data_nef_c19873_2mn0 save_entry_information _nef_nmr_meta_data.sf_category nef_nmr_meta_data _nef_nmr_meta_data.sf_framecode entry_information _nef_nmr_meta_data.format_name nmr_exchange_format _nef_nmr_meta_data.format_version 1.1 loop_ _nef_related_entries.database_name _nef_related_entries.database_accession_code PDB 2MN0 stop_ save_ save_assembly _nef_molecular_system.sf_category nef_molecular_system _nef_molecular_system.sf_framecode assembly loop_ _nef_covalent_links.chain_code_1 _nef_covalent_links.sequence_code_1 _nef_covalent_links.residue_name_1 _nef_covalent_links.atom_name_1 _nef_covalent_links.chain_code_2 _nef_covalent_links.sequence_code_2 _nef_covalent_links.residue_name_2 _nef_covalent_links.atom_name_2 1 6 G O3' 1 7 H2U P 1 7 H2U O3' 1 8 G P stop_ loop_ _nef_sequence.index _nef_sequence.chain_code _nef_sequence.sequence_code _nef_sequence.residue_name _nef_sequence.linking _nef_sequence.residue_variant _nef_sequence.cis_peptide 1 A 1 G start . . 2 A 2 G middle . . 3 A 3 A middle . . 4 A 4 G middle . . 5 A 5 A middle . . 6 A 6 G middle . . 7 A 7 H2U middle . . 8 A 8 G middle . . 9 A 9 G middle . . 10 A 10 A middle . . 11 A 11 A middle . . 12 A 12 C middle . . 13 A 13 U middle . . 14 A 14 C middle . . 15 A 15 C end . . stop_ save_ save_assigned_chem_shift_list_1 _nef_chemical_shift_list.sf_category nef_chemical_shift_list _nef_chemical_shift_list.sf_framecode assigned_chem_shift_list_1 loop_ _nef_chemical_shift.chain_code _nef_chemical_shift.sequence_code _nef_chemical_shift.residue_name _nef_chemical_shift.atom_name _nef_chemical_shift.element _nef_chemical_shift.isotope_number _nef_chemical_shift.value _nef_chemical_shift.value_uncertainty A 1 G H2' H 1 4.761 0.02 A 1 G H3' H 1 4.436 0.02 A 1 G H4' H 1 4.209 0.02 A 1 G H5' H 1 3.891 0.02 A 1 G H5'' H 1 3.802 0.02 A 1 G H8 H 1 7.847 0.02 A 1 G C2' C 13 72.339 0.30 A 1 G C3' C 13 71.154 0.30 A 1 G C4' C 13 81.690 0.30 A 1 G C5' C 13 59.630 0.30 A 1 G C8 C 13 135.790 0.30 A 2 G H1' H 1 5.785 0.02 A 2 G H2' H 1 4.574 0.02 A 2 G H3' H 1 4.449 0.02 A 2 G H4' H 1 4.415 0.02 A 2 G H5' H 1 4.469 0.02 A 2 G H5'' H 1 4.069 0.02 A 2 G H8 H 1 7.373 0.02 A 2 G C1' C 13 90.160 0.30 A 2 G C2' C 13 72.684 0.30 A 2 G C3' C 13 71.204 0.30 A 2 G C5' C 13 62.240 0.30 A 2 G C8 C 13 133.790 0.30 A 3 A H1' H 1 5.860 0.02 A 3 A H2 H 1 7.310 0.02 A 3 A H2' H 1 4.533 0.02 A 3 A H3' H 1 4.562 0.02 A 3 A H4' H 1 4.422 0.02 A 3 A H8 H 1 7.585 0.02 A 3 A C1' C 13 90.210 0.30 A 3 A C2 C 13 150.380 0.30 A 3 A C2' C 13 72.915 0.30 A 3 A C3' C 13 69.872 0.30 A 3 A C4' C 13 79.262 0.30 A 3 A C8 C 13 136.340 0.30 A 4 G H1' H 1 5.469 0.02 A 4 G H2' H 1 4.277 0.02 A 4 G H3' H 1 4.363 0.02 A 4 G H4' H 1 4.363 0.02 A 4 G H5' H 1 4.372 0.02 A 4 G H5'' H 1 3.964 0.02 A 4 G H8 H 1 6.922 0.02 A 4 G C1' C 13 89.939 0.30 A 4 G C2' C 13 72.892 0.30 A 4 G C3' C 13 70.064 0.30 A 4 G C4' C 13 79.640 0.30 A 4 G C5' C 13 62.844 0.30 A 4 G C8 C 13 133.092 0.30 A 5 A H1' H 1 5.690 0.02 A 5 A H2 H 1 7.908 0.02 A 5 A H2' H 1 4.283 0.02 A 5 A H3' H 1 4.559 0.02 A 5 A H4' H 1 4.313 0.02 A 5 A H5' H 1 4.026 0.02 A 5 A H5'' H 1 4.286 0.02 A 5 A H8 