data_nef_c15915_2k7e 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 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 2 2 U O3' 2 3 SUR P 2 3 SUR O3' 2 4 U P 2 7 A O3' 2 8 PSU P 2 8 PSU O3' 2 9 C 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 C middle . . 3 A 3 G middle . . 4 A 4 G middle . . 5 A 5 U middle . . 6 A 6 G middle . . 7 A 7 U middle . . 8 A 8 A middle . . 9 A 9 A middle . . 10 A 10 A middle . . 11 A 11 A middle . . 12 A 12 G end . . 13 B 1 C start . . 14 B 2 U middle . . 15 B 3 SUR middle . . 16 B 4 U middle . . 17 B 5 U middle . . 18 B 6 A middle . . 19 B 7 A middle . . 20 B 8 PSU middle . . 21 B 9 C middle . . 22 B 10 U middle . . 23 B 11 G middle . . 24 B 12 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 H1' H 1 5.979 0.002 A 1 G H2' H 1 4.679 0.004 A 1 G H3' H 1 4.670 0.003 A 1 G H8 H 1 8.079 0.006 A 2 C H1' H 1 5.820 0.002 A 2 C H2' H 1 4.587 0.004 A 2 C H4x H 1 6.822 0.003 A 2 C H4y H 1 8.654 0.002 A 2 C H5 H 1 5.316 0.007 A 2 C H6 H 1 7.870 0.007 A 3 G H1 H 1 10.491 0.007 A 3 G H1' H 1 5.812 0.001 A 3 G H2' H 1 4.395 0.003 A 3 G H3' H 1 4.781 0.001 A 3 G H8 H 1 7.596 0.007 A 4 G H1 H 1 13.515 0.007 A 4 G H1' H 1 5.812 0.003 A 4 G H2' H 1 4.404 0.001 A 4 G H3' H 1 4.313 0.002 A 4 G H8 H 1 7.140 0.005 A 5 U H1' H 1 5.506 0.002 A 5 U H2' H 1 4.320 0.001 A 5 U H3' H 1 4.501 0.001 A 5 U H5 H 1 5.282 0.002 A 5 U H6 H 1 7.242 0.005 A 6 G H1 H 1 11.501 0.003 A 6 G H1' H 1 5.708 0.002 A 6 G H2' H 1 4.566 0.009 A 6 G H8 H 1 7.655 0.002 A 7 U H1' H 1 5.483 0.006 A 7 U H2' H 1 4.208 0.001 A 7 U H3 H 1 13.035 0.006 A 7 U H5 H 1 5.406 0.001 A 7 U H6 H 1 7.617 0.002 A 8 A H1' H 1 5.975 0.002 A 8 A H2 H 1 6.500 0.004 A 8 A H2' H 1 4.655 0.001 A 8 A H8 H 1 8.179 0.001 A 9 A H1' H 1 5.748 0.002 A 9 A H2 H 1 7.020 0.004 A 9 A H2' H 1 4.459 0.002 A 9 A H3' H 1 4.791 0.002 A 9 A H8 H 1 8.092 0.002 A 10 A H1' H 1 5.803 0.001 A 10 A H2 H 1 7.916 0.003 A 10 A H2' H 1 4.575 0.002 A 10 A H3' H 1 4.770 0.002 A 10 A H8 H 1 7.825 0.003 A 11 A H1' H 1 5.812 0.001 A 11 A H2 H 1 7.674 0.002 A 11 A H2' H 1 4.197 0.002 A 11 A H3' H 1 4.596 0.002 A 12 G H1 H 1 13.625 0.003 A 12 G H1' H 1 5.708 0.005 A 12 G H2' H 1 3.942 0.001 A 12 G H8 H 1 7.255 0.003 B 1 C H1' H 1 5.565 0.001 B 1 C H2' H 1 4.509 0.002 B 1 C H3' H 1 4.566 0.002 B 1 C H4x H 1 7.317 0.003 B 1 C H4y H 1 8.203 0.001 B 1 C H5 H 1 5.984 0.001 B 1 C H6 H 1 8.194 0.008 B 2 U H1' H 1 5.665 0.004 B 2 U H2' H 1 4.512 0.009 B 2 U H3 H 1 14.526 0.008 B 2 U H3' H 1 4.762 0.003 B 2 U H5 H 1 5.532 0.001 B 2 U H6 H 1 8.203 0.003 B 3 SUR