data_nef_c17887_2lib 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_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 DG start . . 2 A 2 DT middle . . 3 A 3 DC middle . . 4 A 4 DC middle . . 5 A 5 A3A middle . . 6 A 6 DG middle . . 7 A 7 DG middle . . 8 A 8 DA middle . . 9 A 9 DC middle . . 10 A 10 DG end . . 11 B 11 DC start . . 12 B 12 DG middle . . 13 B 13 DT middle . . 14 B 14 DC middle . . 15 B 15 DC middle . . 16 B 16 DT middle . . 17 B 17 DG middle . . 18 B 18 DG middle . . 19 B 19 DA middle . . 20 B 20 DC 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 DG H1 H 1 12.923 . A 1 DG H3' H 1 4.817 0.003 A 1 DG H4' H 1 4.236 0.002 A 1 DG H5' H 1 3.839 0.000 A 1 DG H5'' H 1 3.787 0.000 A 1 DG H8 H 1 7.981 0.002 A 1 DG C1' C 13 86.500 . A 1 DG C3' C 13 77.600 . A 2 DT H1' H 1 6.195 0.002 A 2 DT H2' H 1 2.320 0.002 A 2 DT H2'' H 1 2.620 0.003 A 2 DT H3 H 1 13.957 . A 2 DT H3' H 1 4.933 0.002 A 2 DT H4' H 1 4.333 0.002 A 2 DT H5' H 1 4.176 0.000 A 2 DT H5'' H 1 4.183 0.000 A 2 DT H6 H 1 7.526 0.002 A 2 DT H7% H 1 1.352 0.002 A 2 DT C1' C 13 86.240 . A 2 DT C3' C 13 78.780 . A 2 DT C6 C 13 139.08 . A 2 DT P P 31 -0.460 . A 3 DC H1' H 1 6.036 0.004 A 3 DC H2' H 1 2.300 0.001 A 3 DC H2'' H 1 2.578 0.004 A 3 DC H3' H 1 4.841 0.003 A 3 DC H5 H 1 5.682 0.002 A 3 DC H6 H 1 7.626 0.004 A 3 DC C1' C 13 86.610 . A 3 DC C3' C 13 76.700 . A 3 DC P P 31 -0.245 . A 4 DC H1' H 1 6.070 0.003 A 4 DC H2' H 1 2.415 0.003 A 4 DC H2'' H 1 2.543 0.006 A 4 DC H3' H 1 4.881 0.004 A 4 DC H4' H 1 4.206 0.001 A 4 DC H6 H 1 7.606 0.003 A 4 DC C1' C 13 86.610 . A 4 DC C3' C 13 76.650 . A 4 DC P P 31 -0.065 . A 5 A3A H1' H 1 5.937 0.002 A 5 A3A H2' H 1 2.654 0.125 A 5 A3A H2'' H 1 2.564 0.128 A 5 A3A H3' H 1 5.017 0.002 A 5 A3A H4' H 1 4.949 0.001 A 5 A3A H5' H 1 4.140 0.000 A 5 A3A H5'' H 1 4.128 0.000 A 5 A3A H8A H 1 7.901 0.002 A 5 A3A C1' C 13 88.580 . A 5 A3A C3' C 13 78.110 . A 5 A3A C8A C 13 141.36 . A 5 A3A P P 31 0.186 . A 6 DG H1 H 1 12.880 . A 6 DG H1' H 1 5.675 0.003 A 6 DG H2' H 1 2.350 0.003 A 6 DG H2'' H 1 2.703 0.003 A 6 DG H3' H 1 4.877 0.002 A 6 DG H4' H 1 4.304 0.002 A 6 DG H5' H 1 4.091 0.000 A 6 DG H5'' H 1 4.096 0.000 A 6 DG H8 H 1 7.261 0.002 A 6 DG C1' C 13 85.120 . A 6 DG C3' C 13 79.720 . A 6 DG C8 C 13 137.91 . A 6 DG P P 31 1.123 . A 7 DG H1 H 1 12.809 . A 7 DG H1' H 1 5.544 0.008 A 7 DG H2' H 1 2.516 0.003 A 7 DG H2'' H 1 2.691 0.002 A 7 DG H3' H 1 4.949 0.002 A 7 DG H4' H 1 4.322 0.003 A 7 DG H5' H 1 4.142 0.000 A 7 DG H5'' H 1 4.109 0.000 A 7 DG H8 H 1 7.564 0.002 A 7 DG C1' C 13 83.960 . A 7 DG C3' C 13 