H 1 7.698 0.02 A 5 A C1' C 13 89.240 0.30 A 5 A C2 C 13 152.378 0.30 A 5 A C2' C 13 73.173 0.30 A 5 A C3' C 13 71.082 0.30 A 5 A C4' C 13 80.293 0.30 A 5 A C5' C 13 62.663 0.30 A 5 A C8 C 13 136.828 0.30 A 6 G H1' H 1 5.428 0.02 A 6 G H2' H 1 4.441 0.02 A 6 G H3' H 1 4.556 0.02 A 6 G H4' H 1 4.266 0.02 A 6 G H5' H 1 4.218 0.02 A 6 G H5'' H 1 3.991 0.02 A 6 G H8 H 1 7.522 0.02 A 6 G C1' C 13 87.428 0.30 A 6 G C2' C 13 72.632 0.30 A 6 G C3' C 13 73.439 0.30 A 6 G C4' C 13 81.840 0.30 A 6 G C5' C 13 63.940 0.30 A 6 G C8 C 13 136.142 0.30 A 7 H2U H1' H 1 5.587 0.02 A 7 H2U H2' H 1 3.978 0.02 A 7 H2U H3' H 1 4.265 0.02 A 7 H2U H4' H 1 4.021 0.02 A 7 H2U H5' H 1 3.758 0.02 A 7 H2U H5'' H 1 3.685 0.02 A 7 H2U H5x H 1 2.450 0.02 A 7 H2U H6x H 1 3.233 0.02 A 7 H2U C1' C 13 86.007 0.30 A 7 H2U C2' C 13 69.138 0.30 A 7 H2U C3' C 13 74.946 0.30 A 7 H2U C4' C 13 81.380 0.30 A 7 H2U C5' C 13 65.310 0.30 A 8 G H1' H 1 5.494 0.02 A 8 G H2' H 1 4.619 0.02 A 8 G H3' H 1 4.644 0.02 A 8 G H4' H 1 4.134 0.02 A 8 G H5' H 1 3.897 0.02 A 8 G H8 H 1 7.661 0.02 A 8 G C1' C 13 82.254 0.30 A 8 G C2' C 13 72.559 0.30 A 8 G C3' C 13 74.588 0.30 A 8 G C4' C 13 82.360 0.30 A 8 G C5' C 13 65.110 0.30 A 8 G C8 C 13 137.241 0.30 A 9 G H1' H 1 5.594 0.02 A 9 G H2' H 1 4.682 0.02 A 9 G H3' H 1 4.728 0.02 A 9 G H4' H 1 4.386 0.02 A 9 G H5' H 1 4.128 0.02 A 9 G H5'' H 1 4.035 0.02 A 9 G H8 H 1 7.803 0.02 A 9 G C1' C 13 87.414 0.30 A 9 G C2' C 13 72.605 0.30 A 9 G C3' C 13 74.449 0.30 A 9 G C4' C 13 82.348 0.30 A 9 G C5' C 13 65.260 0.30 A 9 G C8 C 13 139.040 0.30 A 10 A H1' H 1 5.773 0.02 A 10 A H2 H 1 7.770 0.02 A 10 A H2' H 1 4.720 0.02 A 10 A H3' H 1 4.554 0.02 A 10 A H4' H 1 4.413 0.02 A 10 A H5' H 1 4.243 0.02 A 10 A H5'' H 1 4.144 0.02 A 10 A H8 H 1 8.119 0.02 A 10 A C1' C 13 87.873 0.30 A 10 A C2 C 13 151.280 0.30 A 10 A C2' C 13 73.771 0.30 A 10 A C3' C 13 73.274 0.30 A 10 A C4' C 13 82.053 0.30 A 10 A C5' C 13 64.260 0.30 A 10 A C8 C 13 138.629 0.30 A 11 A H1' H 1 5.848 0.02 A 11 A H2 H 1 8.053 0.02 A 11 A H2' H 1 4.715 0.02 A 11 A H3' H 1 4.529 0.02 A 11 A H4' H 1 4.557 0.02 A 11 A H5' H 1 4.325 0.02 A 11 A H5'' H 1 4.165 0.02 A 11 A H8 H 1 8.172 0.02 A 11 A C1' C 13 87.848 0.30 A 11 A C2 C 13 152.453 0.30 A 11 A C2' C 13 73.305 0.30 A 11 A C3' C 13 69.925 0.30 A 11 A C4' C 13 81.627 0.30 A 11 A C5' C 13 64.600 0.30 A 11 A C8 C 13 138.002 0.30 A 12 C H1' H 1 5.166 0.02 A 12 C H2' H 1 4.266 0.02 A 12 C H3' H 1 4.358 0.02 A 12 C H4' H 1 4.316 0.02 A 12 C H5 H 1 5.700 0.02 A 12 C H5' H 1 4.286 0.02 A 12 C H5'' H 1 4.074 0.02 A 12 C H6 H 1 7.697 0.02 A 12 C C1' C 13 91.630 0.30 A 12 C C2' C 13 72.388 0.30 A 12 C C3' C 13 70.334 0.30 A 12 C C4' C 13 79.420 0.30 A 12 C C5 C 13 95.550 0.30 A 12 C C5' C 13 62.670 0.30 A 12 C C6 C 13 136.620 0.30 A 13 U H1' H 1 5.433 0.02 A 13 U H2' H 1 4.413 0.02 A 13 U H3' H 1 4.476 0.02 A 13 U H4' H 1 4.359 0.02 A 13 U H5 H 1 5.350 0.02 A 13 U H5' H 1 4.474 0.02 A 13 U H5'' H 1 4.016 0.02 A 13 U H6 H 1 7.904 0.02 A 13 U C1' C 13 91.043 0.30 A 13 U C2' C 13 72.376 0.30 A 13 U C3' C 13 69.322 0.30 A 13 U C4' C 13 79.349 0.30 A 13 U C5 C 13 100.340 0.30 A 13 U