H1' H 1 6.157 0.006 B 3 SUR H2' H 1 4.490 0.008 B 3 SUR H3 H 1 14.258 0.008 B 3 SUR H3' H 1 4.858 0.003 B 3 SUR H5 H 1 5.984 0.002 B 3 SUR H6 H 1 8.249 0.002 B 4 U H1' H 1 5.649 0.008 B 4 U H2' H 1 4.369 0.005 B 4 U H3 H 1 13.561 0.005 B 4 U H3' H 1 4.767 0.009 B 4 U H5 H 1 5.637 0.003 B 4 U H6 H 1 8.095 0.008 B 5 U H1' H 1 5.540 0.003 B 5 U H2' H 1 4.506 0.001 B 5 U H3 H 1 13.035 0.009 B 5 U H5 H 1 5.640 0.002 B 5 U H6 H 1 8.003 0.003 B 6 A H1' H 1 5.867 0.002 B 6 A H2 H 1 7.986 0.002 B 6 A H2' H 1 4.458 0.003 B 6 A H3' H 1 4.780 0.005 B 6 A H8 H 1 8.113 0.002 B 7 A H1' H 1 5.983 0.004 B 7 A H2 H 1 8.127 0.001 B 7 A H2' H 1 4.520 0.005 B 7 A H3' H 1 4.790 0.008 B 7 A H8 H 1 7.968 0.001 B 8 PSU H1' H 1 5.658 0.002 B 8 PSU H2' H 1 4.208 0.006 B 8 PSU H3' H 1 4.163 0.002 B 8 PSU H5' H 1 3.958 0.004 B 8 PSU H6 H 1 6.829 0.003 B 8 PSU HN1 H 1 10.812 0.003 B 8 PSU HN3 H 1 10.327 0.005 B 9 C H1' H 1 5.797 0.002 B 9 C H2' H 1 4.446 0.001 B 9 C H3' H 1 4.413 0.002 B 9 C H4x H 1 7.212 0.006 B 9 C H4y H 1 8.373 0.006 B 9 C H5 H 1 5.667 0.006 B 9 C H6 H 1 7.917 0.002 B 10 U H1' H 1 5.721 0.017 B 10 U H2' H 1 4.386 0.001 B 10 U H3 H 1 11.804 0.002 B 10 U H3' H 1 4.226 0.008 B 10 U H5 H 1 5.825 0.002 B 10 U H6 H 1 7.808 0.008 B 11 G H1 H 1 13.047 0.003 B 11 G H1' H 1 5.765 0.001 B 11 G H2' H 1 4.515 0.002 B 11 G H3' H 1 4.665 0.001 B 11 G H8 H 1 8.067 0.009 B 12 C H1' H 1 5.763 0.009 B 12 C H2' H 1 4.039 0.001 B 12 C H3' H 1 4.226 0.001 B 12 C H5 H 1 5.361 0.004 B 12 C H6 H 1 7.554 0.004 stop_ save_ save_assigned_chem_shift_list_2 _nef_chemical_shift_list.sf_category nef_chemical_shift_list _nef_chemical_shift_list.sf_framecode assigned_chem_shift_list_2 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 H1' H 1 5.969 0.002 A 1 G H2' H 1 4.669 0.004 A 1 G H3' H 1 4.660 0.003 A 1 G H8 H 1 8.069 0.006 A 2 C H1' H 1 5.810 0.002 A 2 C H2' H 1 4.577 0.004 A 2 C H4x H 1 6.812 0.003 A 2 C H4y H 1 8.644 0.002 A 2 C H5 H 1 5.306 0.007 A 2 C H6 H 1 7.860 0.007 A 3 G H1 H 1 10.481 0.007 A 3 G H1' H 1 5.802 0.001 A 3 G H2' H 1 4.385 0.003 A 3 G H3' H 1 4.771 0.001 A 3 G H8 H 1 7.586 0.007 A 4 G H1 H 1 13.505 0.007 A 4 G H1' H 1 5.802 0.003 A 4 G H2' H 1 4.394 0.001 A 4 G H3' H 1 4.303 0.002 A 4 G H8 H 1 7.130 0.005 A 5 U H1' H 1 5.496 0.002 A 5 U H2' H 1 4.310 0.001 A 5 U H3' H 1 4.491 0.001 A 5 U H5 H 1 5.272 0.002 A 5 U H6 H 1 7.232 0.005 A 6 G H1 H 1 11.491 0.003 A 6 G H1' H 1 5.698 0.002 A 6 G H2' H 1 4.556 0.009 A 6 G H8 H 1 7.645 0.002 A 7 U H1' H 1 5.473 0.006 A 7 U H2' H 1 4.198 0.001 A 7 U H3 H 1 13.025 0.006 