 . 1 1 10 C C6 C -1.072 1.192 -5.748 . . . 1.0 . . . . . . . . . . . . A . 10 C C6 . . . . . . . . . rr_1i4b 1 . 1 . 298 . 1 1 10 C H1' H 0.956 3.854 -5.806 . . . 1.0 . . . . . . . . . . . . A . 10 C H1' . . . . . . . . . rr_1i4b 1 . 1 . 299 . 1 1 10 C H2' H 1.859 1.432 -6.893 . . . 1.0 . . . . . . . . . . . . A . 10 C H2' . . . . . . . . . rr_1i4b 1 . 1 . 300 . 1 1 10 C H3' H 0.091 1.144 -8.495 . . . 1.0 . . . . . . . . . . . . A . 10 C H3' . . . . . . . . . rr_1i4b 1 . 1 . 301 . 1 1 10 C H4' H 0.158 4.165 -8.965 . . . 1.0 . . . . . . . . . . . . A . 10 C H4' . . . . . . . . . rr_1i4b 1 . 1 . 302 . 1 1 10 C H41 H -1.138 -0.538 -1.694 . . . 1.0 . . . . . . . . . . . . A . 10 C H41 . . . . . . . . . rr_1i4b 1 . 1 . 303 . 1 1 10 C H42 H -2.213 -1.238 -2.882 . . . 1.0 . . . . . . . . . . . . A . 10 C H42 . . . . . . . . . rr_1i4b 1 . 1 . 304 . 1 1 10 C H5 H -2.332 -0.415 -5.192 . . . 1.0 . . . . . . . . . . . . A . 10 C H5 . . . . . . . . . rr_1i4b 1 . 1 . 305 . 1 1 10 C H5' H -2.416 3.707 -8.825 . . . 1.0 . . . . . . . . . . . . A . 10 C H5' . . . . . . . . . rr_1i4b 1 . 1 . 306 . 1 1 10 C H5'' H -1.535 3.299 -10.313 . . . 1.0 . . . . . . . . . . . . A . 10 C H5'' . . . . . . . . . rr_1i4b 1 . 1 . 307 . 1 1 10 C H6 H -1.482 1.248 -6.758 . . . 1.0 . . . . . . . . . . . . A . 10 C H6 . . . . . . . . . rr_1i4b 1 . 1 . 308 . 1 1 10 C HO2' H 2.626 3.269 -8.584 . . . 1.0 . . . . . . . . . . . . A . 10 C HO2' . . . . . . . . . rr_1i4b 1 . 1 . 309 . 1 1 10 C N1 N -0.079 2.049 -5.372 . . . 1.0 . . . . . . . . . . . . A . 10 C N1 . . . . . . . . . rr_1i4b 1 . 1 . 310 . 1 1 10 C N3 N -0.061 1.121 -3.193 . . . 1.0 . . . . . . . . . . . . A . 10 C N3 . . . . . . . . . rr_1i4b 1 . 1 . 311 . 1 1 10 C N4 N -1.499 -0.568 -2.636 . . . 1.0 . . . . . . . . . . . . A . 10 C N4 . . . . . . . . . rr_1i4b 1 . 1 . 312 . 1 1 10 C O2 O 1.342 2.795 -3.760 . . . 1.0 . . . . . . . . . . . . A . 10 C O2 . . . . . . . . . rr_1i4b 1 . 1 . 313 . 1 1 10 C O2' O 2.536 3.266 -7.628 . . . 1.0 . . . . . . . . . . . . A . 10 C O2' . . . . . . . . . rr_1i4b 1 . 1 . 314 . 1 1 10 C O3' O 1.446 2.220 -9.675 . . . 1.0 . . . . . . . . . . . . A . 10 C O3' . . . . . . . . . rr_1i4b 1 . 1 . 315 . 1 1 10 C O4' O -0.586 3.534 -7.150 . . . 1.0 . . . . . . . . . . . . A . 10 C O4' . . . . . . . . . rr_1i4b 1 . 1 . 316 . 1 1 10 C O5' O -2.079 1.697 -9.138 . . . 1.0 . . . . . . . . . . . . A . 10 C O5' . . . . . . . . . rr_1i4b 1 . 1 . 317 . 1 1 10 C OP1 O -4.093 1.982 -10.599 . . . 1.0 . . . . . . . . . . . . A . 10 C OP1 . . . . . . . . . rr_1i4b 1 . 1 . 318 . 1 1 10 C OP2 O -3.745 -0.168 -9.247 . . . 1.0 . . . . . . . . . . . . A . 10 C OP2 . . . . . . . . . rr_1i4b 1 . 1 . 319 . 1 1 10 C P P -3.620 1.302 -9.372 . . . 1.0 . . . . . . . . . . . . A . 10 C P . . . . . . . . . rr_1i4b 1 . 1 . 320 . 1 1 11 A C1' C 4.299 -0.712 -5.093 . . . 1.0 . . . . . . . . . . . . A . 11 A C1' . . . . . . . . . rr_1i4b 1 . 1 . 321 . 1 1 11 A C2 C 2.954 -2.037 -1.204 . . . 1.0 . . . . . . . . . . . . A . 11 A C2 . . . . . . . . . rr_1i4b 1 . 1 . 322 . 1 1 11 A C2' C 4.914 -1.808 -5.965 . . . 1.0 . . . . . . . . . . . . A . 11 A C2' . . . . . . . . . rr_1i4b 1 . 1 . 323 . 1 1 11 A C3' C 4.775 -1.247 -7.371 . . . 1.0 . . . . . . . . . . . . A . 11 A C3' . . . . . . . . . rr_1i4b 1 . 1 . 324 . 1 1 11 A C4 C 2.688 -1.524 -3.322 . . . 1.0 . . . . . . . . . . . . A . 11 A C4 . . . . . . . . . rr_1i4b 1 . 1 . 325 . 1 1 11 A C4' C 4.879 0.247 -7.159 . . . 1.0 . . . . . . . . . . . . A . 11 A C4' . . . . . . . . . rr_1i4b 1 . 1 . 326 . 1 1 11 A C5 C 1.370 -1.872 -3.314 . . . 1.0 . . . . . . . . . . . . A . 11 A C5 . . . . . . . . . rr_1i4b 1 . 1 . 327 . 1 1 11 A C5' C 4.241 1.097 -8.250 . . . 1.0 . . . . . . . . . . . . A . 11 A C5' . . . . . . . . . rr_1i4b 1 . 1 . 328 . 1 1 11 A C6 C 0.854 -2.345 -2.094 . . . 1.0 . . . . . . . . . . . . A . 11 A C6 . . . . . . . . . rr_1i4b 1 . 1 . 329 . 1 1 11 A C8 C 1.789 -1.218 -5.291 . . . 1.0 . . . . . . . . . . . . A . 11 A C8 . . . . . . . . . rr_1i4b 1 . 1 . 330 . 1 1 11 A H1' H 4.944 -0.492 -4.242 . . . 1.0 . . . . . . . . . . . . A . 11 A H1' . . . . . . . . . rr_1i4b 1 . 1 . 331 . 1 1 11 A H2 H 3.582 -2.115 -0.316 . . . 1.0 . . . . . . . . . . . . A . 11 A H2 . . . . . . . . . rr_1i4b 1 . 1 . 332 . 1 1 11 A H2' H 4.347 -2.734 -5.864 . . . 1.0 . . . . . . . . . . . . A . 11 A H2' . . . . . . . . . rr_1i4b 1 . 1 . 333 . 1 1 11 A H3' H 3.855 -1.552 -7.871 . . . 1.0 . . . . . . . . . . . . A . 11 A H3' . . . . . . . . . rr_1i4b 1 . 1 . 334 . 1 1 11 A H4' H 5.921 0.545 -7.045 . . . 1.0 . . . . . . . . . . . . A . 11 A H4' . . . . . . . . . rr_1i4b 1 . 1 . 335 . 1 1 11 A H5' H 4.040 2.092 -7.854 . . . 1.0 . . . . . . . . . . . . A . 11 A H5' . . . . . . . . . rr_1i4b 1 . 1 . 336 . 1 1 11 A H5'' H 4.935 1.181 -9.085 . . . 1.0 . . . . . . . . . . . . A . 11 A H5'' . . . . . . . . . rr_1i4b 1 . 1 . 337 . 1 1 11 A H61 H -0.697 -3.144 -1.048 . . . 1.0 . . . . . . . . . . . . A . 11 A H61 . . . . . . . . . rr_1i4b 1 . 1 . 338 . 1 1 11 A H62 H -1.067 -2.657 -2.686 . . . 1.0 . . . . . . . . . . . . A . 11 A H62 . . . . . . . . . rr_1i4b 1 . 1 . 339 . 1 1 11 A H8 H 1.689 -0.959 -6.345 . . . 1.0 . . . . . . . . . . . . A . 11 A H8 . . . . . . . . . rr_1i4b 1 . 1 . 340 . 1 1 11 A HO2' H 6.341 -2.758 -5.048 . . . 1.0 . . . . . . . . . . . . A . 11 A HO2' . . . . . . . . . rr_1i4b 1 . 1 . 341 . 1 1 11 A N1 N 1.692 -2.413 -1.047 . . . 1.0 . . . . . . . . . . . . A . 11 A N1 . . . . . . . . . rr_1i4b 1 . 1 . 342 . 1 1 11 A N3 N 3.557 -1.581 -2.290 . . . 1.0 . . . . . . . . . . . . A . 11 A N3 . . . . . . . . . rr_1i4b 1 . 1 . 343 . 1 1 11 A N6 N -0.405 -2.748 -1.930 . . . 1.0 . . . . . . . . . . . . A . 11 A N6 . . . . . . . . . rr_1i4b 1 . 1 . 344 . 1 1 11 A N7 N 0.801 -1.675 -4.569 . . . 1.0 . . . . . . . . . . . . A . 11 A N7 . . . . . . . . . rr_1i4b 1 . 1 . 345 . 1 1 11 A N9 N 2.967 -1.103 -4.599 . . . 1.0 . . . . . . . . . . . . A . 11 A N9 . . . . . . . . . rr_1i4b 1 . 1 . 346 . 1 1 11 A O2' O 6.291 -2.000 -5.635 . . . 1.0 . . . . . . . . . . . . A . 11 A O2' . . . . . . . . . rr_1i4b 1 . 1 . 347 . 1 1 11 A O3' O 5.938 -1.653 -8.098 . . . 1.0 . . . . . . . . . . . . A . 11 A O3' . . . . . . . . . rr_1i4b 1 . 1 . 348 . 1 1 11 A O4' O 4.199 0.460 -5.920 . . . 1.0 . . . . . . . . . . . . A . 11 A O4' . . . . . . . . . rr_1i4b 1 . 1 . 349 . 1 1 11 A O5' O 3.020 0.521 -8.717 . . . 