C5' C 13 61.570 0.30 A 13 U C6 C 13 135.654 0.30 A 14 C H1' H 1 5.478 0.02 A 14 C H2' H 1 4.132 0.02 A 14 C H3' H 1 4.393 0.02 A 14 C H4' H 1 4.331 0.02 A 14 C H5 H 1 5.570 0.02 A 14 C H5' H 1 4.458 0.02 A 14 C H5'' H 1 3.987 0.02 A 14 C H6 H 1 7.901 0.02 A 14 C C1' C 13 91.388 0.30 A 14 C C2' C 13 69.386 0.30 A 14 C C3' C 13 72.917 0.30 A 14 C C4' C 13 79.101 0.30 A 14 C C5 C 13 94.510 0.30 A 14 C C5' C 13 61.977 0.30 A 14 C C6 C 13 139.663 0.30 A 15 C H1' H 1 5.588 0.02 A 15 C H2' H 1 3.926 0.02 A 15 C H3' H 1 3.982 0.02 A 15 C H4' H 1 4.067 0.02 A 15 C H5 H 1 5.389 0.02 A 15 C H5' H 1 4.446 0.02 A 15 C H5'' H 1 3.931 0.02 A 15 C H6 H 1 7.555 0.02 A 15 C C1' C 13 90.128 0.30 A 15 C C2' C 13 74.670 0.30 A 15 C C3' C 13 69.131 0.30 A 15 C C4' C 13 80.570 0.30 A 15 C C5 C 13 95.289 0.30 A 15 C C5' C 13 62.310 0.30 A 15 C C6 C 13 138.975 0.30 stop_ save_ save_CNS/XPLOR_distance_constraints_2 _nef_distance_restraint_list.sf_category nef_distance_restraint_list _nef_distance_restraint_list.sf_framecode CNS/XPLOR_distance_constraints_2 _nef_distance_restraint_list.restraint_origin noe _nef_distance_restraint_list.potential_type square-well-parabolic loop_ _nef_distance_restraint.index _nef_distance_restraint.restraint_id _nef_distance_restraint.chain_code_1 _nef_distance_restraint.sequence_code_1 _nef_distance_restraint.residue_name_1 _nef_distance_restraint.atom_name_1 _nef_distance_restraint.chain_code_2 _nef_distance_restraint.sequence_code_2 _nef_distance_restraint.residue_name_2 _nef_distance_restraint.atom_name_2 _nef_distance_restraint.weight _nef_distance_restraint.lower_limit _nef_distance_restraint.upper_limit 1 1 A 3 A N1 A 13 U N3 1.0 2.75 3.15 2 2 A 3 A N6 A 13 U O4 1.0 2.63 3.03 3 3 A 3 A N1 A 13 U H3 1.0 1.73 2.13 4 4 A 13 U O4 A 3 A H6y 1.0 1.62 2.02 5 4 A 13 U O4 A 3 A H6x 1.0 1.62 2.02 6 5 A 1 G H1 A 15 C N3 1.0 1.69 2.09 7 6 A 15 C N3 A 1 G N1 1.0 2.71 3.11 8 7 A 15 C O2 A 1 G H2y 1.0 1.88 2.28 9 7 A 1 G H2x A 15 C O2 1.0 1.88 2.28 10 8 A 15 C O2 A 1 G N2 1.0 2.88 3.28 11 9 A 1 G O6 A 15 C N4 1.0 2.52 2.92 12 10 A 1 G O6 A 15 C H4y 1.0 1.51 1.91 13 10 A 1 G O6 A 15 C H4x 1.0 1.51 1.91 14 11 A 2 G H1 A 14 C N3 1.0 1.69 2.09 15 12 A 14 C N3 A 2 G N1 1.0 2.71 3.11 16 13 A 14 C O2 A 2 G H2y 1.0 1.88 2.28 17 13 A 2 G H2x A 14 C O2 1.0 1.88 2.28 18 14 A 14 C O2 A 2 G N2 1.0 2.88 3.28 19 15 A 2 G O6 A 14 C N4 1.0 2.52 2.92 20 16 A 2 G O6 A 14 C H4y 1.0 1.51 1.91 21 16 A 2 G O6 A 14 C H4x 1.0 1.51 1.91 22 17 A 4 G H1 A 12 C N3 1.0 1.69 2.09 23 18 A 12 C N3 A 4 G N1 1.0 2.71 3.11 24 19 A 12 C O2 A 4 G H2y 1.0 1.88 2.28 25 19 A 4 G H2x A 12 C O2 1.0 1.88 2.28 26 20 A 12 C O2 A 4 G N2 1.0 2.88 3.28 27 21 A 4 G O6 A 12 C N4 1.0 2.52 2.92 28 22 A 4 G O6 A 12 C H4y 1.0 1.51 1.91 29 22 A 4 G O6 A 12 C H4x 1.0 1.51 1.91 30 23 A 13 U H3 A 13 U H1' 1.0 4.00 6.00 31 24 A 13 U H3 A 14 C H5 1.0 4.00 6.00 32 25 A 13 U H3 A 3 A H2 1.0 2.80 4.20 33 26 A 13 U H3 A 4 G H1 1.0 4.00 6.00 34 27 A 13 U H3 A 2 G H1 1.0 4.00 6.00 35 28 A 4 G H1 A 12 C H4y 1.0 2.00 3.00 36 29 A 4 G H1 A 12 C H4x 1.0 2.80 4.20 37 30 A 4 G H1 A 11 A H2 1.0 4.00 6.00 38 31 A 4 G H1 A 12 C H5 