A 7 U H5 H 1 5.396 0.001 A 7 U H6 H 1 7.607 0.002 A 8 A H1' H 1 5.965 0.002 A 8 A H2 H 1 6.490 0.004 A 8 A H2' H 1 4.645 0.001 A 8 A H8 H 1 8.169 0.001 A 9 A H1' H 1 5.738 0.002 A 9 A H2 H 1 7.010 0.004 A 9 A H2' H 1 4.449 0.002 A 9 A H3' H 1 4.781 0.002 A 9 A H8 H 1 8.082 0.002 A 10 A H1' H 1 5.793 0.001 A 10 A H2 H 1 7.906 0.003 A 10 A H2' H 1 4.565 0.002 A 10 A H3' H 1 4.760 0.002 A 10 A H8 H 1 7.815 0.003 A 11 A H1' H 1 5.802 0.001 A 11 A H2 H 1 7.664 0.002 A 11 A H2' H 1 4.187 0.002 A 11 A H3' H 1 4.586 0.002 A 12 G H1 H 1 13.615 0.003 A 12 G H1' H 1 5.698 0.005 A 12 G H2' H 1 3.932 0.001 A 12 G H8 H 1 7.245 0.003 stop_ save_ save_assigned_chem_shift_list_3 _nef_chemical_shift_list.sf_category nef_chemical_shift_list _nef_chemical_shift_list.sf_framecode assigned_chem_shift_list_3 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 B 1 C H1' H 1 5.555 0.001 B 1 C H2' H 1 4.499 0.002 B 1 C H3' H 1 4.556 0.002 B 1 C H4x H 1 7.307 0.003 B 1 C H4y H 1 8.193 0.001 B 1 C H5 H 1 5.974 0.001 B 1 C H6 H 1 8.184 0.008 B 2 U H1' H 1 5.655 0.004 B 2 U H2' H 1 4.502 0.009 B 2 U H3 H 1 14.516 0.008 B 2 U H3' H 1 4.752 0.003 B 2 U H5 H 1 5.522 0.001 B 2 U H6 H 1 8.193 0.003 B 3 SUR H1' H 1 6.147 0.006 B 3 SUR H2' H 1 4.480 0.008 B 3 SUR H3 H 1 14.248 0.008 B 3 SUR H3' H 1 4.848 0.003 B 3 SUR H5 H 1 5.974 0.002 B 3 SUR H6 H 1 8.239 0.002 B 4 U H1' H 1 5.639 0.008 B 4 U H2' H 1 4.359 0.005 B 4 U H3 H 1 13.551 0.005 B 4 U H3' H 1 4.757 0.009 B 4 U H5 H 1 5.627 0.003 B 4 U H6 H 1 8.085 0.008 B 5 U H1' H 1 5.530 0.003 B 5 U H2' H 1 4.496 0.001 B 5 U H3 H 1 13.025 0.009 B 5 U H5 H 1 5.630 0.002 B 5 U H6 H 1 7.993 0.003 B 6 A H1' H 1 5.857 0.002 B 6 A H2 H 1 7.976 0.002 B 6 A H2' H 1 4.448 0.003 B 6 A H3' H 1 4.770 0.005 B 6 A H8 H 1 8.103 0.002 B 7 A H1' H 1 5.973 0.004 B 7 A H2 H 1 8.117 0.001 B 7 A H2' H 1 4.510 0.005 B 7 A H3' H 1 4.780 0.008 B 7 A H8 H 1 7.958 0.001 B 8 PSU H1' H 1 5.648 0.002 B 8 PSU H2' H 1 4.198 0.006 B 8 PSU H3' H 1 4.153 0.002 B 8 PSU H5' H 1 3.948 0.004 B 8 PSU H6 H 1 6.819 0.003 B 8 PSU HN1 H 1 10.802 0.003 B 8 PSU HN3 H 1 10.317 0.005 B 9 C H1' H 1 5.787 0.002 B 9 C H2' H 1 4.436 0.001 B 9 C H3' H 1 4.403 0.002 B 9 C H4x H 1 7.202 0.006 B 9 C H4y H 1 8.363 0.006 B 9 C H5 H 1 5.657 0.006 B 9 C H6 H 1 7.907 0.002 B 10 U H1' H 1 5.711 0.017 B 10 U H2' H 1 4.376 0.001 B 10 U H3 H 1 11.794 0.002 B 10 U H3' H 1 4.216 0.008 B 10 U H5 H 1 5.815 0.002 B 10 U H6 H 1 7.798 0.008 B 11 G H1 H 1 13.037 0.003 B 11 G H1' H 1 5.755 0.001 B 11 G H2' H 1 4.505 0.002 B 11 G H3' H 1 4.655 0.001 B 11 G