1.0 . . . . . . . . . . . . A . 11 A O5' . . . . . . . . . rr_1i4b 1 . 1 . 350 . 1 1 11 A OP1 O 3.471 1.516 -10.972 . . . 1.0 . . . . . . . . . . . . A . 11 A OP1 . . . . . . . . . rr_1i4b 1 . 1 . 351 . 1 1 11 A OP2 O 1.511 -0.098 -10.618 . . . 1.0 . . . . . . . . . . . . A . 11 A OP2 . . . . . . . . . rr_1i4b 1 . 1 . 352 . 1 1 11 A P P 2.382 0.989 -10.118 . . . 1.0 . . . . . . . . . . . . A . 11 A P . . . . . . . . . rr_1i4b 1 . 1 . 353 . 1 1 12 C C1' C 6.370 -4.923 -3.503 . . . 1.0 . . . . . . . . . . . . A . 12 C C1' . . . . . . . . . rr_1i4b 1 . 1 . 354 . 1 1 12 C C2 C 4.169 -5.315 -2.462 . . . 1.0 . . . . . . . . . . . . A . 12 C C2 . . . . . . . . . rr_1i4b 1 . 1 . 355 . 1 1 12 C C2' C 7.166 -6.216 -3.704 . . . 1.0 . . . . . . . . . . . . A . 12 C C2' . . . . . . . . . rr_1i4b 1 . 1 . 356 . 1 1 12 C C3' C 7.601 -6.105 -5.157 . . . 1.0 . . . . . . . . . . . . A . 12 C C3' . . . . . . . . . rr_1i4b 1 . 1 . 357 . 1 1 12 C C4 C 2.228 -5.551 -3.759 . . . 1.0 . . . . . . . . . . . . A . 12 C C4 . . . . . . . . . rr_1i4b 1 . 1 . 358 . 1 1 12 C C4' C 7.840 -4.618 -5.319 . . . 1.0 . . . . . . . . . . . . A . 12 C C4' . . . . . . . . . rr_1i4b 1 . 1 . 359 . 1 1 12 C C5 C 2.980 -5.375 -4.963 . . . 1.0 . . . . . . . . . . . . A . 12 C C5 . . . . . . . . . rr_1i4b 1 . 1 . 360 . 1 1 12 C C5' C 7.776 -4.103 -6.756 . . . 1.0 . . . . . . . . . . . . A . 12 C C5' . . . . . . . . . rr_1i4b 1 . 1 . 361 . 1 1 12 C C6 C 4.307 -5.174 -4.852 . . . 1.0 . . . . . . . . . . . . A . 12 C C6 . . . . . . . . . rr_1i4b 1 . 1 . 362 . 1 1 12 C H1' H 6.601 -4.469 -2.537 . . . 1.0 . . . . . . . . . . . . A . 12 C H1' . . . . . . . . . rr_1i4b 1 . 1 . 363 . 1 1 12 C H2' H 6.535 -7.091 -3.549 . . . 1.0 . . . . . . . . . . . . A . 12 C H2' . . . . . . . . . rr_1i4b 1 . 1 . 364 . 1 1 12 C H3' H 6.872 -6.506 -5.861 . . . 1.0 . . . . . . . . . . . . A . 12 C H3' . . . . . . . . . rr_1i4b 1 . 1 . 365 . 1 1 12 C H4' H 8.799 -4.335 -4.882 . . . 1.0 . . . . . . . . . . . . A . 12 C H4' . . . . . . . . . rr_1i4b 1 . 1 . 366 . 1 1 12 C H41 H 0.393 -5.840 -2.928 . . . 1.0 . . . . . . . . . . . . A . 12 C H41 . . . . . . . . . rr_1i4b 1 . 1 . 367 . 1 1 12 C H42 H 0.430 -5.814 -4.677 . . . 1.0 . . . . . . . . . . . . A . 12 C H42 . . . . . . . . . rr_1i4b 1 . 1 . 368 . 1 1 12 C H5 H 2.504 -5.400 -5.943 . . . 1.0 . . . . . . . . . . . . A . 12 C H5 . . . . . . . . . rr_1i4b 1 . 1 . 369 . 1 1 12 C H5' H 8.276 -3.135 -6.811 . . . 1.0 . . . . . . . . . . . . A . 12 C H5' . . . . . . . . . rr_1i4b 1 . 1 . 370 . 1 1 12 C H5'' H 8.294 -4.807 -7.408 . . . 1.0 . . . . . . . . . . . . A . 12 C H5'' . . . . . . . . . rr_1i4b 1 . 1 . 371 . 1 1 12 C H6 H 4.908 -5.037 -5.750 . . . 1.0 . . . . . . . . . . . . A . 12 C H6 . . . . . . . . . rr_1i4b 1 . 1 . 372 . 1 1 12 C HO2' H 9.084 -6.303 -3.398 . . . 1.0 . . . . . . . . . . . . A . 12 C HO2' . . . . . . . . . rr_1i4b 1 . 1 . 373 . 1 1 12 C N1 N 4.908 -5.142 -3.627 . . . 1.0 . . . . . . . . . . . . A . 12 C N1 . . . . . . . . . rr_1i4b 1 . 1 . 374 . 1 1 12 C N3 N 2.826 -5.518 -2.562 . . . 1.0 . . . . . . . . . . . . A . 12 C N3 . . . . . . . . . rr_1i4b 1 . 1 . 375 . 1 1 12 C N4 N 0.911 -5.751 -3.791 . . . 1.0 . . . . . . . . . . . . A . 12 C N4 . . . . . . . . . rr_1i4b 1 . 1 . 376 . 1 1 12 C O2 O 4.726 -5.284 -1.366 . . . 1.0 . . . . . . . . . . . . A . 12 C O2 . . . . . . . . . rr_1i4b 1 . 1 . 377 . 1 1 12 C O2' O 8.305 -6.242 -2.840 . . . 1.0 . . . . . . . . . . . . A . 12 C O2' . . . . . . . . . rr_1i4b 1 . 1 . 378 . 1 1 12 C O3' O 8.869 -6.754 -5.271 . . . 1.0 . . . . . . . . . . . . A . 12 C O3' . . . . . . . . . rr_1i4b 1 . 1 . 379 . 1 1 12 C O4' O 6.789 -4.030 -4.552 . . . 1.0 . . . . . . . . . . . . A . 12 C O4' . . . . . . . . . rr_1i4b 1 . 1 . 380 . 1 1 12 C O5' O 6.427 -3.954 -7.207 . . . 1.0 . . . . . . . . . . . . A . 12 C O5' . . . . . . . . . rr_1i4b 1 . 1 . 381 . 1 1 12 C OP1 O 7.307 -3.259 -9.448 . . . 1.0 . . . . . . . . . . . . A . 12 C OP1 . . . . . . . . . rr_1i4b 1 . 1 . 382 . 1 1 12 C OP2 O 4.801 -3.654 -9.090 . . . 1.0 . . . . . . . . . . . . A . 12 C OP2 . . . . . . . . . rr_1i4b 1 . 1 . 383 . 1 1 12 C P P 6.108 -3.179 -8.583 . . . 1.0 . . . . . . . . . . . . A . 12 C P . . . . . . . . . rr_1i4b 1 . 1 . 384 . 1 1 13 C C1' C 5.453 -9.338 -1.832 . . . 1.0 . . . . . . . . . . . . A . 13 C C1' . . . . . . . . . rr_1i4b 1 . 1 . 385 . 1 1 13 C C2 C 3.031 -9.023 -2.103 . . . 1.0 . . . . . . . . . . . . A . 13 C C2 . . . . . . . . . rr_1i4b 1 . 1 . 386 . 1 1 13 C C2' C 5.714 -10.842 -1.664 . . . 1.0 . . . . . . . . . . . . A . 13 C C2' . . . . . . . . . rr_1i4b 1 . 1 . 387 . 1 1 13 C C3' C 6.991 -11.073 -2.473 . . . 1.0 . . . . . . . . . . . . A . 13 C C3' . . . . . . . . . rr_1i4b 1 . 1 . 388 . 1 1 13 C C4 C 2.077 -8.593 -4.203 . . . 1.0 . . . . . . . . . . . . A . 13 C C4 . . . . . . . . . rr_1i4b 1 . 1 . 389 . 1 1 13 C C4' C 7.689 -9.732 -2.348 . . . 1.0 . . . . . . . . . . . . A . 13 C C4' . . . . . . . . . rr_1i4b 1 . 1 . 390 . 1 1 13 C C5 C 3.365 -8.638 -4.826 . . . 1.0 . . . . . . . . . . . . A . 13 C C5 . . . . . . . . . rr_1i4b 1 . 1 . 391 . 1 1 13 C C5' C 8.729 -9.443 -3.426 . . . 1.0 . . . . . . . . . . . . A . 13 C C5' . . . . . . . . . rr_1i4b 1 . 1 . 392 . 1 1 13 C C6 C 4.434 -8.877 -4.043 . . . 1.0 . . . . . . . . . . . . A . 13 C C6 . . . . . . . . . rr_1i4b 1 . 1 . 393 . 1 1 13 C H1' H 5.313 -8.857 -0.863 . . . 1.0 . . . . . . . . . . . . A . 13 C H1' . . . . . . . . . rr_1i4b 1 . 1 . 394 . 1 1 13 C H2' H 4.888 -11.426 -2.071 . . . 1.0 . . . . . . . . . . . . A . 13 C H2' . . . . . . . . . rr_1i4b 1 . 1 . 395 . 1 1 13 C H3' H 6.761 -11.300 -3.514 . . . 1.0 . . . . . . . . . . . . A . 13 C H3' . . . . . . . . . rr_1i4b 1 . 1 . 396 . 1 1 13 C H4' H 8.153 -9.629 -1.367 . . . 1.0 . . . . . . . . . . . . A . 13 C H4' . . . . . . . . . rr_1i4b 1 . 1 . 397 . 1 1 13 C H41 H 0.073 -8.343 -4.458 . . . 1.0 . . . . . . . . . . . . A . 13 C H41 . . . . . . . . . rr_1i4b 1 . 1 . 398 . 1 1 13 C H42 H 1.037 -8.211 -5.912 . . . 1.0 . . . . . . . . . . . . A . 13 C H42 . . . . . . . . . rr_1i4b 1 . 1 . 399 . 1 1 13 C H5 H 3.486 -8.483 -5.898 . . . 1.0 . . . . . . . . . . . . A . 13 C H5 . . . . . . . . . rr_1i4b 1 . 1 . 400 . 1 1 13 C H5' H 9.374 -8.630 -3.092 . . . 1.0 . . . . . . . . . . . . A . 13 C H5' . . . . . . . . . rr_1i4b 1 . 1 . 401 . 1 1 13 C H5'' H 9.334 -10.336 -3.583 . . . 