1.0 4.00 6.00 39 32 A 4 G H1 A 12 C H1' 1.0 4.00 6.00 40 33 A 2 G H1 A 14 C H4y 1.0 2.00 3.00 41 34 A 2 G H1 A 12 C H4x 1.0 2.80 4.20 42 35 A 2 G H1 A 3 A H2 1.0 4.00 6.00 43 36 A 15 C H4x A 14 C H5 1.0 2.40 3.60 44 37 A 11 A H2 A 12 C H1' 1.0 4.00 6.00 45 38 A 10 A H2 A 11 A H1' 1.0 4.00 6.00 stop_ save_ save_CNS/XPLOR_distance_constraints_4 _nef_distance_restraint_list.sf_category nef_distance_restraint_list _nef_distance_restraint_list.sf_framecode CNS/XPLOR_distance_constraints_4 _nef_distance_restraint_list.restraint_origin noe _nef_distance_restraint_list.potential_type square-well-parabolic loop_ _nef_distance_restraint.index _nef_distance_restraint.restraint_id _nef_distance_restraint.chain_code_1 _nef_distance_restraint.sequence_code_1 _nef_distance_restraint.residue_name_1 _nef_distance_restraint.atom_name_1 _nef_distance_restraint.chain_code_2 _nef_distance_restraint.sequence_code_2 _nef_distance_restraint.residue_name_2 _nef_distance_restraint.atom_name_2 _nef_distance_restraint.weight _nef_distance_restraint.lower_limit _nef_distance_restraint.upper_limit 1 1 A 2 G H1' A 3 A H8 1.0 1.5 5.3 2 2 A 3 A H1' A 4 G H8 1.0 1.5 5.3 3 3 A 4 G H1' A 5 A H8 1.0 1.5 5.3 4 4 A 5 A H1' A 6 G H8 1.0 1.5 6.0 5 5 A 7 H2U H1' A 8 G H8 1.0 1.5 6.0 6 6 A 8 G H1' A 9 G H8 1.0 1.5 5.3 7 7 A 9 G H1' A 10 A H8 1.0 1.5 5.3 8 8 A 10 A H1' A 11 A H8 1.0 1.5 5.3 9 9 A 11 A H1' A 12 C H6 1.0 1.5 6.0 10 10 A 12 C H1' A 13 U H6 1.0 1.5 5.3 11 11 A 13 U H1' A 14 C H6 1.0 1.5 5.3 12 12 A 14 C H1' A 15 C H6 1.0 1.5 5.3 13 13 A 1 G H2' A 2 G H8 1.0 1.5 3.0 14 14 A 3 A H8 A 2 G H2' 1.0 1.5 3.0 15 15 A 4 G H8 A 3 A H2' 1.0 1.5 3.0 16 16 A 5 A H8 A 4 G H2' 1.0 1.5 3.0 17 17 A 6 G H8 A 5 A H2' 1.0 1.5 4.2 18 18 A 8 G H8 A 7 H2U H2' 1.0 1.5 5.4 19 19 A 9 G H8 A 8 G H2' 1.0 1.5 5.4 20 20 A 12 C H6 A 11 A H2' 1.0 1.5 4.2 21 21 A 13 U H6 A 12 C H2' 1.0 1.5 3.0 22 22 A 14 C H6 A 13 U H2' 1.0 1.5 3.0 23 23 A 15 C H6 A 14 C H2' 1.0 1.5 3.0 24 24 A 12 C H5 A 11 A H2' 1.0 1.5 5.4 25 25 A 12 C H2' A 13 U H5 1.0 1.5 4.2 26 26 A 14 C H5 A 13 U H2' 1.0 1.5 4.2 27 27 A 14 C H2' A 15 C H5 1.0 1.5 4.2 28 28 A 3 A H8 A 2 G H3' 1.0 1.5 4.2 29 29 A 4 G H8 A 3 A H3' 1.0 1.5 4.2 30 30 A 5 A H8 A 4 G H3' 1.0 1.5 4.2 31 31 A 8 G H8 A 7 H2U H3' 1.0 1.5 4.2 32 32 A 9 G H8 A 8 G H3' 1.0 1.5 4.2 33 33 A 11 A H8 A 10 A H3' 1.0 1.5 4.2 34 34 A 12 C H6 A 11 A H3' 1.0 1.5 4.2 35 35 A 13 U H6 A 12 C H3' 1.0 1.5 4.2 36 36 A 14 C H6 A 13 U H3' 1.0 1.5 4.2 37 37 A 15 C H6 A 14 C H3' 1.0 1.5 4.2 38 38 A 13 U H5 A 12 C H3' 1.0 1.5 4.2 39 39 A 14 C H5 A 13 U H3' 1.0 1.5 4.2 40 40 A 12 C H5 A 11 A H8 1.0 1.5 6.0 41 41 A 12 C H6 A 13 U H5 1.0 2.5 5.4 42 42 A 14 C H5 A 13 U H6 1.0 2.5 5.4 43 43 A 14 C H6 A 15 C H5 1.0 2.5 5.4 44 44 A 3 A H8 A 4 G H8 1.0 2.5 5.4 45 45 A 4 G H8 A 5 A H8 1.0 2.5 5.4 46 46 A 5 A H8 A 6 G H8 1.0 2.5 5.4 47 47 A 9 G H8 A 10 A H8 1.0 2.5 5.4 48 48 A 10 A H8 A 11 A H8 1.0 1.5 6.0 49 49 A 14 C H6 A 15 C H6 1.0 2.5 5.4 50 50 A 3 A H2 A 4 G H1' 1.0 1.5 4.2 51 51 A 10 A H2 A 11 A H1' 1.0 2.5 5.4 52 52 A 11 A H2 A 12 C H1' 1.0 2.5 5.4 53 53 A 13 U H1' A 3 A H2 1.0 1.5 6.0 54 54 A 11 A H2 A 10 A H2 1.0 