H8 H 1 8.057 0.009 B 12 C H1' H 1 5.753 0.009 B 12 C H2' H 1 4.029 0.001 B 12 C H3' H 1 4.216 0.001 B 12 C H5 H 1 5.351 0.004 B 12 C H6 H 1 7.544 0.004 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 1 G H1 B 11 G H1 1.0 0.0 5.0 2 2 A 1 G H1 B 12 C H4y 1.0 0.0 5.0 3 3 A 1 G H1' A 2 C H6 1.0 0.0 5.5 4 4 A 2 C H6 A 1 G H2' 1.0 0.0 3.5 5 5 A 2 C H6 A 1 G H3' 1.0 0.0 3.5 6 6 A 1 G H2' A 2 C H1' 1.0 0.0 4.5 7 7 A 1 G H2' A 2 C H3' 1.0 0.0 4.5 8 8 A 2 C H6 A 1 G H8 1.0 0.0 5.5 9 9 A 1 G H1' A 1 G H8 1.0 0.0 4.5 10 10 A 1 G H2' A 1 G H8 1.0 0.0 4.5 11 11 A 1 G H1' A 1 G H2' 1.0 0.0 3.5 12 12 A 1 G H3' A 1 G H8 1.0 0.0 4.5 13 13 A 1 G H2' A 1 G H3' 1.0 0.0 3.5 14 14 B 12 C H1' B 12 C H6 1.0 0.0 4.5 15 15 B 12 C H6 B 12 C H2' 1.0 0.0 4.5 16 16 B 12 C H1' B 12 C H2' 1.0 0.0 3.5 17 17 B 12 C H6 B 12 C H3' 1.0 0.0 4.5 18 18 B 12 C H2' B 12 C H3' 1.0 0.0 3.5 19 19 B 11 G H1 A 2 C H4y 1.0 0.0 5.0 20 20 B 11 G H1 A 3 G H1 1.0 0.0 5.0 21 21 B 11 G H1 B 10 U H3 1.0 0.0 5.0 22 22 A 2 C H1' A 3 G H8 1.0 0.0 5.5 23 23 A 3 G H8 A 2 C H2' 1.0 0.0 3.5 24 24 A 2 C H3' A 3 G H8 1.0 0.0 3.5 25 25 A 2 C H2' A 3 G H1' 1.0 0.0 4.5 26 26 A 2 C H2' A 3 G H3' 1.0 0.0 4.5 27 27 A 2 C H6 A 3 G H8 1.0 0.0 5.5 28 28 A 2 C H6 A 2 C H1' 1.0 0.0 4.5 29 29 A 2 C H6 A 2 C H2' 1.0 0.0 4.5 30 30 A 2 C H1' A 2 C H2' 1.0 0.0 3.5 31 31 A 2 C H6 A 2 C H3' 1.0 0.0 4.5 32 32 A 2 C H3' A 2 C H2' 1.0 0.0 3.5 33 33 B 12 C H6 B 11 G H1' 1.0 0.0 5.5 34 34 B 12 C H6 B 11 G H2' 1.0 0.0 3.5 35 35 B 12 C H6 B 11 G H3' 1.0 0.0 3.5 36 36 B 12 C H1' B 11 G H2' 1.0 0.0 4.5 37 37 B 12 C H3' B 11 G H2' 1.0 0.0 4.5 38 38 B 12 C H6 B 11 G H8 1.0 0.0 5.5 39 39 B 11 G H1' B 11 G H8 1.0 0.0 4.5 40 40 B 11 G H2' B 11 G H8 1.0 0.0 4.5 41 41 B 11 G H1' B 11 G H2' 1.0 0.0 3.5 42 42 B 11 G H3' B 11 G H8 1.0 0.0 4.5 43 43 B 11 G H2' B 11 G H3' 1.0 0.0 3.5 44 44 A 3 G H1 B 10 U H3 1.0 0.0 5.0 45 45 A 3 G H1 A 4 G H1 1.0 0.0 5.0 46 46 B 10 U H3 A 4 G H1 1.0 0.0 5.0 47 47 A 4 G H1 A 5 U H3 1.0 0.0 5.0 48 48 A 3 G H1 B 10 U H3 1.0 0.0 4.0 49 49 B 10 U H3 B 11 G H1' 1.0 0.0 5.0 50 50 A 4 G H1 B 10 U H1' 1.0 0.0 5.0 51 51 A 3 G H1' A 4 G H8 1.0 0.0 5.5 52 52 A 4 G H8 A 3 G H2' 1.0 0.0 3.5 53 53 A 3 G H3' A 4 G H8 1.0 0.0 3.5 54 54 A 3 G H2' A 4 G H1' 1.0 0.0 4.5 55 55 A 3 G H2' A 4 G H3' 1.0 0.0 4.5 56 56 A 3 G H8 A 4 G H8 1.0 0.0 5.5 57 57 A 3 G H8 A 3 G H1' 1.0 0.0 4.5 58 58 A 3 G H8 A 3 G H2' 1.0 0.0 4.5 59 59 A 3 G H1' A 3 G H2' 1.0 0.0 3.5 60 60 A 3 G H8 A 3 G H3' 1.0 0.0 4.5 61 61 A 3 G H3' A 3 G H2' 1.0 0.0 3.5 62 62 B 11 G H8 B 10 U H1' 1.0 0.0 5.5 63 63 B 11 G H8 