1.0 . . . . . . . . . . . . A . 13 C H5'' . . . . . . . . . rr_1i4b 1 . 1 . 402 . 1 1 13 C H6 H 5.428 -8.924 -4.487 . . . 1.0 . . . . . . . . . . . . A . 13 C H6 . . . . . . . . . rr_1i4b 1 . 1 . 403 . 1 1 13 C HO2' H 5.254 -11.784 -0.026 . . . 1.0 . . . . . . . . . . . . A . 13 C HO2' . . . . . . . . . rr_1i4b 1 . 1 . 404 . 1 1 13 C HO3' H 8.419 -11.679 -1.301 . . . 1.0 . . . . . . . . . . . . A . 13 C HO3' . . . . . . . . . rr_1i4b 1 . 1 . 405 . 1 1 13 C N1 N 4.284 -9.068 -2.700 . . . 1.0 . . . . . . . . . . . . A . 13 C N1 . . . . . . . . . rr_1i4b 1 . 1 . 406 . 1 1 13 C N3 N 1.943 -8.782 -2.884 . . . 1.0 . . . . . . . . . . . . A . 13 C N3 . . . . . . . . . rr_1i4b 1 . 1 . 407 . 1 1 13 C N4 N 0.974 -8.363 -4.915 . . . 1.0 . . . . . . . . . . . . A . 13 C N4 . . . . . . . . . rr_1i4b 1 . 1 . 408 . 1 1 13 C O2 O 2.919 -9.199 -0.892 . . . 1.0 . . . . . . . . . . . . A . 13 C O2 . . . . . . . . . rr_1i4b 1 . 1 . 409 . 1 1 13 C O2' O 5.933 -11.157 -0.287 . . . 1.0 . . . . . . . . . . . . A . 13 C O2' . . . . . . . . . rr_1i4b 1 . 1 . 410 . 1 1 13 C O3' O 7.782 -12.105 -1.879 . . . 1.0 . . . . . . . . . . . . A . 13 C O3' . . . . . . . . . rr_1i4b 1 . 1 . 411 . 1 1 13 C O4' O 6.623 -8.799 -2.456 . . . 1.0 . . . . . . . . . . . . A . 13 C O4' . . . . . . . . . rr_1i4b 1 . 1 . 412 . 1 1 13 C O5' O 8.117 -9.072 -4.664 . . . 1.0 . . . . . . . . . . . . A . 13 C O5' . . . . . . . . . rr_1i4b 1 . 1 . 413 . 1 1 13 C OP1 O 10.371 -8.713 -5.694 . . . 1.0 . . . . . . . . . . . . A . 13 C OP1 . . . . . . . . . rr_1i4b 1 . 1 . 414 . 1 1 13 C OP2 O 8.234 -8.379 -7.067 . . . 1.0 . . . . . . . . . . . . A . 13 C OP2 . . . . . . . . . rr_1i4b 1 . 1 . 415 . 1 1 13 C P P 8.959 -8.278 -5.782 . . . 1.0 . . . . . . . . . . . . A . 13 C P . . . . . . . . . rr_1i4b 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_1i4b _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 1i4b.mr . . 'MR format' 1 comment 'Not applicable' 'Not applicable' 0 rr_1i4b 1 1 1i4b.mr . . XPLOR/CNS 2 distance 'hydrogen bond' simple 20 rr_1i4b 1 1 1i4b.mr . . XPLOR/CNS 3 distance NOE simple 159 rr_1i4b 1 1 1i4b.mr . . 'MR format' 4 'nomenclature mapping' 'Not applicable' 'Not applicable' 0 rr_1i4b 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_1i4b _Gen_dist_constraint_list.ID 2 _Gen_dist_constraint_list.Constraint_type NOE _Gen_dist_constraint_list.Details 'Generated by Wattos' _Gen_dist_constraint_list.Constraint_file_ID 1 _Gen_dist_constraint_list.Block_ID 3 loop_ _Gen_dist_constraint_software.Software_ID _Gen_dist_constraint_software.Software_label _Gen_dist_constraint_software.Method_ID _Gen_dist_constraint_software.Method_label _Gen_dist_constraint_software.Entry_ID _Gen_dist_constraint_software.Gen_dist_constraint_list_ID . . . . rr_1i4b 1 stop_ loop_ _Gen_dist_constraint.ID _Gen_dist_constraint.Member_ID _Gen_dist_constraint.Member_logic_code _Gen_dist_constraint.Assembly_atom_ID_1 _Gen_dist_constraint.Entity_assembly_ID_1 _Gen_dist_constraint.Entity_ID_1 _Gen_dist_constraint.Comp_index_ID_1 _Gen_dist_constraint.Seq_ID_1 _Gen_dist_constraint.Comp_ID_1 _Gen_dist_constraint.Atom_ID_1 _Gen_dist_constraint.Atom_type_1 _Gen_dist_constraint.Atom_isotope_number_1 _Gen_dist_constraint.Resonance_ID_1 _Gen_dist_constraint.Assembly_atom_ID_2 _Gen_dist_constraint.Entity_assembly_ID_2 _Gen_dist_constraint.Entity_ID_2 _Gen_dist_constraint.Comp_index_ID_2 _Gen_dist_constraint.Seq_ID_2 _Gen_dist_constraint.Comp_ID_2 _Gen_dist_constraint.Atom_ID_2 _Gen_dist_constraint.Atom_type_2 _Gen_dist_constraint.Atom_isotope_number_2 _Gen_dist_constraint.Resonance_ID_2 _Gen_dist_constraint.Intensity_val _Gen_dist_constraint.Intensity_lower_val_err _Gen_dist_constraint.Intensity_upper_val_err _Gen_dist_constraint.Distance_val _Gen_dist_constraint.Distance_lower_bound_val _Gen_dist_constraint.Distance_upper_bound_val _Gen_dist_constraint.Contribution_fractional_val _Gen_dist_constraint.Spectral_peak_ID _Gen_dist_constraint.Spectral_peak_list_ID _Gen_dist_constraint.PDB_record_ID_1 _Gen_dist_constraint.PDB_model_num_1 _Gen_dist_constraint.PDB_strand_ID_1 _Gen_dist_constraint.PDB_ins_code_1 _Gen_dist_constraint.PDB_residue_no_1 _Gen_dist_constraint.PDB_residue_name_1 _Gen_dist_constraint.PDB_atom_name_1 _Gen_dist_constraint.PDB_record_ID_2 _Gen_dist_constraint.PDB_model_num_2 _Gen_dist_constraint.PDB_strand_ID_2 _Gen_dist_constraint.PDB_ins_code_2 _Gen_dist_constraint.PDB_residue_no_2 _Gen_dist_constraint.PDB_residue_name_2 _Gen_dist_constraint.PDB_atom_name_2 _Gen_dist_constraint.Auth_entity_assembly_ID_1 _Gen_dist_constraint.Auth_asym_ID_1 _Gen_dist_constraint.Auth_chain_ID_1 _Gen_dist_constraint.Auth_seq_ID_1 _Gen_dist_constraint.Auth_comp_ID_1 _Gen_dist_constraint.Auth_atom_ID_1 _Gen_dist_constraint.Auth_alt_ID_1 _Gen_dist_constraint.Auth_atom_name_1 _Gen_dist_constraint.Auth_entity_assembly_ID_2 _Gen_dist_constraint.Auth_asym_ID_2 _Gen_dist_constraint.Auth_chain_ID_2 _Gen_dist_constraint.Auth_seq_ID_2 _Gen_dist_constraint.Auth_comp_ID_2 _Gen_dist_constraint.Auth_atom_ID_2 _Gen_dist_constraint.Auth_alt_ID_2 _Gen_dist_constraint.Auth_atom_name_2 _Gen_dist_constraint.Entry_ID _Gen_dist_constraint.Gen_dist_constraint_list_ID 1 1 . . 1 1 2 2 G H1 H . . . 1 1 3 3 U H3 H . . . . . 1.8 1.8 5.0 . . . . . A . 2 G H1 . . A . 3 U H3 . . . 2 . H1 . . . . . 3 . H3 . . rr_1i4b 1 2 1 . . 1 1 3 3 U H3 H . . . 1 1 4 4 G H1 H . . . . . 1.8 1.8 5.0 . . . . . A . 3 U H3 . . A . 4 G H1 . . . 3 . H3 . . . . . 4 . H1 . . rr_1i4b 1 3 1 . . 1 1 4 4 G H1 H . . . 1 1 9 9 G H1 H . . . . . 1.8 1.8 5.0 . . . . . A . 4 G H1 . . A . 9 G H1 . . . 4 . H1 . . . . . 9 . H1 . . rr_1i4b 1 4 1 . . 1 1 2 2 G H1 H . . . 1 1 12 12 C H41 H . . . . . 1.8 1.8 5.0 . . . . . A . 2 G H1 . . A . 12 C H41 . . . 2 . H1 . . . . . 12 . H41 . . rr_1i4b 1 5 1 . . 1 1 2 2 G H1 H . . . 1 1 12 12 C H42 H . . . . . 1.8 1.8 5.0 . . . . . A . 2 G H1 . . A . 12 C H42 . . . 2 . H1 . . . . . 12 . H42 . . rr_1i4b 1 6 1 . . 1 1 3 3 U H3 H . . . 1 1 11 11 A H2 H . . . . . 1.8 1.8 5.0 . . . . . A . 3 U H3 . . A . 11 A H2 . . . 3 . H3 . . . . . 11 . H2 . . rr_1i4b 1 7 1 . . 1 1 4 4 G H1 H . . . 1 1 10 10 C H41 H . . . . . 1.8 1.8 5.0 . . . . . A . 4 G H1 . . A . 10 C H41 . . . 4 . H1 . . . . . 10 . H41 . . rr_1i4b 1 8 1 . . 1 1 4 4 G H1 H . . . 1 1 10 10 C H42 H . . . . . 1.8 1.8 5.0 . . . . . A . 4 G H1 . . A . 10 C H42 . . . 