2.5 5.4 55 55 A 11 A H2 A 5 A H2 1.0 2.5 5.4 56 56 A 2 G H2y A 15 C H1' 1.0 2.5 5.4 57 56 A 2 G H2x A 15 C H1' 1.0 2.5 5.4 58 57 A 2 G H1 A 14 C H5 1.0 2.5 5.4 59 58 A 2 G H1 A 3 A H2 1.0 1.5 6.0 60 59 A 2 G H1 A 3 A H1' 1.0 1.5 6.0 61 60 A 4 G H2y A 5 A H1' 1.0 2.5 5.4 62 60 A 4 G H2x A 5 A H1' 1.0 2.5 5.4 63 61 A 4 G H1 A 13 U H1' 1.0 1.5 6.0 64 62 A 13 U H3 A 4 G H1' 1.0 1.5 6.0 65 63 A 13 U H3 A 4 G H1 1.0 2.5 5.4 66 64 A 13 U H3 A 2 G H1 1.0 2.5 5.4 67 65 A 12 C H1' A 5 A H2 1.0 1.5 6.0 68 66 A 6 G H1' A 5 A H2 1.0 1.5 6.0 69 67 A 5 A H1' A 5 A H2 1.0 1.5 6.0 70 68 A 10 A H2 A 10 A H1' 1.0 1.5 6.0 71 69 A 11 A H2 A 11 A H1' 1.0 1.5 6.0 72 70 A 12 C H5 A 12 C H1' 1.0 1.5 6.0 73 71 A 13 U H1' A 13 U H5 1.0 1.5 6.0 74 72 A 14 C H5 A 14 C H1' 1.0 1.5 6.0 75 73 A 15 C H5 A 15 C H1' 1.0 1.5 6.0 76 74 A 11 A H1' A 11 A H8 1.0 1.7 4.4 77 75 A 12 C H1' A 12 C H6 1.0 1.5 5.3 78 76 A 13 U H1' A 13 U H6 1.0 1.7 4.4 79 77 A 14 C H6 A 14 C H1' 1.0 1.7 4.4 80 78 A 15 C H6 A 15 C H1' 1.0 1.7 4.4 81 79 A 2 G H1' A 2 G H8 1.0 1.7 4.4 82 80 A 3 A H8 A 3 A H1' 1.0 1.7 4.4 83 81 A 4 G H8 A 4 G H1' 1.0 1.7 4.4 84 82 A 5 A H8 A 5 A H1' 1.0 1.7 4.4 85 83 A 6 G H8 A 6 G H1' 1.0 1.7 4.4 86 84 A 8 G H8 A 8 G H1' 1.0 1.7 4.4 87 85 A 9 G H8 A 9 G H1' 1.0 1.7 4.4 88 86 A 10 A H8 A 10 A H1' 1.0 1.7 4.4 89 87 A 2 G H1' A 2 G H2' 1.0 1.5 3.0 90 88 A 3 A H1' A 3 A H2' 1.0 1.5 3.0 91 89 A 4 G H1' A 4 G H2' 1.0 1.5 3.0 92 90 A 5 A H1' A 5 A H2' 1.0 1.5 3.0 93 91 A 6 G H1' A 6 G H2' 1.0 1.7 4.4 94 92 A 7 H2U H1' A 7 H2U H2' 1.0 1.7 4.4 95 93 A 8 G H1' A 8 G H2' 1.0 1.7 4.4 96 94 A 9 G H1' A 9 G H2' 1.0 1.7 4.4 97 95 A 10 A H1' A 10 A H2' 1.0 1.7 4.4 98 96 A 11 A H1' A 11 A H2' 1.0 1.5 3.0 99 97 A 12 C H1' A 12 C H2' 1.0 1.5 3.0 100 98 A 13 U H1' A 13 U H2' 1.0 1.5 3.0 101 99 A 14 C H1' A 14 C H2' 1.0 1.5 3.0 102 100 A 15 C H1' A 15 C H2' 1.0 1.7 4.4 103 101 A 3 A H1' A 3 A H3' 1.0 1.7 4.4 104 102 A 5 A H1' A 5 A H3' 1.0 1.7 4.4 105 103 A 6 G H1' A 6 G H3' 1.0 1.5 5.3 106 104 A 7 H2U H1' A 7 H2U H3' 1.0 1.5 5.3 107 105 A 8 G H1' A 8 G H3' 1.0 1.7 4.4 108 106 A 9 G H1' A 9 G H3' 1.0 1.5 5.3 109 107 A 10 A H1' A 10 A H3' 1.0 1.5 5.3 110 108 A 11 A H1' A 11 A H3' 1.0 1.7 4.4 111 109 A 12 C H1' A 12 C H3' 1.0 1.7 4.4 112 110 A 13 U H1' A 13 U H3' 1.0 1.7 4.4 113 111 A 14 C H1' A 14 C H3' 1.0 1.7 4.4 114 112 A 15 C H1' A 15 C H3' 1.0 1.7 4.4 115 113 A 3 A H1' A 3 A H4' 1.0 1.5 5.3 116 114 A 5 A H1' A 5 A H4' 1.0 1.7 4.4 117 115 A 7 H2U H1' A 7 H2U H4' 1.0 1.7 4.4 118 116 A 9 G H1' A 9 G H4' 1.0 1.7 4.4 119 117 A 10 A H1' A 10 A H4' 1.0 1.7 4.4 120 118 A 11 A H1' A 11 A H4' 1.0 1.7 4.4 121 119 A 13 U H1' A 13 U H4' 1.0 1.7 4.4 122 120 A 14 C H1' A 14 C H4' 1.0 1.7 4.4 123 121 A 15 C H1' A 15 C H4' 1.0 1.7 4.4 124 122 A 4 G H1' A 4 G H5' 1.0 1.5 5.3 125 123 A 8 G H1' A 8 G H5'' 1.0 1.5 6.0 126 124 A 9 G H1' A 9 G H5' 1.0 1.5 5.3 127 125 A 9 G H1' A 9 G H5'' 1.0 1.5 5.3 128 126 A 13 U H1' A 13 U H5' 1.0 1.5 5.3 129 127 A 13 U H1' A 13 U H5'' 1.0 1.5 6.0 130 128 A 15 C H1' A 15 C H5'' 1.0 1.7 4.4 131 129 A 3 A H2 A 3 A H2' 1.0 1.5 6.0 132 130 A 10 A H2 A 10 A H2' 1.0 1.5 6.0 133 131 A 11 A H2 A 11 