B 10 U H2' 1.0 0.0 3.5 64 64 B 11 G H8 B 10 U H3' 1.0 0.0 3.5 65 65 B 11 G H1' B 10 U H2' 1.0 0.0 4.5 66 66 B 11 G H3' B 10 U H2' 1.0 0.0 4.5 67 67 B 11 G H8 B 10 U H6 1.0 0.0 5.5 68 68 B 10 U H1' B 10 U H6 1.0 0.0 4.5 69 69 B 10 U H2' B 10 U H6 1.0 0.0 4.5 70 70 B 10 U H1' B 10 U H2' 1.0 0.0 3.5 71 71 B 10 U H3' B 10 U H6 1.0 0.0 4.5 72 72 B 10 U H2' B 10 U H3' 1.0 0.0 3.5 73 73 A 4 G H1 B 9 C H4y 1.0 0.0 5.0 74 74 A 4 G H1 B 10 U H1' 1.0 0.0 5.0 75 75 A 4 G H1' A 5 U H6 1.0 0.0 5.5 76 76 A 5 U H6 A 4 G H2' 1.0 0.0 3.5 77 77 A 4 G H3' A 5 U H6 1.0 0.0 3.5 78 78 A 4 G H2' A 5 U H1' 1.0 0.0 4.5 79 79 A 4 G H2' A 5 U H3' 1.0 0.0 4.5 80 80 A 4 G H8 A 5 U H6 1.0 0.0 5.5 81 81 A 4 G H8 A 4 G H1' 1.0 0.0 4.5 82 82 A 4 G H8 A 4 G H2' 1.0 0.0 4.5 83 83 A 4 G H1' A 4 G H2' 1.0 0.0 3.5 84 84 A 4 G H8 A 4 G H3' 1.0 0.0 4.5 85 85 A 4 G H3' A 4 G H2' 1.0 0.0 3.5 86 86 B 10 U H6 B 9 C H1' 1.0 0.0 5.5 87 87 B 10 U H6 B 9 C H2' 1.0 0.0 3.5 88 88 B 10 U H6 B 9 C H3' 1.0 0.0 3.5 89 89 B 10 U H1' B 9 C H2' 1.0 0.0 4.5 90 90 B 10 U H3' B 9 C H2' 1.0 0.0 4.5 91 91 B 10 U H6 B 9 C H6 1.0 0.0 5.5 92 92 B 9 C H1' B 9 C H6 1.0 0.0 4.5 93 93 B 9 C H2' B 9 C H6 1.0 0.0 4.5 94 94 B 9 C H1' B 9 C H2' 1.0 0.0 3.5 95 95 B 9 C H3' B 9 C H6 1.0 0.0 4.5 96 96 B 9 C H2' B 9 C H3' 1.0 0.0 3.5 97 97 A 5 U H6 A 5 U H1' 1.0 0.0 4.5 98 98 A 5 U H6 A 5 U H2' 1.0 0.0 4.5 99 99 A 5 U H1' A 5 U H2' 1.0 0.0 3.5 100 100 A 5 U H6 A 5 U H3' 1.0 0.0 4.5 101 101 A 5 U H3' A 5 U H2' 1.0 0.0 3.5 102 102 B 9 C H6 B 8 PSU H1' 1.0 0.0 5.5 103 103 B 9 C H6 B 8 PSU H2' 1.0 0.0 3.5 104 104 B 9 C H6 B 8 PSU H3' 1.0 0.0 3.5 105 105 B 9 C H1' B 8 PSU H2' 1.0 0.0 4.5 106 106 B 9 C H3' B 8 PSU H2' 1.0 0.0 4.5 107 107 B 9 C H6 B 8 PSU H6 1.0 0.0 5.5 108 108 B 8 PSU H1' B 8 PSU H6 1.0 0.0 4.5 109 109 B 8 PSU H2' B 8 PSU H6 1.0 0.0 4.5 110 110 B 8 PSU H2' B 8 PSU H1' 1.0 0.0 3.5 111 111 B 8 PSU H3' B 8 PSU H6 1.0 0.0 4.5 112 112 B 8 PSU H2' B 8 PSU H3' 1.0 0.0 3.5 113 113 B 6 A H2 A 7 U H3 1.0 0.0 4.0 114 114 A 7 U H3 B 6 A H6y 1.0 0.0 5.7 115 115 A 6 G H1' A 7 U H6 1.0 0.0 5.5 116 116 A 7 U H6 A 6 G H2' 1.0 0.0 3.5 117 117 A 6 G H2' A 7 U H1' 1.0 0.0 4.5 118 118 A 6 G H2' A 7 U H3' 1.0 0.0 4.5 119 119 A 7 U H6 A 7 U H1' 1.0 0.0 4.5 120 120 A 7 U H6 A 7 U H2' 1.0 0.0 4.5 121 121 A 7 U H1' A 7 U H2' 1.0 0.0 3.5 122 122 A 7 U H6 A 7 U H3' 1.0 0.0 4.5 123 123 A 7 U H3' A 7 U H2' 1.0 0.0 3.5 124 124 B 6 A H1' B 7 A H8 1.0 0.0 5.5 125 125 B 7 A H8 B 6 A H2' 1.0 0.0 3.5 126 126 B 7 A H8 B 6 A H3' 1.0 0.0 3.5 127 127 B 6 A H2' B 7 A H1' 1.0 0.0 4.5 128 128 B 7 A H3' B 