4 . H1 . . . . . 10 . H42 . . rr_1i4b 1 9 1 . . 1 1 4 4 G H1 H . . . 1 1 5 5 C H41 H . . . . . 1.8 1.8 5.0 . . . . . A . 4 G H1 . . A . 5 C H41 . . . 4 . H1 . . . . . 5 . H41 . . rr_1i4b 1 10 1 . . 1 1 9 9 G H1 H . . . 1 1 10 10 C H41 H . . . . . 1.8 1.8 5.0 . . . . . A . 9 G H1 . . A . 10 C H41 . . . 9 . H1 . . . . . 10 . H41 . . rr_1i4b 1 11 1 . . 1 1 9 9 G H1 H . . . 1 1 5 5 C H41 H . . . . . 1.8 1.8 5.0 . . . . . A . 9 G H1 . . A . 5 C H41 . . . 9 . H1 . . . . . 5 . H41 . . rr_1i4b 1 12 1 . . 1 1 9 9 G H1 H . . . 1 1 5 5 C H42 H . . . . . 1.8 1.8 5.0 . . . . . A . 9 G H1 . . A . 5 C H42 . . . 9 . H1 . . . . . 5 . H42 . . rr_1i4b 1 13 1 . . 1 1 1 1 G H1' H . . . 1 1 1 1 G H2' H . . . . . 1.8 1.8 3.2 . . . . . A . 1 G H1' . . A . 1 G H2' . . . 1 . H1' . . . . . 1 . H2'' . . rr_1i4b 1 14 1 . . 1 1 1 1 G H1' H . . . 1 1 1 1 G H8 H . . . . . 2.5 2.5 5.0 . . . . . A . 1 G H1' . . A . 1 G H8 . . . 1 . H1' . . . . . 1 . H8 . . rr_1i4b 1 15 1 . . 1 1 1 1 G H2' H . . . 1 1 1 1 G H8 H . . . . . 2.0 2.0 4.0 . . . . . A . 1 G H2' . . A . 1 G H8 . . . 1 . H2'' . . . . . 1 . H8 . . rr_1i4b 1 16 1 . . 1 1 1 1 G H8 H . . . 1 1 1 1 G H3' H . . . . . 2.5 2.5 5.0 . . . . . A . 1 G H8 . . A . 1 G H3' . . . 1 . H8 . . . . . 1 . H3' . . rr_1i4b 1 17 1 . . 1 1 1 1 G H8 H . . . 1 1 2 2 G H8 H . . . . . 3.0 3.0 7.0 . . . . . A . 1 G H8 . . A . 2 G H8 . . . 1 . H8 . . . . . 2 . H8 . . rr_1i4b 1 18 1 . . 1 1 1 1 G H8 H . . . 1 1 1 1 G H4' H . . . . . 2.5 2.5 5.0 . . . . . A . 1 G H8 . . A . 1 G H4' . . . 1 . H8 . . . . . 1 . H4' . . rr_1i4b 1 19 1 . . 1 1 2 2 G H1' H . . . 1 1 2 2 G H2' H . . . . . 1.8 1.8 3.2 . . . . . A . 2 G H1' . . A . 2 G H2' . . . 2 . H1' . . . . . 2 . H2'' . . rr_1i4b 1 20 1 . . 1 1 2 2 G H1' H . . . 1 1 3 3 U H5 H . . . . . 3.0 3.0 7.0 . . . . . A . 2 G H1' . . A . 3 U H5 . . . 2 . H1' . . . . . 3 . H5 . . rr_1i4b 1 21 1 . . 1 1 1 1 G H1' H . . . 1 1 2 2 G H8 H . . . . . 2.5 2.5 5.0 . . . . . A . 1 G H1' . . A . 2 G H8 . . . 1 . H1' . . . . . 2 . H8 . . rr_1i4b 1 22 1 . . 1 1 2 2 G H8 H . . . 1 1 2 2 G H1' H . . . . . 2.5 2.5 5.0 . . . . . A . 2 G H8 . . A . 2 G H1' . . . 2 . H8 . . . . . 2 . H1' . . rr_1i4b 1 23 1 . . 1 1 1 1 G H2' H . . . 1 1 2 2 G H8 H . . . . . 1.8 1.8 3.2 . . . . . A . 1 G H2' . . A . 2 G H8 . . . 1 . H2'' . . . . . 2 . H8 . . rr_1i4b 1 24 1 . . 1 1 1 1 G H3' H . . . 1 1 2 2 G H8 H . . . . . 3.0 3.0 7.0 . . . . . A . 1 G H3' . . A . 2 G H8 . . . 1 . H3' . . . . . 2 . H8 . . rr_1i4b 1 25 1 . . 1 1 2 2 G H8 H . . . 1 1 2 2 G H3' H . . . . . 2.0 2.0 4.0 . . . . . A . 2 G H8 . . A . 2 G H3' . . . 2 . H8 . . . . . 2 . H3' . . rr_1i4b 1 26 1 . . 1 1 2 2 G H8 H . . . 1 1 3 3 U H6 H . . . . . 3.0 3.0 7.0 . . . . . A . 2 G H8 . . A . 3 U H6 . . . 2 . H8 . . . . . 3 . H6 . . rr_1i4b 1 27 1 . . 1 1 2 2 G H8 H . . . 1 1 3 3 U H5 H . . . . . 3.0 3.0 7.0 . . . . . A . 2 G H8 . . A . 3 U H5 . . . 2 . H8 . . . . . 3 . H5 . . rr_1i4b 1 28 1 . . 1 1 2 2 G H8 H . . . 1 1 2 2 G H4' H . . . . . 3.0 3.0 7.0 . . . . . A . 2 G H8 . . A . 2 G H4' . . . 2 . H8 . . . . . 2 . H4' . . rr_1i4b 1 29 1 . . 1 1 3 3 U H1' H . . . 1 1 3 3 U H2' H . . . . . 1.8 1.8 3.2 . . . . . A . 3 U H1' . . A . 3 U H2' . . . 3 . H1' . . . . . 3 . H2'' . . rr_1i4b 1 30 1 . . 1 1 2 2 G H1' H . . . 1 1 3 3 U H6 H . . . . . 2.5 2.5 5.0 . . . . . A . 2 G H1' . . A . 3 U H6 . . . 2 . H1' . . . . . 3 . H6 . . rr_1i4b 1 31 1 . . 1 1 3 3 U H6 H . . . 1 1 3 3 U H1' H . . . . . 2.5 2.5 5.0 . . . . . A . 3 U H6 . . A . 3 U H1' . . . 3 . H6 . . . . . 3 . H1' . . rr_1i4b 1 32 1 . . 1 1 2 2 G H2' H . . . 1 1 3 3 U H6 H . . . . . 1.8 1.8 3.2 . . . . . A . 2 G H2' . . A . 3 U H6 . . . 2 . H2'' . . . . . 3 . H6 . . rr_1i4b 1 33 1 . . 1 1 3 3 U H6 H . . . 1 1 3 3 U H2' H . . . . . 2.0 2.0 4.0 . . . . . A . 3 U H6 . . A . 3 U H2' . . . 3 . H6 . . . . . 3 . H2'' . . rr_1i4b 1 34 1 . . 1 1 3 3 U H5 H . . . 1 1 3 3 U H6 H . . . . . 1.8 1.8 3.2 . . . . . A . 3 U H5 . . A . 3 U H6 . . . 3 . H5 . . . . . 3 . H6 . . rr_1i4b 1 35 1 . . 1 1 3 3 U H6 H . . . 1 1 4 4 G H8 H . . . . . 3.0 3.0 7.0 . . . . . A . 3 U H6 . . A . 4 G H8 . . . 3 . H6 . . . . . 4 . H8 . . rr_1i4b 1 36 1 . . 1 1 3 3 U H6 H . . . 1 1 3 3 U H3' H . . . . . 2.0 2.0 4.0 . . . . . A . 3 U H6 . . A . 3 U H3' . . . 3 . H6 . . . . . 3 . H3' . . rr_1i4b 1 37 1 . . 1 1 4 4 G H1' H . . . 1 1 4 4 G H2' H . . . . . 1.8 1.8 3.2 . . . . . A . 4 G H1' . . A . 4 G H2' . . . 4 . H1' . . . . . 4 . H2'' . . rr_1i4b 1 38 1 . . 1 1 4 4 G H8 H . . . 1 1 4 4 G H1' H . . . . . 2.5 2.5 5.0 . . . . . A . 4 G H8 . . A . 4 G H1' . . . 4 . H8 . . . . . 4 . H1' . . rr_1i4b 1 39 1 . . 1 1 3 3 U H1' H . . . 1 1 4 4 G H8 H . . . . . 2.5 2.5 5.0 . . . . . A . 3 U H1' . . A . 4 G H8 . . . 3 . H1' . . . . . 4 . H8 . . rr_1i4b 1 40 1 . . 1 1 3 3 U H2' H . . . 1 1 4 4 G H8 H . . . . . 1.8 1.8 3.2 . . . . . A . 3 U H2' . . A . 4 G H8 . . . 3 . H2'' . . . . . 4 . H8 . . rr_1i4b 1 41 1 . . 1 1 4 4 G H8 H . . . 1 1 3 3 U H3' H . . . . . 2.5 2.5 5.0 . . . . . A . 4 G H8 . . A . 3 U H3' . . . 4 . H8 . . . . . 3 . H3' . . rr_1i4b 1 42 1 . . 1 1 4 4 G H8 H . . . 1 1 4 4 G H2' H . . . . . 2.5 2.5 5.0 . . . . . A . 4 G H8 . . A . 4 G H2' . . . 4 . H8 . . . . . 4 . H2'' . . rr_1i4b 1 43 1 . . 1 1 4 4 G H8 H . . . 1 1 4 4 G H3' H . . . . . 2.0 2.0 4.0 . . . . . A . 4 G H8 . . A . 4 G H3' . . . 4 . H8 . . . . . 4 . H3' . . rr_1i4b 1 44 1 . . 1 1 4 4 G H8 H . . . 1 1 5 5 C H6 H . . . . . 3.0 3.0 7.0 . . . . . A . 4 G H8 . . A . 5 C H6 . . . 4 . H8 . . . . . 5 . H6 . . rr_1i4b 1 45 1 . . 1 1 5 5 C H1' H . . . 1 1 5 5 C H2' H . . . . . 2.0 2.0 4.0 . . . . . A . 5 C H1' . . A . 5 C H2' . . . 5 . H1' . . . . . 5 . H2'' . . rr_1i4b 1 46 1 . . 1 1 4 4 G H2' H . . . 1 1 5 5 C H1' H . . . . . 3.0 3.0 7.0 . . . . . A . 4 G H2' . . A . 5 C H1' . . . 4 . H2'' . . . . . 5 . H1' . . rr_1i4b 1 47 1 . . 1 1 4 4 G H2' H . . . 1 1 5 5 C H5 H . . . . . 2.5 2.5 5.0 . . . . . A . 4 G H2' . . A . 5 C H5 . . . 4 . H2'' . . . . . 5 . H5 . . rr_1i4b 1 48 1 . . 1 1 4 4 G H3' H . . . 1 1 5 5 C H5 H . . . . . 2.5 2.5 5.0 . . . . . A . 4 G H3' . . A . 5 C H5 . . . 4 . H3' . . . . . 5 . H5 . . rr_1i4b 1 49 1 . . 1 1 5 5 C H6 H . . . 1 1 5 5 C H5 H . . . . . 1.8 1.8 3.2 . . . . . A . 5 C H6 . . A . 5 C H5 . . . 5 . H6 . . . . . 5 . H5 . . rr_1i4b 1 50 1 . . 1 1 4 4 G H2' H . . . 1 1 5 5 C H6 H . . . . . 1.8 1.8 3.2 . . . . . A . 4 G H2' . . A . 5 C H6 . . . 4 . H2'' . . . . . 