A H2' 1.0 1.5 6.0 134 132 A 12 C H5 A 12 C H2' 1.0 1.5 5.3 135 133 A 13 U H2' A 13 U H5 1.0 1.5 6.0 136 134 A 14 C H5 A 14 C H2' 1.0 1.5 5.3 137 135 A 15 C H5 A 15 C H2' 1.0 1.5 5.3 138 136 A 12 C H6 A 12 C H2' 1.0 1.7 4.4 139 137 A 13 U H6 A 13 U H2' 1.0 1.7 4.4 140 138 A 14 C H6 A 14 C H2' 1.0 1.7 4.4 141 139 A 15 C H6 A 15 C H2' 1.0 1.7 4.4 142 140 A 1 G H2' A 1 G H8 1.0 1.5 6.0 143 141 A 2 G H8 A 2 G H2' 1.0 1.5 5.3 144 142 A 3 A H8 A 3 A H2' 1.0 1.7 4.4 145 143 A 4 G H8 A 4 G H2' 1.0 1.5 5.3 146 144 A 5 A H8 A 5 A H2' 1.0 1.7 4.4 147 145 A 6 G H8 A 6 G H2' 1.0 1.7 4.4 148 146 A 8 G H8 A 8 G H2' 1.0 1.7 4.4 149 147 A 9 G H8 A 9 G H2' 1.0 1.7 4.4 150 148 A 11 A H8 A 11 A H2' 1.0 1.7 4.4 151 149 A 1 G H2' A 1 G H3' 1.0 1.5 3.0 152 150 A 3 A H2' A 3 A H3' 1.0 1.5 3.0 153 151 A 5 A H2' A 5 A H3' 1.0 1.5 3.0 154 152 A 6 G H2' A 6 G H3' 1.0 1.5 3.0 155 153 A 7 H2U H2' A 7 H2U H3' 1.0 1.5 3.0 156 154 A 8 G H2' A 8 G H3' 1.0 1.5 3.0 157 155 A 12 C H2' A 12 C H3' 1.0 1.5 3.0 158 156 A 14 C H2' A 14 C H3' 1.0 1.5 3.0 159 157 A 15 C H2' A 15 C H3' 1.0 1.5 3.0 160 158 A 3 A H2' A 3 A H4' 1.0 1.7 4.4 161 159 A 9 G H2' A 9 G H4' 1.0 1.7 4.4 162 160 A 10 A H2' A 10 A H4' 1.0 1.7 4.4 163 161 A 11 A H2' A 11 A H4' 1.0 1.7 4.4 164 162 A 1 G H2' A 1 G H5'' 1.0 1.5 6.0 165 163 A 2 G H2' A 2 G H5' 1.0 1.7 4.4 166 164 A 2 G H2' A 2 G H5'' 1.0 1.5 5.3 167 165 A 8 G H2' A 8 G H5'' 1.0 1.5 6.0 168 166 A 9 G H2' A 9 G H5'' 1.0 1.7 4.4 169 167 A 10 A H2' A 10 A H5' 1.0 1.7 4.4 170 168 A 10 A H2' A 10 A H5'' 1.0 1.5 5.3 171 169 A 3 A H2 A 3 A H3' 1.0 1.5 6.0 172 170 A 5 A H2 A 5 A H3' 1.0 1.5 6.0 173 171 A 12 C H5 A 12 C H3' 1.0 1.5 5.3 174 172 A 13 U H5 A 13 U H3' 1.0 1.5 5.3 175 173 A 14 C H5 A 14 C H3' 1.0 1.5 5.3 176 174 A 15 C H5 A 15 C H3' 1.0 1.5 6.0 177 175 A 12 C H6 A 12 C H3' 1.0 1.5 3.0 178 176 A 13 U H6 A 13 U H3' 1.0 1.5 3.0 179 177 A 14 C H6 A 14 C H3' 1.0 1.5 3.0 180 178 A 15 C H6 A 15 C H3' 1.0 1.5 3.0 181 179 A 1 G H8 A 1 G H3' 1.0 1.5 5.3 182 180 A 3 A H8 A 3 A H3' 1.0 1.5 5.3 183 181 A 5 A H8 A 5 A H3' 1.0 1.7 4.4 184 182 A 6 G H8 A 6 G H3' 1.0 1.5 3.0 185 183 A 8 G H8 A 8 G H3' 1.0 1.5 3.0 186 184 A 9 G H8 A 9 G H3' 1.0 1.5 3.0 187 185 A 10 A H8 A 10 A H3' 1.0 1.5 5.3 188 186 A 11 A H8 A 11 A H3' 1.0 1.5 5.3 189 187 A 3 A H3' A 3 A H4' 1.0 1.5 3.0 190 188 A 5 A H3' A 5 A H4' 1.0 1.5 3.0 191 189 A 7 H2U H3' A 7 H2U H4' 1.0 1.5 3.0 192 190 A 9 G H3' A 9 G H4' 1.0 1.5 3.0 193 191 A 10 A H3' A 10 A H4' 1.0 1.7 4.4 194 192 A 11 A H3' A 11 A H4' 1.0 1.5 3.0 195 193 A 13 U H3' A 13 U H4' 1.0 1.5 3.0 196 194 A 1 G H3' A 1 G H5'' 1.0 1.7 4.4 197 195 A 1 G H3' A 1 G H5' 1.0 1.7 4.4 198 196 A 8 G H3' A 8 G H5' 1.0 1.5 3.0 199 197 A 9 G H3' A 9 G H5' 1.0 1.5 3.0 200 198 A 9 G H3' A 9 G H5'' 1.0 1.5 3.0 201 199 A 10 A H3' A 10 A H5'' 1.0 1.5 5.3 202 200 A 14 C H3' A 14 C H5' 1.0 1.5 3.0 203 201 A 14 C H3' A 14 C H5'' 1.0 1.7 4.4 204 202 A 15 C H3' A 15 C H5' 1.0 1.5 3.0 205 203 A 10 A H2 A 10 A H4' 1.0 1.5 5.3 206 204 A 15 C H5 A 15 C H4' 1.0 1.5 6.0 207 205 A 13 U H6 A 13 U H4' 1.0 1.7 4.4 208 206 A 14 C H6 A 14 C H4' 1.0 1.7 4.4 209 207 A 15 C H6 A 15 C H4' 1.0 1.7 4.4 