6 A H2' 1.0 0.0 4.5 129 129 B 7 A H8 B 6 A H8 1.0 0.0 5.5 130 130 B 6 A H2 B 7 A H1' 1.0 0.0 5.5 131 131 B 6 A H2 A 8 A H1' 1.0 0.0 5.5 132 132 B 6 A H1' B 6 A H8 1.0 0.0 4.5 133 133 B 6 A H2' B 6 A H8 1.0 0.0 4.5 134 134 B 6 A H1' B 6 A H2' 1.0 0.0 3.5 135 135 B 6 A H3' B 6 A H8 1.0 0.0 4.5 136 136 B 6 A H2' B 6 A H3' 1.0 0.0 3.5 137 137 B 8 PSU H6 B 7 A H1' 1.0 0.0 5.5 138 138 B 7 A H2' B 8 PSU H6 1.0 0.0 3.5 139 139 B 7 A H3' B 8 PSU H6 1.0 0.0 3.5 140 140 B 7 A H2' B 8 PSU H1' 1.0 0.0 4.5 141 141 B 7 A H2' B 8 PSU H3' 1.0 0.0 4.5 142 142 B 8 PSU H6 B 7 A H8 1.0 0.0 5.5 143 143 B 7 A H8 B 7 A H1' 1.0 0.0 4.5 144 144 B 7 A H2' B 7 A H8 1.0 0.0 4.5 145 145 B 7 A H2' B 7 A H1' 1.0 0.0 3.5 146 146 B 7 A H3' B 7 A H8 1.0 0.0 4.5 147 147 B 7 A H2' B 7 A H3' 1.0 0.0 3.5 148 148 A 8 A H2 B 5 U H3 1.0 0.0 3.5 149 149 B 5 U H3 A 8 A H6y 1.0 0.0 2.8 150 150 A 7 U H1' A 8 A H8 1.0 0.0 5.5 151 151 A 7 U H2' A 8 A H8 1.0 0.0 3.5 152 152 A 7 U H3' A 8 A H8 1.0 0.0 3.5 153 153 A 7 U H2' A 8 A H1' 1.0 0.0 4.5 154 154 A 7 U H2' A 8 A H3' 1.0 0.0 4.5 155 155 A 7 U H6 A 8 A H8 1.0 0.0 5.5 156 156 A 8 A H1' A 8 A H8 1.0 0.0 4.5 157 157 A 8 A H8 A 8 A H2' 1.0 0.0 4.5 158 158 A 8 A H1' A 8 A H2' 1.0 0.0 3.5 159 159 A 8 A H8 A 8 A H3' 1.0 0.0 4.5 160 160 A 8 A H3' A 8 A H2' 1.0 0.0 3.5 161 161 B 6 A H8 B 5 U H1' 1.0 0.0 5.5 162 162 B 6 A H8 B 5 U H2' 1.0 0.0 3.5 163 163 B 6 A H8 B 5 U H3' 1.0 0.0 3.5 164 164 B 6 A H1' B 5 U H2' 1.0 0.0 4.5 165 165 B 6 A H3' B 5 U H2' 1.0 0.0 4.5 166 166 B 6 A H8 B 5 U H6 1.0 0.0 5.5 167 167 B 5 U H1' B 5 U H6 1.0 0.0 4.5 168 168 B 5 U H2' B 5 U H6 1.0 0.0 4.5 169 169 B 5 U H1' B 5 U H2' 1.0 0.0 3.5 170 170 B 5 U H3' B 5 U H6 1.0 0.0 4.5 171 171 B 5 U H2' B 5 U H3' 1.0 0.0 3.5 172 172 A 9 A H2 B 4 U H3 1.0 0.0 3.5 173 173 B 4 U H3 A 9 A H6y 1.0 0.0 2.8 174 174 B 4 U H3 A 10 A H6y 1.0 0.0 5.0 175 175 B 5 U H3 B 4 U H3 1.0 0.0 5.0 176 176 A 8 A H1' A 9 A H8 1.0 0.0 5.5 177 177 A 8 A H2' A 9 A H8 1.0 0.0 3.5 178 178 A 8 A H3' A 9 A H8 1.0 0.0 3.5 179 179 A 8 A H2' A 9 A H1' 1.0 0.0 4.5 180 180 A 8 A H2' A 9 A H3' 1.0 0.0 4.5 181 181 A 8 A H8 A 9 A H8 1.0 0.0 5.5 182 182 A 8 A H2 A 9 A H1' 1.0 0.0 5.5 183 183 B 6 A H1' A 8 A H2 1.0 0.0 5.5 184 184 A 9 A H8 A 9 A H1' 1.0 0.0 4.5 185 185 A 9 A H8 A 9 A H2' 1.0 0.0 4.5 186 186 A 9 A H1' A 9 A H2' 1.0 0.0 3.5 187 187 A 9 A H8 A 9 A H3' 1.0 0.0 4.5 188 188 A 9 A H3' A 9 A H2' 1.0 0.0 3.5 189 189 B 5 U H6 B 4 U H1' 1.0 0.0 5.5 190 190 B 5 U H6 B 4 U H2' 1.0 0.0 3.5 191 191 B 5 U H6 B 4 U H3' 1.0 0.0 3.5 192 192 B 5 U H1' B 4 U H2' 1.0 0.0 4.5 