5 . H6 . . rr_1i4b 1 51 1 . . 1 1 5 5 C H6 H . . . 1 1 5 5 C H2' H . . . . . 1.8 1.8 3.2 . . . . . A . 5 C H6 . . A . 5 C H2' . . . 5 . H6 . . . . . 5 . H2'' . . rr_1i4b 1 52 1 . . 1 1 4 4 G H1' H . . . 1 1 5 5 C H6 H . . . . . 2.5 2.5 5.0 . . . . . A . 4 G H1' . . A . 5 C H6 . . . 4 . H1' . . . . . 5 . H6 . . rr_1i4b 1 53 1 . . 1 1 4 4 G H3' H . . . 1 1 5 5 C H6 H . . . . . 2.5 2.5 5.0 . . . . . A . 4 G H3' . . A . 5 C H6 . . . 4 . H3' . . . . . 5 . H6 . . rr_1i4b 1 54 1 . . 1 1 5 5 C H6 H . . . 1 1 5 5 C H3' H . . . . . 2.0 2.0 4.0 . . . . . A . 5 C H6 . . A . 5 C H3' . . . 5 . H6 . . . . . 5 . H3' . . rr_1i4b 1 55 1 . . 1 1 5 5 C H6 H . . . 1 1 5 5 C H1' H . . . . . 2.5 2.5 5.0 . . . . . A . 5 C H6 . . A . 5 C H1' . . . 5 . H6 . . . . . 5 . H1' . . rr_1i4b 1 56 1 . . 1 1 5 5 C H6 H . . . 1 1 6 6 U H6 H . . . . . 3.0 3.0 7.0 . . . . . A . 5 C H6 . . A . 6 U H6 . . . 5 . H6 . . . . . 6 . H6 . . rr_1i4b 1 57 1 . . 1 1 5 5 C H6 H . . . 1 1 5 5 C H4' H . . . . . 2.5 2.5 5.0 . . . . . A . 5 C H6 . . A . 5 C H4' . . . 5 . H6 . . . . . 5 . H4' . . rr_1i4b 1 58 1 . . 1 1 6 6 U H1' H . . . 1 1 6 6 U H2' H . . . . . 2.0 2.0 4.0 . . . . . A . 6 U H1' . . A . 6 U H2' . . . 6 . H1' . . . . . 6 . H2'' . . rr_1i4b 1 59 1 . . 1 1 5 5 C H1' H . . . 1 1 6 6 U H6 H . . . . . 2.5 2.5 5.0 . . . . . A . 5 C H1' . . A . 6 U H6 . . . 5 . H1' . . . . . 6 . H6 . . rr_1i4b 1 60 1 . . 1 1 5 5 C H2' H . . . 1 1 6 6 U H6 H . . . . . 2.0 2.0 4.0 . . . . . A . 5 C H2' . . A . 6 U H6 . . . 5 . H2'' . . . . . 6 . H6 . . rr_1i4b 1 61 1 . . 1 1 5 5 C H3' H . . . 1 1 6 6 U H6 H . . . . . 2.5 2.5 5.0 . . . . . A . 5 C H3' . . A . 6 U H6 . . . 5 . H3' . . . . . 6 . H6 . . rr_1i4b 1 62 1 . . 1 1 6 6 U H6 H . . . 1 1 6 6 U H5 H . . . . . 1.8 1.8 3.2 . . . . . A . 6 U H6 . . A . 6 U H5 . . . 6 . H6 . . . . . 6 . H5 . . rr_1i4b 1 63 1 . . 1 1 6 6 U H6 H . . . 1 1 6 6 U H2' H . . . . . 1.8 1.8 3.2 . . . . . A . 6 U H6 . . A . 6 U H2' . . . 6 . H6 . . . . . 6 . H2'' . . rr_1i4b 1 64 1 . . 1 1 6 6 U H6 H . . . 1 1 6 6 U H3' H . . . . . 2.5 2.5 5.0 . . . . . A . 6 U H6 . . A . 6 U H3' . . . 6 . H6 . . . . . 6 . H3' . . rr_1i4b 1 65 1 . . 1 1 6 6 U H6 H . . . 1 1 6 6 U H1' H . . . . . 2.5 2.5 5.0 . . . . . A . 6 U H6 . . A . 6 U H1' . . . 6 . H6 . . . . . 6 . H1' . . rr_1i4b 1 66 1 . . 1 1 6 6 U H6 H . . . 1 1 6 6 U H4' H . . . . . 2.5 2.5 5.0 . . . . . A . 6 U H6 . . A . 6 U H4' . . . 6 . H6 . . . . . 6 . H4' . . rr_1i4b 1 67 1 . . 1 1 6 6 U H2' H . . . 1 1 6 6 U H5 H . . . . . 2.5 2.5 5.0 . . . . . A . 6 U H2' . . A . 6 U H5 . . . 6 . H2'' . . . . . 6 . H5 . . rr_1i4b 1 68 1 . . 1 1 6 6 U H5 H . . . 1 1 6 6 U H3' H . . . . . 3.0 3.0 7.0 . . . . . A . 6 U H5 . . A . 6 U H3' . . . 6 . H5 . . . . . 6 . H3' . . rr_1i4b 1 69 1 . . 1 1 7 7 U H1' H . . . 1 1 7 7 U H2' H . . . . . 2.5 2.5 5.0 . . . . . A . 7 U H1' . . A . 7 U H2' . . . 7 . H1' . . . . . 7 . H2'' . . rr_1i4b 1 70 1 . . 1 1 7 7 U H1' H . . . 1 1 7 7 U H3' H . . . . . 2.5 2.5 5.0 . . . . . A . 7 U H1' . . A . 7 U H3' . . . 7 . H1' . . . . . 7 . H3' . . rr_1i4b 1 71 1 . . 1 1 7 7 U H1' H . . . 1 1 7 7 U H4' H . . . . . 2.5 2.5 5.0 . . . . . A . 7 U H1' . . A . 7 U H4' . . . 7 . H1' . . . . . 7 . H4' . . rr_1i4b 1 72 1 . . 1 1 7 7 U H6 H . . . 1 1 7 7 U H5 H . . . . . 1.8 1.8 3.2 . . . . . A . 7 U H6 . . A . 7 U H5 . . . 7 . H6 . . . . . 7 . H5 . . rr_1i4b 1 73 1 . . 1 1 7 7 U H2' H . . . 1 1 7 7 U H6 H . . . . . 1.8 1.8 3.2 . . . . . A . 7 U H2' . . A . 7 U H6 . . . 7 . H2'' . . . . . 7 . H6 . . rr_1i4b 1 74 1 . . 1 1 7 7 U H1' H . . . 1 1 7 7 U H6 H . . . . . 2.5 2.5 5.0 . . . . . A . 7 U H1' . . A . 7 U H6 . . . 7 . H1' . . . . . 7 . H6 . . rr_1i4b 1 75 1 . . 1 1 6 6 U H1' H . . . 1 1 7 7 U H6 H . . . . . 3.0 3.0 7.0 . . . . . A . 6 U H1' . . A . 7 U H6 . . . 6 . H1' . . . . . 7 . H6 . . rr_1i4b 1 76 1 . . 1 1 6 6 U H2' H . . . 1 1 7 7 U H6 H . . . . . 3.0 3.0 7.0 . . . . . A . 6 U H2' . . A . 7 U H6 . . . 6 . H2'' . . . . . 7 . H6 . . rr_1i4b 1 77 1 . . 1 1 6 6 U H3' H . . . 1 1 7 7 U H6 H . . . . . 3.0 3.0 7.0 . . . . . A . 6 U H3' . . A . 7 U H6 . . . 6 . H3' . . . . . 7 . H6 . . rr_1i4b 1 78 1 . . 1 1 6 6 U H4' H . . . 1 1 7 7 U H5 H . . . . . 2.5 2.5 5.0 . . . . . A . 6 U H4' . . A . 7 U H5 . . . 6 . H4' . . . . . 7 . H5 . . rr_1i4b 1 79 1 . . 1 1 7 7 U H2' H . . . 1 1 7 7 U H5 H . . . . . 2.5 2.5 5.0 . . . . . A . 7 U H2' . . A . 7 U H5 . . . 7 . H2'' . . . . . 7 . H5 . . rr_1i4b 1 80 1 . . 1 1 7 7 U H3' H . . . 1 1 7 7 U H6 H . . . . . 2.5 2.5 5.0 . . . . . A . 7 U H3' . . A . 7 U H6 . . . 7 . H3' . . . . . 7 . H6 . . rr_1i4b 1 81 1 . . 1 1 7 7 U H4' H . . . 1 1 7 7 U H6 H . . . . . 2.5 2.5 5.0 . . . . . A . 7 U H4' . . A . 7 U H6 . . . 7 . H4' . . . . . 7 . H6 . . rr_1i4b 1 82 1 . . 1 1 7 7 U H6 H . . . 1 1 7 7 U H5' H . . . . . 3.0 3.0 7.0 . . . . . A . 7 U H6 . . A . 7 U H5' . . . 7 . H6 . . . . . 7 . H5' . . rr_1i4b 1 83 1 . . 1 1 8 8 A H1' H . . . 1 1 8 8 A H2' H . . . . . 2.0 2.0 4.0 . . . . . A . 8 A H1' . . A . 8 A H2' . . . 8 . H1' . . . . . 8 . H2'' . . rr_1i4b 1 84 1 . . 1 1 8 8 A H1' H . . . 1 1 8 8 A H8 H . . . . . 2.5 2.5 5.0 . . . . . A . 8 A H1' . . A . 8 A H8 . . . 8 . H1' . . . . . 8 . H8 . . rr_1i4b 1 85 1 . . 1 1 8 8 A H2' H . . . 1 1 8 8 A H8 H . . . . . 2.0 2.0 4.0 . . . . . A . 8 A H2' . . A . 8 A H8 . . . 8 . H2'' . . . . . 8 . H8 . . rr_1i4b 1 86 1 . . 1 1 8 8 A H8 H . . . 1 1 8 8 A H3' H . . . . . 2.0 2.0 4.0 . . . . . A . 8 A H8 . . A . 8 A H3' . . . 8 . H8 . . . . . 8 . H3' . . rr_1i4b 1 87 1 . . 1 1 8 8 A H8 H . . . 1 1 8 8 A H5'' H . . . . . 3.0 3.0 7.0 . . . . . A . 8 A H8 . . A . 8 A H5'' . . . 8 . H8 . . . . . 8 . H5'' . . rr_1i4b 1 88 1 . . 1 1 8 8 A H8 H . . . 1 1 8 8 A H5' H . . . . . 3.0 3.0 7.0 . . . . . A . 8 A H8 . . A . 8 A H5' . . . 8 . H8 . . . . . 8 . H5' . . rr_1i4b 1 89 1 . . 1 1 8 8 A H8 H . . . 1 1 8 8 A H4' H . . . . . 3.0 3.0 7.0 . . . . . A . 8 A H8 . . A . 8 A H4' . . . 8 . H8 . . . . . 8 . H4' . . rr_1i4b 1 90 1 . . 1 1 7 7 U H4' H . . . 1 1 8 8 A H8 H . . . . . 3.0 3.0 7.0 . . . . . A . 7 U H4' . . A . 8 A H8 . . . 7 . H4' . . . . . 8 . H8 . . rr_1i4b 1 91 1 . . 1 1 7 7 U H3' H . . . 1 1 8 8 A H2 H . . . . . 2.5 2.5 5.0 . . . . . A . 7 U H3' . . A . 8 A H2 . . . 7 . H3' . . . . . 8 . H2 . . rr_1i4b 1 92 1 . . 1 1 6 6 U H3' H . . . 1 1 8 8 A H2 H . . . . . 2.5 2.5 5.0 . . . . . A . 6 U H3' . . A . 8 A H2 . . . 6 . H3' . . . . . 