210 208 A 3 A H8 A 3 A H4' 1.0 1.5 5.3 211 209 A 5 A H8 A 5 A H4' 1.0 1.5 5.3 212 210 A 9 G H8 A 9 G H4' 1.0 1.5 6.0 213 211 A 10 A H8 A 10 A H4' 1.0 1.5 6.0 214 212 A 11 A H8 A 11 A H4' 1.0 1.5 5.3 215 213 A 9 G H4' A 9 G H5' 1.0 1.5 3.0 216 214 A 9 G H4' A 9 G H5'' 1.0 1.5 3.0 217 215 A 10 A H4' A 10 A H5' 1.0 1.5 3.0 218 216 A 10 A H4' A 10 A H5'' 1.0 1.5 3.0 219 217 A 13 U H4' A 13 U H5' 1.0 1.5 3.0 220 218 A 13 U H4' A 13 U H5'' 1.0 1.5 3.0 221 219 A 14 C H4' A 14 C H5' 1.0 1.5 3.0 222 220 A 14 C H4' A 14 C H5'' 1.0 1.5 3.0 223 221 A 15 C H4' A 15 C H5'' 1.0 1.5 3.0 224 222 A 10 A H2 A 10 A H5' 1.0 1.5 6.0 225 223 A 10 A H2 A 10 A H5'' 1.0 1.5 6.0 226 224 A 15 C H6 A 15 C H5'' 1.0 1.7 4.4 227 225 A 1 G H8 A 1 G H5' 1.0 1.5 5.3 228 226 A 1 G H8 A 1 G H5'' 1.0 1.5 5.3 229 227 A 2 G H8 A 2 G H5' 1.0 1.5 5.3 230 228 A 2 G H8 A 2 G H5'' 1.0 1.5 5.3 231 229 A 4 G H8 A 4 G H5' 1.0 1.7 4.4 232 230 A 4 G H8 A 4 G H5'' 1.0 1.7 4.4 233 231 A 8 G H8 A 8 G H5'' 1.0 1.5 5.3 234 232 A 9 G H8 A 9 G H5' 1.0 1.5 5.3 235 233 A 9 G H8 A 9 G H5'' 1.0 1.5 5.3 236 234 A 10 A H8 A 10 A H5' 1.0 1.5 6.0 237 235 A 1 G H5'' A 1 G H5' 1.0 1.5 3.0 238 236 A 2 G H5' A 2 G H5'' 1.0 1.5 3.0 239 237 A 4 G H5' A 4 G H5'' 1.0 1.5 3.0 240 238 A 9 G H5' A 9 G H5'' 1.0 1.5 3.0 241 239 A 10 A H5' A 10 A H5'' 1.0 1.5 3.0 242 240 A 12 C H5 A 12 C H6 1.0 1.5 3.0 243 241 A 13 U H6 A 13 U H5 1.0 1.5 3.0 244 242 A 14 C H5 A 14 C H6 1.0 1.5 3.0 245 243 A 14 C H5 A 14 C H6 1.0 1.5 3.0 246 244 A 15 C H6 A 15 C H5 1.0 1.5 3.0 stop_ save_ save_CNS/XPLOR_dihedral_3 _nef_dihedral_restraint_list.sf_category nef_dihedral_restraint_list _nef_dihedral_restraint_list.sf_framecode CNS/XPLOR_dihedral_3 _nef_dihedral_restraint_list.potential_type square-well-parabolic _nef_dihedral_restraint_list.restraint_origin . loop_ _nef_dihedral_restraint.index _nef_dihedral_restraint.restraint_id _nef_dihedral_restraint.chain_code_1 _nef_dihedral_restraint.sequence_code_1 _nef_dihedral_restraint.residue_name_1 _nef_dihedral_restraint.atom_name_1 _nef_dihedral_restraint.chain_code_2 _nef_dihedral_restraint.sequence_code_2 _nef_dihedral_restraint.residue_name_2 _nef_dihedral_restraint.atom_name_2 _nef_dihedral_restraint.chain_code_3 _nef_dihedral_restraint.sequence_code_3 _nef_dihedral_restraint.residue_name_3 _nef_dihedral_restraint.atom_name_3 _nef_dihedral_restraint.chain_code_4 _nef_dihedral_restraint.sequence_code_4 _nef_dihedral_restraint.residue_name_4 _nef_dihedral_restraint.atom_name_4 _nef_dihedral_restraint.weight _nef_dihedral_restraint.lower_limit _nef_dihedral_restraint.upper_limit _nef_dihedral_restraint.name 1 1 A 2 G P A 2 G O5' A 2 G C5' A 2 G C4' 1.0 158.0 198.0 BETA 2 2 A 3 A P A 3 A O5' A 3 A C5' A 3 A C4' 1.0 158.0 198.0 BETA 3 3 A 4 G P A 4 G O5' A 4 G C5' A 4 G C4' 1.0 158.0 198.0 BETA 4 4 A 12 C P A 12 C O5' A 12 C C5' A 12 C C4' 1.0 158.0 198.0 BETA 5 5 A 13 U P A 13 U O5' A 13 U C5' A 13 U C4' 1.0 158.0 198.0 BETA 6 6 A 14 C P A 14 C O5' A 14 C C5' A 14 C C4' 1.0 158.0 198.0 BETA 7 7 A 15 C P A 15 C O5' A 15 C C5' A 15 C C4' 1.0 158.0 198.0 BETA 8 8 A 1 G C4' A 1 G C3' A 1 G O3' A 2 G P 1.0 165.0 