193 193 B 5 U H3' B 4 U H2' 1.0 0.0 4.5 194 194 B 5 U H6 B 4 U H6 1.0 0.0 5.5 195 195 B 4 U H1' B 4 U H6 1.0 0.0 4.5 196 196 B 4 U H2' B 4 U H6 1.0 0.0 4.5 197 197 B 4 U H1' B 4 U H2' 1.0 0.0 3.5 198 198 B 4 U H3' B 4 U H6 1.0 0.0 4.5 199 199 B 4 U H2' B 4 U H3' 1.0 0.0 3.5 200 200 A 9 A H1' A 10 A H8 1.0 0.0 5.5 201 201 A 9 A H2' A 10 A H8 1.0 0.0 3.5 202 202 A 9 A H3' A 10 A H8 1.0 0.0 3.5 203 203 A 9 A H2' A 10 A H1' 1.0 0.0 4.5 204 204 A 9 A H2' A 10 A H3' 1.0 0.0 4.5 205 205 A 9 A H8 A 10 A H8 1.0 0.0 5.5 206 206 A 9 A H2 A 10 A H1' 1.0 0.0 5.5 207 207 B 5 U H1' A 9 A H2 1.0 0.0 5.5 208 208 A 10 A H8 A 10 A H1' 1.0 0.0 4.5 209 209 A 10 A H8 A 10 A H2' 1.0 0.0 4.5 210 210 A 10 A H1' A 10 A H2' 1.0 0.0 3.5 211 211 A 10 A H8 A 10 A H3' 1.0 0.0 4.5 212 212 A 10 A H3' A 10 A H2' 1.0 0.0 3.5 213 213 A 10 A H1' A 11 A H8 1.0 0.0 5.5 214 214 A 10 A H2' A 11 A H8 1.0 0.0 3.5 215 215 A 10 A H3' A 11 A H8 1.0 0.0 3.5 216 216 A 10 A H2' A 11 A H1' 1.0 0.0 4.5 217 217 A 10 A H2' A 11 A H3' 1.0 0.0 4.5 218 218 A 10 A H8 A 11 A H8 1.0 0.0 5.5 219 219 A 10 A H2 A 11 A H1' 1.0 0.0 5.5 220 220 B 4 U H1' A 10 A H2 1.0 0.0 5.5 221 221 B 4 U H6 B 3 SUR H1' 1.0 0.0 5.5 222 222 B 4 U H6 B 3 SUR H2' 1.0 0.0 3.5 223 223 B 4 U H6 B 3 SUR H3' 1.0 0.0 3.5 224 224 B 4 U H1' B 3 SUR H2' 1.0 0.0 4.5 225 225 B 4 U H3' B 3 SUR H2' 1.0 0.0 4.5 226 226 B 3 SUR H1' B 3 SUR H2' 1.0 0.0 3.5 227 227 B 3 SUR H2' B 3 SUR H3' 1.0 0.0 3.5 228 228 A 11 A H2 B 2 U H3 1.0 0.0 4.2 229 229 A 11 A H6y B 2 U H3 1.0 0.0 2.8 230 230 A 11 A H8 A 11 A H1' 1.0 0.0 4.5 231 231 A 11 A H8 A 11 A H2' 1.0 0.0 4.5 232 232 A 11 A H1' A 11 A H2' 1.0 0.0 3.5 233 233 A 11 A H8 A 11 A H3' 1.0 0.0 4.5 234 234 A 11 A H3' A 11 A H2' 1.0 0.0 3.5 235 235 A 11 A H1' A 12 G H8 1.0 0.0 5.5 236 236 A 11 A H2' A 12 G H8 1.0 0.0 3.5 237 237 A 11 A H3' A 12 G H8 1.0 0.0 3.5 238 238 A 11 A H2' A 12 G H1' 1.0 0.0 4.5 239 239 A 11 A H2' A 12 G H3' 1.0 0.0 4.5 240 240 A 11 A H8 A 12 G H8 1.0 0.0 5.5 241 241 A 11 A H2 A 12 G H1' 1.0 0.0 5.5 242 242 A 11 A H2 B 3 SUR H1' 1.0 0.0 5.5 243 243 B 3 SUR H1' B 2 U H2' 1.0 0.0 4.5 244 244 B 3 SUR H3' B 2 U H2' 1.0 0.0 4.5 245 245 B 2 U H1' B 2 U H6 1.0 0.0 4.5 246 246 B 2 U H2' B 2 U H6 1.0 0.0 4.5 247 247 B 2 U H1' B 2 U H2' 1.0 0.0 3.5 248 248 B 2 U H3' B 2 U H6 1.0 0.0 4.5 249 249 B 2 U H2' B 2 U H3' 1.0 0.0 3.5 250 250 A 12 G H1 B 1 C H4y 1.0 0.0 5.0 251 251 A 12 G H8 A 12 G H1' 1.0 0.0 4.5 252 252 A 12 G H8 A 12 G H2' 1.0 0.0 4.5 253 253 A 12 G H1' A 12 G H2' 1.0 0.0 3.5 254 254 A 12 G H8 A 12 G H3' 1.0 0.0 4.5 255 255 A 12 G