8 . H2 . . rr_1i4b 1 93 1 . . 1 1 7 7 U H4' H . . . 1 1 8 8 A H2 H . . . . . 2.5 2.5 5.0 . . . . . A . 7 U H4' . . A . 8 A H2 . . . 7 . H4' . . . . . 8 . H2 . . rr_1i4b 1 94 1 . . 1 1 7 7 U H5' H . . . 1 1 8 8 A H2 H . . . . . 2.0 2.0 4.0 . . . . . A . 7 U H5' . . A . 8 A H2 . . . 7 . H5' . . . . . 8 . H2 . . rr_1i4b 1 95 1 . . 1 1 5 5 C H1' H . . . 1 1 8 8 A H2 H . . . . . 2.5 2.5 5.0 . . . . . A . 5 C H1' . . A . 8 A H2 . . . 5 . H1' . . . . . 8 . H2 . . rr_1i4b 1 96 1 . . 1 1 5 5 C H2' H . . . 1 1 8 8 A H2 H . . . . . 2.0 2.0 4.0 . . . . . A . 5 C H2' . . A . 8 A H2 . . . 5 . H2'' . . . . . 8 . H2 . . rr_1i4b 1 97 1 . . 1 1 8 8 A H1' H . . . 1 1 8 8 A H2 H . . . . . 3.0 3.0 7.0 . . . . . A . 8 A H1' . . A . 8 A H2 . . . 8 . H1' . . . . . 8 . H2 . . rr_1i4b 1 98 1 . . 1 1 9 9 G H1' H . . . 1 1 9 9 G H2' H . . . . . 2.5 2.5 5.0 . . . . . A . 9 G H1' . . A . 9 G H2' . . . 9 . H1' . . . . . 9 . H2'' . . rr_1i4b 1 99 1 . . 1 1 9 9 G H1' H . . . 1 1 9 9 G H3' H . . . . . 3.0 3.0 7.0 . . . . . A . 9 G H1' . . A . 9 G H3' . . . 9 . H1' . . . . . 9 . H3' . . rr_1i4b 1 100 1 . . 1 1 9 9 G H1' H . . . 1 1 9 9 G H4' H . . . . . 2.5 2.5 5.0 . . . . . A . 9 G H1' . . A . 9 G H4' . . . 9 . H1' . . . . . 9 . H4' . . rr_1i4b 1 101 1 . . 1 1 8 8 A H2' H . . . 1 1 9 9 G H1' H . . . . . 3.0 3.0 7.0 . . . . . A . 8 A H2' . . A . 9 G H1' . . . 8 . H2'' . . . . . 9 . H1' . . rr_1i4b 1 102 1 . . 1 1 7 7 U H1' H . . . 1 1 9 9 G H1' H . . . . . 3.0 3.0 7.0 . . . . . A . 7 U H1' . . A . 9 G H1' . . . 7 . H1' . . . . . 9 . H1' . . rr_1i4b 1 103 1 . . 1 1 7 7 U H5 H . . . 1 1 9 9 G H1' H . . . . . 2.5 2.5 5.0 . . . . . A . 7 U H5 . . A . 9 G H1' . . . 7 . H5 . . . . . 9 . H1' . . rr_1i4b 1 104 1 . . 1 1 9 9 G H1' H . . . 1 1 9 9 G H8 H . . . . . 2.5 2.5 5.0 . . . . . A . 9 G H1' . . A . 9 G H8 . . . 9 . H1' . . . . . 9 . H8 . . rr_1i4b 1 105 1 . . 1 1 9 9 G H2' H . . . 1 1 9 9 G H8 H . . . . . 2.0 2.0 4.0 . . . . . A . 9 G H2' . . A . 9 G H8 . . . 9 . H2'' . . . . . 9 . H8 . . rr_1i4b 1 106 1 . . 1 1 9 9 G H3' H . . . 1 1 9 9 G H8 H . . . . . 2.5 2.5 5.0 . . . . . A . 9 G H3' . . A . 9 G H8 . . . 9 . H3' . . . . . 9 . H8 . . rr_1i4b 1 107 1 . . 1 1 9 9 G H4' H . . . 1 1 9 9 G H8 H . . . . . 3.0 3.0 7.0 . . . . . A . 9 G H4' . . A . 9 G H8 . . . 9 . H4' . . . . . 9 . H8 . . rr_1i4b 1 108 1 . . 1 1 9 9 G H8 H . . . 1 1 10 10 C H5 H . . . . . 3.0 3.0 7.0 . . . . . A . 9 G H8 . . A . 10 C H5 . . . 9 . H8 . . . . . 10 . H5 . . rr_1i4b 1 109 1 . . 1 1 9 9 G H8 H . . . 1 1 10 10 C H6 H . . . . . 3.0 3.0 7.0 . . . . . A . 9 G H8 . . A . 10 C H6 . . . 9 . H8 . . . . . 10 . H6 . . rr_1i4b 1 110 1 . . 1 1 9 9 G H8 H . . . 1 1 9 9 G H5' H . . . . . 2.5 2.5 5.0 . . . . . A . 9 G H8 . . A . 9 G H5' . . . 9 . H8 . . . . . 9 . H5' . . rr_1i4b 1 111 1 . . 1 1 9 9 G H8 H . . . 1 1 9 9 G H5'' H . . . . . 2.5 2.5 5.0 . . . . . A . 9 G H8 . . A . 9 G H5'' . . . 9 . H8 . . . . . 9 . H5'' . . rr_1i4b 1 112 1 . . 1 1 8 8 A H4' H . . . 1 1 9 9 G H8 H . . . . . 3.0 3.0 7.0 . . . . . A . 8 A H4' . . A . 9 G H8 . . . 8 . H4' . . . . . 9 . H8 . . rr_1i4b 1 113 1 . . 1 1 10 10 C H1' H . . . 1 1 10 10 C H2' H . . . . . 1.8 1.8 3.2 . . . . . A . 10 C H1' . . A . 10 C H2' . . . 10 . H1' . . . . . 10 . H2'' . . rr_1i4b 1 114 1 . . 1 1 10 10 C H5 H . . . 1 1 10 10 C H1' H . . . . . 3.0 3.0 7.0 . . . . . A . 10 C H5 . . A . 10 C H1' . . . 10 . H5 . . . . . 10 . H1' . . rr_1i4b 1 115 1 . . 1 1 9 9 G H2' H . . . 1 1 10 10 C H5 H . . . . . 3.0 3.0 7.0 . . . . . A . 9 G H2' . . A . 10 C H5 . . . 9 . H2'' . . . . . 10 . H5 . . rr_1i4b 1 116 1 . . 1 1 10 10 C H5 H . . . 1 1 11 11 A H2' H . . . . . 3.0 3.0 7.0 . . . . . A . 10 C H5 . . A . 11 A H2' . . . 10 . H5 . . . . . 11 . H2'' . . rr_1i4b 1 117 1 . . 1 1 10 10 C H5 H . . . 1 1 10 10 C H6 H . . . . . 1.8 1.8 3.2 . . . . . A . 10 C H5 . . A . 10 C H6 . . . 10 . H5 . . . . . 10 . H6 . . rr_1i4b 1 118 1 . . 1 1 9 9 G H1' H . . . 1 1 10 10 C H6 H . . . . . 2.5 2.5 5.0 . . . . . A . 9 G H1' . . A . 10 C H6 . . . 9 . H1' . . . . . 10 . H6 . . rr_1i4b 1 119 1 . . 1 1 9 9 G H2' H . . . 1 1 10 10 C H6 H . . . . . 2.5 2.5 5.0 . . . . . A . 9 G H2' . . A . 10 C H6 . . . 9 . H2'' . . . . . 10 . H6 . . rr_1i4b 1 120 1 . . 1 1 9 9 G H4' H . . . 1 1 10 10 C H6 H . . . . . 2.5 2.5 5.0 . . . . . A . 9 G H4' . . A . 10 C H6 . . . 9 . H4' . . . . . 10 . H6 . . rr_1i4b 1 121 1 . . 1 1 10 10 C H6 H . . . 1 1 9 9 G H5' H . . . . . 3.0 3.0 7.0 . . . . . A . 10 C H6 . . A . 9 G H5' . . . 10 . H6 . . . . . 9 . H5' . . rr_1i4b 1 122 1 . . 1 1 10 10 C H6 H . . . 1 1 9 9 G H5'' H . . . . . 3.0 3.0 7.0 . . . . . A . 10 C H6 . . A . 9 G H5'' . . . 10 . H6 . . . . . 9 . H5'' . . rr_1i4b 1 123 1 . . 1 1 10 10 C H6 H . . . 1 1 10 10 C H1' H . . . . . 2.5 2.5 5.0 . . . . . A . 10 C H6 . . A . 10 C H1' . . . 10 . H6 . . . . . 10 . H1' . . rr_1i4b 1 124 1 . . 1 1 10 10 C H6 H . . . 1 1 10 10 C H2' H . . . . . 2.0 2.0 4.0 . . . . . A . 10 C H6 . . A . 10 C H2' . . . 10 . H6 . . . . . 10 . H2'' . . rr_1i4b 1 125 1 . . 1 1 10 10 C H6 H . . . 1 1 10 10 C H3' H . . . . . 2.0 2.0 4.0 . . . . . A . 10 C H6 . . A . 10 C H3' . . . 10 . H6 . . . . . 10 . H3' . . rr_1i4b 1 126 1 . . 1 1 11 11 A H2' H . . . 1 1 11 11 A H1' H . . . . . 1.8 1.8 3.2 . . . . . A . 11 A H2' . . A . 11 A H1' . . . 11 . H2'' . . . . . 11 . H1' . . rr_1i4b 1 127 1 . . 1 1 11 11 A H1' H . . . 1 1 12 12 C H5 H . . . . . 3.0 3.0 7.0 . . . . . A . 11 A H1' . . A . 12 C H5 . . . 11 . H1' . . . . . 12 . H5 . . rr_1i4b 1 128 1 . . 1 1 11 11 A H1' H . . . 1 1 11 11 A H8 H . . . . . 2.5 2.5 5.0 . . . . . A . 11 A H1' . . A . 11 A H8 . . . 11 . H1' . . . . . 11 . H8 . . rr_1i4b 1 129 1 . . 1 1 11 11 A H2' H . . . 1 1 11 11 A H8 H . . . . . 1.8 1.8 3.2 . . . . . A . 11 A H2' . . A . 11 A H8 . . . 11 . H2'' . . . . . 11 . H8 . . rr_1i4b 1 130 1 . . 1 1 11 11 A H8 H . . . 1 1 11 11 A H3' H . . . . . 2.0 2.0 4.0 . . . . . A . 11 A H8 . . A . 11 A H3' . . . 11 . H8 . . . . . 11 . H3' . . rr_1i4b 1 131 1 . . 1 1 11 11 A H8 H . . . 1 1 11 11 A H4' H . . . . . 3.0 3.0 7.0 . . . . . A . 11 A H8 . . A . 11 A H4' . . . 11 . H8 . . . . . 11 . H4' . . rr_1i4b 1 132 1 . . 1 1 10 10 C H1' H . . . 1 1 11 11 A H8 H . . . . . 2.5 2.5 5.0 . . . . . A . 10 C H1' . . A . 11 A H8 . . . 10 . H1' . . . . . 11 . H8 . . rr_1i4b 1 133 1 . . 1 1 10 10 C H2' H . . . 1 1 11 11 A H8 H . . . . . 1.8 1.8 3.2 . . . . . A . 10 C H2' . . A . 11 A H8 . . . 