285.0 EPSILON 9 9 A 2 G C4' A 2 G C3' A 2 G O3' A 3 A P 1.0 165.0 285.0 EPSILON 10 10 A 3 A C4' A 3 A C3' A 3 A O3' A 4 G P 1.0 165.0 285.0 EPSILON 11 11 A 4 G C4' A 4 G C3' A 4 G O3' A 5 A P 1.0 165.0 285.0 EPSILON 12 12 A 12 C C4' A 12 C C3' A 12 C O3' A 13 U P 1.0 165.0 285.0 EPSILON 13 13 A 13 U C4' A 13 U C3' A 13 U O3' A 14 C P 1.0 165.0 285.0 EPSILON 14 14 A 1 G O5' A 1 G C5' A 1 G C4' A 1 G C3' 1.0 34.0 74.0 GAMMA 15 15 A 2 G O5' A 2 G C5' A 2 G C4' A 2 G C3' 1.0 34.0 74.0 GAMMA 16 16 A 3 A O5' A 3 A C5' A 3 A C4' A 3 A C3' 1.0 34.0 74.0 GAMMA 17 17 A 4 G O5' A 4 G C5' A 4 G C4' A 4 G C3' 1.0 34.0 74.0 GAMMA 18 18 A 12 C O5' A 12 C C5' A 12 C C4' A 12 C C3' 1.0 34.0 74.0 GAMMA 19 19 A 13 U O5' A 13 U C5' A 13 U C4' A 13 U C3' 1.0 34.0 74.0 GAMMA 20 20 A 14 C O5' A 14 C C5' A 14 C C4' A 14 C C3' 1.0 34.0 74.0 GAMMA 21 21 A 15 C O5' A 15 C C5' A 15 C C4' A 15 C C3' 1.0 34.0 74.0 GAMMA 22 22 A 1 G C3' A 1 G O3' A 2 G P A 2 G O5' 1.0 -120.0 120.0 ZETA 23 23 A 2 G C3' A 2 G O3' A 3 A P A 3 A O5' 1.0 -120.0 120.0 ZETA 24 24 A 3 A C3' A 3 A O3' A 4 G P A 4 G O5' 1.0 -120.0 120.0 ZETA 25 25 A 4 G C3' A 4 G O3' A 5 A P A 5 A O5' 1.0 -120.0 120.0 ZETA 26 26 A 12 C C3' A 12 C O3' A 13 U P A 13 U O5' 1.0 -120.0 120.0 ZETA 27 27 A 13 U C3' A 13 U O3' A 14 C P A 14 C O5' 1.0 -120.0 120.0 ZETA 28 28 A 1 G H1' A 1 G C1' A 1 G C2' A 1 G H2' 1.0 89.2 109.2 . 29 29 A 1 G H2' A 1 G C2' A 1 G C3' A 1 G H3' 1.0 29.4 49.4 . 30 30 A 1 G H3' A 1 G C3' A 1 G C4' A 1 G H4' 1.0 -172.0 -152.0 . 31 31 A 2 G H1' A 2 G C1' A 2 G C2' A 2 G H2' 1.0 89.2 109.2 . 32 32 A 2 G H2' A 2 G C2' A 2 G C3' A 2 G H3' 1.0 29.4 49.4 . 33 33 A 2 G H3' A 2 G C3' A 2 G C4' A 2 G H4' 1.0 -172.0 -152.0 . 34 34 A 3 A H1' A 3 A C1' A 3 A C2' A 3 A H2' 1.0 89.2 109.2 . 35 35 A 3 A H2' A 3 A C2' A 3 A C3' A 3 A H3' 1.0 29.4 49.4 . 36 36 A 3 A H3' A 3 A C3' A 3 A C4' A 3 A H4' 1.0 -172.0 -152.0 . 37 37 A 4 G H1' A 4 G C1' A 4 G C2' A 4 G H2' 1.0 89.2 109.2 . 38 38 A 4 G H2' A 4 G C2' A 4 G C3' A 4 G H3' 1.0 29.4 49.4 . 39 39 A 4 G H3' A 4 G C3' A 4 G C4' A 4 G H4' 1.0 -172.0 -152.0 . 40 40 A 12 C H1' A 12 C C1' A 12 C C2' A 12 C H2' 1.0 89.2 109.2 . 41 41 A 12 C H2' A 12 C C2' A 12 C C3' A 12 C H3' 1.0 29.4 49.4 . 42 42 A 12 C H3' A 12 C C3' A 12 C C4' A 12 C H4' 1.0 -172.0 -152.0 . 43 43 A 13 U H1' A 13 U C1' A 13 U C2' A 13 U H2' 1.0 89.2 109.2 . 44 44 A 13 U H2' A 13 U C2' A 13 U C3' A 13 U H3' 1.0 29.4 49.4 . 45 45 A 13 U H3' A 13 U C3' A 13 U C4' A 13 U H4' 1.0 -172.0 -152.0 . 46 46 A 14 C H1' A 14 C C1' A 14 C C2' A 14 C H2' 1.0 89.2 109.2 . 47 47 A 14 C H2' A 14 C C2' A 14 C C3' A 14 C H3' 1.0 29.4 49.4 . 48 48 A 14 C H3' A 14 C C3' A 14 C C4' A 14 C H4' 1.0 -172.0 -152.0 . 49 49 A 15 C H1' A 15 C C1' A 15 C C2' A 15 C H2' 1.0 89.2 109.2 . 50 50 A 15 C H2' A 15 C C2' A 15 C C3' A 15 C H3' 1.0 29.4 49.4 . 51 51 A 15 C H3' A 15 C C3' A 15 C C4' A 15 C H4' 1.0 -172.0 -152.0 . 52 52 A 7 H2U H1' A 7 H2U C1' A 7 H2U C2' A 7 H2U H2' 1.0 147.4 167.4 . 53 53 A 7 H2U H2' A 7 H2U C2' A 7 H2U C3' A 7 H2U H3' 1.0 -44.6 -24.6 . 54 54 A 7 H2U H3' A 7 H2U C3' A 7 H2U C4' A 7 H2U H4' 1.0 -110.5 -90.5 . stop_ save_