H3' A 12 G H2' 1.0 0.0 3.5 256 256 B 2 U H6 B 1 C H1' 1.0 0.0 5.5 257 257 B 2 U H6 B 1 C H2' 1.0 0.0 3.5 258 258 B 2 U H6 B 1 C H3' 1.0 0.0 3.5 259 259 B 2 U H1' B 1 C H2' 1.0 0.0 4.5 260 260 B 2 U H3' B 1 C H2' 1.0 0.0 4.5 261 261 B 2 U H6 B 1 C H6 1.0 0.0 5.5 262 262 B 1 C H1' B 1 C H6 1.0 0.0 4.5 263 263 B 1 C H2' B 1 C H6 1.0 0.0 4.5 264 264 B 1 C H1' B 1 C H2' 1.0 0.0 3.5 265 265 B 1 C H3' B 1 C H6 1.0 0.0 4.5 266 266 B 1 C H2' B 1 C H3' 1.0 0.0 3.5 stop_ save_ save_CNS/XPLOR_distance_constraints_5 _nef_distance_restraint_list.sf_category nef_distance_restraint_list _nef_distance_restraint_list.sf_framecode CNS/XPLOR_distance_constraints_5 _nef_distance_restraint_list.restraint_origin hbond _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 1 G H1 B 12 C N3 1.0 1.65 2.05 2 2 B 12 C N3 A 1 G N1 1.0 2.66 3.16 3 3 A 1 G H2y B 12 C O2 1.0 1.78 2.18 4 4 B 12 C O2 A 1 G N2 1.0 2.65 3.15 5 5 B 12 C H4y A 1 G O6 1.0 1.47 1.87 6 6 A 1 G O6 B 12 C N4 1.0 2.65 3.15 7 7 B 11 G H1 A 2 C N3 1.0 1.65 2.05 8 8 A 2 C N3 B 11 G N1 1.0 2.66 3.16 9 9 B 11 G H2y A 2 C O2 1.0 1.78 2.18 10 10 A 2 C O2 B 11 G N2 1.0 2.65 3.15 11 11 A 2 C H4y B 11 G O6 1.0 1.47 1.87 12 12 B 11 G O6 A 2 C N4 1.0 2.65 3.15 13 13 B 10 U H3 A 3 G O6 1.0 1.65 2.05 14 14 A 3 G O6 B 10 U N3 1.0 2.70 3.20 15 15 A 3 G H1 B 10 U O2 1.0 2.65 3.15 16 16 A 4 G H1 B 9 C N3 1.0 1.65 2.05 17 17 B 9 C N3 A 4 G N1 1.0 2.66 3.16 18 18 A 4 G H2y B 9 C O2 1.0 1.78 2.18 19 19 B 9 C O2 A 4 G N2 1.0 2.65 3.15 20 20 B 9 C H4y A 4 G O6 1.0 1.47 1.87 21 21 A 4 G O6 B 9 C N4 1.0 2.65 3.15 22 22 A 7 U H3 B 6 A N1 1.0 1.65 2.05 23 23 B 6 A N1 A 7 U N3 1.0 2.70 3.20 24 24 B 6 A N6 A 7 U O4 1.0 2.65 3.15 25 25 B 6 A H6y A 7 U O4 1.0 1.58 1.98 26 26 B 5 U H3 A 8 A N1 1.0 1.65 2.05 27 27 A 8 A N1 B 5 U N3 1.0 2.70 3.20 28 28 A 8 A N6 B 5 U O4 1.0 2.65 3.15 29 29 B 5 U O4 A 8 A H6x 1.0 1.58 1.98 30 30 B 4 U H3 A 9 A N1 1.0 1.65 2.05 31 31 A 9 A N1 B 4 U N3 1.0 2.70 3.20 32 32 A 9 A N6 B 4 U O4 1.0 2.65 3.15 33 33 A 9 A H6y B 4 U O4 1.0 1.58 1.98 34 34 A 10 A N1 B 3 SUR N3 1.0 2.65 3.05 35 35 A 10 A N6 B 3 SUR O4 1.0 2.60 3.00 36 36 A 10 A H6y B 3 SUR O4 1.0 1.63 1.93 37 37 B 2 U H3 A 11 A N1 1.0 1.65 2.05 38 38 A 11 A N1 B 2 U N3 1.0 2.70 3.20 39 39 A 11 A N6 B 2 U O4 1.0 2.65 3.15 40 40 A 11 A H6y B 2 U O4 1.0 1.58 1.98 41 41 A 12 G H1 B 1 C N3 1.0 1.65 2.05 42 42 B 1 C N3 A 12 G N1 1.0 2.66 3.16 43 43 A 12 G H2y B 1 C O2 1.0 1.78 2.18 44 44 B 1 C O2 A 12 G N2 1.0 2.65 3.15 45 45 B 1 C H4y A 12 G O6 1.0 1.47 1.87 46 46 A 12 G O6 B 1 C N4 1.0 2.65 3.15 stop_ save_