10 . H2'' . . . . . 11 . H8 . . rr_1i4b 1 134 1 . . 1 1 10 10 C H6 H . . . 1 1 11 11 A H8 H . . . . . 3.0 3.0 7.0 . . . . . A . 10 C H6 . . A . 11 A H8 . . . 10 . H6 . . . . . 11 . H8 . . rr_1i4b 1 135 1 . . 1 1 11 11 A H2 H . . . 1 1 4 4 G H1' H . . . . . 2.5 2.5 5.0 . . . . . A . 11 A H2 . . A . 4 G H1' . . . 11 . H2 . . . . . 4 . H1' . . rr_1i4b 1 136 1 . . 1 1 11 11 A H2 H . . . 1 1 4 4 G H3' H . . . . . 3.0 3.0 7.0 . . . . . A . 11 A H2 . . A . 4 G H3' . . . 11 . H2 . . . . . 4 . H3' . . rr_1i4b 1 137 1 . . 1 1 11 11 A H2 H . . . 1 1 4 4 G H4' H . . . . . 3.0 3.0 7.0 . . . . . A . 11 A H2 . . A . 4 G H4' . . . 11 . H2 . . . . . 4 . H4' . . rr_1i4b 1 138 1 . . 1 1 11 11 A H2 H . . . 1 1 12 12 C H1' H . . . . . 2.5 2.5 5.0 . . . . . A . 11 A H2 . . A . 12 C H1' . . . 11 . H2 . . . . . 12 . H1' . . rr_1i4b 1 139 1 . . 1 1 11 11 A H2 H . . . 1 1 12 12 C H2' H . . . . . 3.0 3.0 7.0 . . . . . A . 11 A H2 . . A . 12 C H2' . . . 11 . H2 . . . . . 12 . H2'' . . rr_1i4b 1 140 1 . . 1 1 11 11 A H2 H . . . 1 1 11 11 A H1' H . . . . . 3.0 3.0 7.0 . . . . . A . 11 A H2 . . A . 11 A H1' . . . 11 . H2 . . . . . 11 . H1' . . rr_1i4b 1 141 1 . . 1 1 12 12 C H1' H . . . 1 1 12 12 C H2' H . . . . . 1.8 1.8 3.2 . . . . . A . 12 C H1' . . A . 12 C H2' . . . 12 . H1' . . . . . 12 . H2'' . . rr_1i4b 1 142 1 . . 1 1 12 12 C H5 H . . . 1 1 12 12 C H6 H . . . . . 1.8 1.8 3.2 . . . . . A . 12 C H5 . . A . 12 C H6 . . . 12 . H5 . . . . . 12 . H6 . . rr_1i4b 1 143 1 . . 1 1 11 11 A H8 H . . . 1 1 12 12 C H6 H . . . . . 3.0 3.0 7.0 . . . . . A . 11 A H8 . . A . 12 C H6 . . . 11 . H8 . . . . . 12 . H6 . . rr_1i4b 1 144 1 . . 1 1 11 11 A H1' H . . . 1 1 12 12 C H6 H . . . . . 2.5 2.5 5.0 . . . . . A . 11 A H1' . . A . 12 C H6 . . . 11 . H1' . . . . . 12 . H6 . . rr_1i4b 1 145 1 . . 1 1 11 11 A H2' H . . . 1 1 12 12 C H6 H . . . . . 1.8 1.8 3.2 . . . . . A . 11 A H2' . . A . 12 C H6 . . . 11 . H2'' . . . . . 12 . H6 . . rr_1i4b 1 146 1 . . 1 1 12 12 C H1' H . . . 1 1 12 12 C H6 H . . . . . 2.5 2.5 5.0 . . . . . A . 12 C H1' . . A . 12 C H6 . . . 12 . H1' . . . . . 12 . H6 . . rr_1i4b 1 147 1 . . 1 1 12 12 C H6 H . . . 1 1 12 12 C H2' H . . . . . 2.5 2.5 5.0 . . . . . A . 12 C H6 . . A . 12 C H2' . . . 12 . H6 . . . . . 12 . H2' . . rr_1i4b 1 148 1 . . 1 1 12 12 C H6 H . . . 1 1 12 12 C H3' H . . . . . 2.0 2.0 4.0 . . . . . A . 12 C H6 . . A . 12 C H3' . . . 12 . H6 . . . . . 12 . H3' . . rr_1i4b 1 149 1 . . 1 1 12 12 C H6 H . . . 1 1 12 12 C H4' H . . . . . 3.0 3.0 7.0 . . . . . A . 12 C H6 . . A . 12 C H4' . . . 12 . H6 . . . . . 12 . H4' . . rr_1i4b 1 150 1 . . 1 1 13 13 C H6 H . . . 1 1 13 13 C H5 H . . . . . 1.8 1.8 3.2 . . . . . A . 13 C H6 . . A . 13 C H5 . . . 13 . H6 . . . . . 13 . H5 . . rr_1i4b 1 151 1 . . 1 1 12 12 C H6 H . . . 1 1 13 13 C H6 H . . . . . 3.0 3.0 7.0 . . . . . A . 12 C H6 . . A . 13 C H6 . . . 12 . H6 . . . . . 13 . H6 . . rr_1i4b 1 152 1 . . 1 1 13 13 C H1' H . . . 1 1 13 13 C H2' H . . . . . 1.8 1.8 3.2 . . . . . A . 13 C H1' . . A . 13 C H2' . . . 13 . H1' . . . . . 13 . H2'' . . rr_1i4b 1 153 1 . . 1 1 12 12 C H2' H . . . 1 1 13 13 C H6 H . . . . . 1.8 1.8 3.2 . . . . . A . 12 C H2' . . A . 13 C H6 . . . 12 . H2'' . . . . . 13 . H6 . . rr_1i4b 1 154 1 . . 1 1 12 12 C H1' H . . . 1 1 13 13 C H6 H . . . . . 2.5 2.5 5.0 . . . . . A . 12 C H1' . . A . 13 C H6 . . . 12 . H1' . . . . . 13 . H6 . . rr_1i4b 1 155 1 . . 1 1 13 13 C H6 H . . . 1 1 13 13 C H1' H . . . . . 2.5 2.5 5.0 . . . . . A . 13 C H6 . . A . 13 C H1' . . . 13 . H6 . . . . . 13 . H1' . . rr_1i4b 1 156 1 . . 1 1 13 13 C H6 H . . . 1 1 13 13 C H2' H . . . . . 2.0 2.0 4.0 . . . . . A . 13 C H6 . . A . 13 C H2' . . . 13 . H6 . . . . . 13 . H2'' . . rr_1i4b 1 157 1 . . 1 1 13 13 C H6 H . . . 1 1 13 13 C H3' H . . . . . 2.0 2.0 4.0 . . . . . A . 13 C H6 . . A . 13 C H3' . . . 13 . H6 . . . . . 13 . H3' . . rr_1i4b 1 158 1 . . 1 1 12 12 C H3' H . . . 1 1 13 13 C H6 H . . . . . 2.5 2.5 5.0 . . . . . A . 12 C H3' . . A . 13 C H6 . . . 12 . H3' . . . . . 13 . H6 . . rr_1i4b 1 159 1 . . 1 1 13 13 C H6 H . . . 1 1 13 13 C H4' H . . . . . 3.0 3.0 7.0 . . . . . A . 13 C H6 . . A . 13 C H4' . . . 13 . H6 . . . . . 13 . H4' . . rr_1i4b 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 'DISTANCE RESTRICTIONS FOR EXCHANGEABLE PROTONS FROM THE H2O NOESY' 1 1 1 1 rr_1i4b 1 2 'from 200ms H2O NOESY at 20c and 300ms H2O NOESY at 10c' 3 1 3 1 rr_1i4b 1 3 'imino proton to imino proton' 5 1 5 1 rr_1i4b 1 4 'imino proton to amino proton A h2 proton aromatic proton, or' 10 1 10 1 rr_1i4b 1 5 'Total 10' 22 1 22 1 rr_1i4b 1 6 'Distance restriction for nonexchangeable protons from D2O NOESY' 25 1 25 1 rr_1i4b 1 7 G1 27 1 27 1 rr_1i4b 1 8 G2 36 1 36 1 rr_1i4b 1 9 U3 49 1 49 1 rr_1i4b 1 10 G4 60 1 60 1 rr_1i4b 1 11 C5 71 1 71 1 rr_1i4b 1 12 U6 87 1 87 1 rr_1i4b 1 13 U7 100 1 100 1 rr_1i4b 1 14 A8 117 1 117 1 rr_1i4b 1 15 G9 134 1 134 1 rr_1i4b 1 16 C10 151 1 151 1 rr_1i4b 1 17 A11 166 1 166 1 rr_1i4b 1 18 C12 184 1 184 1 rr_1i4b 1 19 C13 196 1 196 1 rr_1i4b 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_1i4b _Gen_dist_constraint_list.ID 1 _Gen_dist_constraint_list.Constraint_type 'hydrogen bond' _Gen_dist_constraint_list.Details 'Generated by Wattos' _Gen_dist_constraint_list.Constraint_file_ID 1 _Gen_dist_constraint_list.Block_ID 2 loop_ _Gen_dist_constraint_software.Software_ID _Gen_dist_constraint_software.Software_label _Gen_dist_constraint_software.Method_ID _Gen_dist_constraint_software.Method_label _Gen_dist_constraint_software.Entry_ID _Gen_dist_constraint_software.Gen_dist_constraint_list_ID . . . . rr_1i4b 2 stop_ loop_ _Gen_dist_constraint.ID _Gen_dist_constraint.Member_ID _Gen_dist_constraint.Member_logic_code _Gen_dist_constraint.Assembly_atom_ID_1 _Gen_dist_constraint.Entity_assembly_ID_1 _Gen_dist_constraint.Entity_ID_1 _Gen_dist_constraint.Comp_index_ID_1 _Gen_dist_constraint.Seq_ID_1 _Gen_dist_constraint.Comp_ID_1 _Gen_dist_constraint.Atom_ID_1 _Gen_dist_constraint.Atom_type_1 _Gen_dist_constraint.Atom_isotope_number_1 _Gen_dist_constraint.Resonance_ID_1 _Gen_dist_constraint.Assembly_atom_ID_2 _Gen_dist_constraint.Entity_assembly_ID_2 _Gen_dist_constraint.Entity_ID_2 _Gen_dist_constraint.Comp_index_ID_2 _Gen_dist_constraint.Seq_ID_2 _Gen_dist_constraint.Comp_ID_2 _Gen_dist_constraint.Atom_ID_2 _Gen_dist_constraint.Atom_type_2 _Gen_dist_constraint.Atom_isotope_number_2 _Gen_dist_constraint.Resonance_ID_2 _Gen_dist_constraint.Intensity_val _Gen_dist_constraint.Intensity_lower_val_err _Gen_dist_constraint.Intensity_upper_val_err _Gen_dist_constraint.Distance_val _Gen_dist_constraint.Distance_lower_bound_val _Gen_dist_constraint.Distance_upper_bound_val _Gen_dist_constraint.Contribution_fractional_val _Gen_dist_constraint.Spectral_peak_ID _Gen_dist_constraint.Spectral_peak_list_ID _Gen_dist_constraint.PDB_record_ID_1 _Gen_dist_constraint.PDB_model_num_1 _Gen_dist_constraint.PDB_strand_ID_1 _Gen_dist_constraint.PDB_ins_code_1 _Gen_dist_constraint.PDB_residue_no_1 _Gen_dist_constraint.PDB_residue_name_1 _Gen_dist_constraint.PDB_atom_name_1 _Gen_dist_constraint.PDB_record_ID_2 _Gen_dist_constraint.PDB_model_num_2 _Gen_dist_constraint.PDB_strand_ID_2 _Gen_dist_constraint.PDB_ins_code_2 _Gen_dist_constraint.PDB_residue_no_2 _Gen_dist_constraint.PDB_residue_name_2 _Gen_dist_constraint.PDB_atom_name_2 _Gen_dist_constraint.Auth_entity_assembly_ID_1 _Gen_dist_constraint.Auth_asym_ID_1 _Gen_dist_constraint.Auth_chain_ID_1 _Gen_dist_constraint.Auth_seq_ID_1 _Gen_dist_constraint.Auth_comp_ID_1 _Gen_dist_constraint.Auth_atom_ID_1 _Gen_dist_constraint.Auth_alt_ID_1 _Gen_dist_constraint.Auth_atom_name_1 _Gen_dist_constraint.Auth_entity_assembly_ID_2 _Gen_dist_constraint.Auth_asym_ID_2 _Gen_dist_constraint.Auth_chain_ID_2 _Gen_dist_constraint.Auth_seq_ID_2 _Gen_dist_constraint.Auth_comp_ID_2 _Gen_dist_constraint.Auth_atom_ID_2 _Gen_dist_constraint.Auth_alt_ID_2 _Gen_dist_constraint.Auth_atom_name_2 _Gen_dist_constraint.Entry_ID _Gen_dist_constraint.Gen_dist_constraint_list_ID 1 1 . . 1 1 13 13 C H41 H . . . 1 1 1 1 G O6 O . . . . . 1.7 1.6 1.8 . . . . . A . 13 C H41 . . A . 1 G O6 . . . 13 . H41 . . . . . 1 . O6 . . rr_1i4b 2 2 1 . . 1 1 13 13 C N3 N . . . 1 1 1 1 G H21 H . . . . . 3.0 2.9 3.1 . . . . . A . 13 C N3 . . A . 1 G H21 . . . 13 . N3 . . . . . 1 . H21 . . rr_1i4b 2 3 1 . . 1 1 1 1 G H21 H . . . 1 1 13 13 C O2 O . . . . . 2.0 1.9 2.1 . . . . . A . 1 G H21 . . A . 13 C O2 . . . 1 . H21 . . . . . 13 . O2 . . rr_1i4b 2 4 1 . . 1 1 13 13 C N3 N . . . 1 1 1 1 G H1 H . . . . . 1.9 1.8 2.0 . . . . . A . 13 C N3 . . A . 1 G H1 . . . 13 . N3 . . . . . 1 . H1 . . rr_1i4b 2 5 1 . . 1 1 12 12 C H41 H . . . 1 1 2 2 G O6 O . . . . . 1.7 1.6 1.8 . . . . . A . 12 C H41 . . A . 2 G O6 . . . 12 . H41 . . . . . 2 . O6 . . rr_1i4b 2 6 1 . . 1 1 12 12 C N3 N . . . 1 1 2 2 G H21 H . . . . . 3.0 2.9 3.1 . . . . . A . 12 C N3 . . A . 2 G H21 . . . 12 . N3 . . . . . 2 . H21 . . rr_1i4b 2 7 1 . . 1 1 2 2 G H21 H . . . 1 1 12 12 C O2 O . . . . . 2.0 1.9 2.1 . . . . . A . 2 G H21 . . A . 12 C O2 . . . 2 . H21 . . . . . 12 . O2 . . rr_1i4b 2 8 1 . . 1 1 2 2 G H1 H . . . 1 1 12 12 C N3 N . . . . . 1.9 1.8 2.0 . . . . . A . 2 G H1 . . A . 12 C N3 . . . 2 . H1 . . . . . 12 . N3 . . rr_1i4b 2 9 1 . . 1 1 11 11 A H2 H . . . 1 1 3 3 U O2 O . . . . . 3.2 3.1 3.3 . . . . . A . 11 A H2 . . A . 3 U O2 . . . 11 . H2 . . . . . 3 . O2 . . rr_1i4b 2 10 1 . . 1 1 3 3 U H3 H . . . 1 1 11 11 A N1 N . . . . . 1.9 1.8 2.0 . . . . . A . 3 U H3 . . A . 11 A N1 . . . 3 . H3 . . . . . 11 . N1 . . rr_1i4b 2 11 1 . . 1 1 11 11 A H61 H . . . 1 1 3 3 U O4 O . . . . . 1.8 1.7 1.9 . . . . . A . 11 A H61 . . A . 3 U O4 . . . 11 . H61 . . . . . 3 . O4 . . rr_1i4b 2 12 1 . . 1 1 3 3 U H3 H . . . 1 1 11 11 A H2 H . . . . . 2.9 2.8 3.0 . . . . . A . 3 U H3 . . A . 11 A H2 . . . 3 . H3 . . . . . 11 . H2 . . rr_1i4b 2 13 1 . . 1 1 10 10 C H41 H . . . 1 1 4 4 G O6 O . . . . . 1.7 1.6 1.8 . . . . . A . 10 C H41 . . A . 4 G O6 . . . 10 . H41 . . . . . 4 . O6 . . rr_1i4b 2 14 1 . . 1 1 10 10 C N3 N . . . 1 1 4 4 G H21 H . . . . . 3.0 2.9 3.1 . . . . . A . 10 C N3 . . A . 4 G H21 . . . 10 . N3 . . . . . 4 . H21 . . rr_1i4b 2 15 1 . . 1 1 4 4 G H21 H . . . 1 1 10 10 C O2 O . . . . . 2.0 1.9 2.1 . . . . . A . 4 G H21 . . A . 10 C O2 . . . 4 . H21 . . . . . 10 . O2 . . rr_1i4b 2 16 1 . . 1 1 4 4 G H1 H . . . 1 1 10 10 C N3 N . . . . . 1.9 1.8 2.0 . . . . . A . 4 G H1 . . A . 10 C N3 . . . 4 . H1 . . . . . 10 . N3 . . rr_1i4b 2 17 1 . . 1 1 5 5 C H41 H . . . 1 1 9 9 G O6 O . . . . . 1.7 1.6 1.8 . . . . . A . 5 C H41 . . A . 9 G O6 . . . 5 . H41 . . . . . 9 . O6 . . rr_1i4b 2 18 1 . . 1 1 5 5 C N3 N . . . 1 1 9 9 G H21 H . . . . . 3.0 2.9 3.1 . . . . . A . 5 C N3 . . A . 9 G H21 . . . 5 . N3 . . . . . 9 . H21 . . rr_1i4b 2 19 1 . . 1 1 9 9 G H21 H . . . 1 1 5 5 C O2 O . . . . . 2.0 1.9 2.1 . . . . . A . 9 G H21 . . A . 5 C O2 . . . 9 . H21 . . . . . 5 . O2 . . rr_1i4b 2 20 1 . . 1 1 9 9 G H1 H . . . 1 1 5 5 C N3 N . . . . . 1.9 1.8 2.0 . . . . . A . 9 G H1 . . A . 5 C N3 . . . 9 . H1 . . . . . 5 . N3 . . rr_1i4b 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 'BASE PAIRING - based on standard H-bond distances' 1 1 1 1 rr_1i4b 2 2 'base pair G1-C13' 3 2 3 2 rr_1i4b 2 3 'base pair G2-C12' 9 2 9 2 rr_1i4b 2 4 'base pairing U3-A11' 15 7 15 7 rr_1i4b 2 5 'base pair G4-C10' 21 9 21 9 rr_1i4b 2 6 'base pair C5-G9' 27 3 27 3 rr_1i4b 2 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_1i4b _Org_constr_file_comment.ID 1 _Org_constr_file_comment.Constraint_file_ID 1 _Org_constr_file_comment.Block_ID 1 _Org_constr_file_comment.Details 'Generated by Wattos' _Org_constr_file_comment.Comment ; *HEADER RNA 20-FEB-01 1I4B *TITLE THE SOLUTION STRUCTURE OF THE MAJOR FAMILY OF THE MUTANT *TITLE 2 STEM LOOP C 5'UUA3' TRILOOP OF BROME MOSAIC VIRUS (+) *TITLE 3 STRAND RNA *COMPND MOL_ID: 1; *COMPND 2 MOLECULE: 5'-R(*GP*GP*UP*GP*CP*UP*UP*AP*GP*CP*AP*CP*C)-3'; *COMPND 3 CHAIN: A; *COMPND 4 ENGINEERED: YES; *COMPND 5 OTHER_DETAILS: THE MAJOR STRUCTURAL FAMILY OF 5'UUA3' *COMPND 6 MUTANT TRILOOP. *SOURCE MOL_ID: 1; *SOURCE 2 SYNTHETIC: YES; *SOURCE 3 OTHER_DETAILS: THIS SEQUENCE IS A MUTANT TRILOOP OF WHICH *SOURCE 4 WILD TYPE SEQUENCE IS NATURALLY OCCURED IN BMV (+) STRAND *SOURCE 5 RNA *KEYWDS RNA, TRILOOP, STEM-LOOP, MUTANT, REPLICATION, BMV, NMR *EXPDTA NMR, MINIMIZED STRUCTURE *AUTHOR I.TINOCO JR., C.-H.KIM *REVDAT 1 21-APR-01 1I4B 0 {slc13uua.noe} {Renovado con correcciones estupidas y 2.5,0,2.5 en 6,6,6,2 y 9,3,8,4 el 5-10-98} {Corregido en h2', o2' y h2'' el 5-11-98: ultimas correcciones 5-18-98} {Corregido a de nuevo con w50, 100 y 150 y noed25500.mat 11-26-98; es decir,} {corresponde a restricciones de distancia de P5 obtenidas from scratch} ; save_