78.400 . A 7 DG C8 C 13 137.39 . A 7 DG P P 31 -0.440 . A 8 DA H1' H 1 6.217 0.002 A 8 DA H2 H 1 7.932 0.002 A 8 DA H2' H 1 2.605 0.003 A 8 DA H2'' H 1 2.864 0.002 A 8 DA H3' H 1 5.017 0.002 A 8 DA H4' H 1 4.447 0.002 A 8 DA H5' H 1 4.201 0.000 A 8 DA H5'' H 1 4.168 0.000 A 8 DA H8 H 1 8.144 0.002 A 8 DA C1' C 13 85.120 . A 8 DA C3' C 13 78.110 . A 8 DA C8 C 13 140.97 . A 8 DA P P 31 -0.242 . A 9 DC H1' H 1 5.668 0.002 A 9 DC H2' H 1 1.854 0.002 A 9 DC H2'' H 1 2.283 0.003 A 9 DC H3' H 1 4.797 0.002 A 9 DC H4' H 1 4.120 0.002 A 9 DC H5 H 1 5.269 0.002 A 9 DC H5' H 1 4.225 0.000 A 9 DC H5'' H 1 4.218 0.000 A 9 DC H6 H 1 7.220 0.002 A 9 DC C1' C 13 85.530 . A 9 DC C3' C 13 76.050 . A 9 DC C6 C 13 142.29 . A 9 DC P P 31 -0.334 . A 10 DG H1 H 1 13.076 . A 10 DG H1' H 1 6.153 0.002 A 10 DG H2' H 1 2.582 0.002 A 10 DG H2'' H 1 2.360 0.002 A 10 DG H3' H 1 4.655 0.002 A 10 DG H4' H 1 4.175 0.002 A 10 DG H5' H 1 4.125 0.000 A 10 DG H5'' H 1 4.084 0.000 A 10 DG H8 H 1 7.888 0.003 A 10 DG C1' C 13 84.860 . A 10 DG C3' C 13 73.400 . A 10 DG C8 C 13 139.21 . B 11 DC H1' H 1 5.795 0.002 B 11 DC H2' H 1 2.074 0.002 B 11 DC H2'' H 1 2.463 0.002 B 11 DC H3' H 1 4.716 0.002 B 11 DC H4' H 1 4.080 0.002 B 11 DC H5 H 1 5.917 0.004 B 11 DC H6 H 1 7.668 0.003 B 11 DC C1' C 13 88.010 . B 11 DC C3' C 13 77.750 . B 11 DC C6 C 13 143.29 . B 11 DC P P 31 -0.027 . B 12 DG H1 H 1 12.923 . B 12 DG H1' H 1 6.045 0.007 B 12 DG H2' H 1 2.717 0.004 B 12 DG H2'' H 1 2.849 0.003 B 12 DG H3' H 1 4.994 0.003 B 12 DG H4' H 1 4.395 0.003 B 12 DG H5' H 1 4.039 0.000 B 12 DG H5'' H 1 4.124 0.000 B 12 DG H8 H 1 8.004 0.003 B 12 DG C1' C 13 84.690 . B 12 DG C3' C 13 79.720 . B 12 DG C8 C 13 138.42 . B 12 DG P P 31 -0.510 . B 13 DT H1' H 1 6.096 0.003 B 13 DT H2' H 1 2.242 0.004 B 13 DT H2'' H 1 2.578 0.002 B 13 DT H3 H 1 13.758 . B 13 DT H3' H 1 4.901 0.002 B 13 DT H4' H 1 4.281 0.003 B 13 DT H5' H 1 4.249 0.000 B 13 DT H5'' H 1 4.194 0.000 B 13 DT H6 H 1 7.321 0.003 B 13 DT H7% H 1 1.451 0.002 B 13 DT C1' C 13 85.630 . B 13 DT C3' C 13 77.780 . B 13 DT C6 C 13 142.77 . B 13 DT P P 31 -0.878 . B 14 DC H1' H 1 5.952 0.003 B 14 DC H2' H 1 2.295 0.002 B 14 DC H2'' H 1 2.500 0.003 B 14 DC H3' H 1 4.811 0.002 B 14 DC H4' H 1 4.210 0.007 B 14 DC H5 H 1 5.682 0.001 B 14 DC H5' H 1 4.150 0.000 B 14 DC H5'' H 1 4.190 0.000 B 14 DC H6 H 1 7.609 0.003 B 14 DC C1' C 13 86.680 . B 14 DC C3' C 13 76.420 . B 14 DC P P 31 -0.586 . B 15 DC H1' H 1 5.957 0.003 B 15 DC H2' H 1 2.145 0.002 B 15 DC H2'' H 1 2.587 0.002 B 15 DC H3' H 1 4.758 0.002 B 15 DC H4' H 1 4.190 0.003 B 15 DC H5 H 1 5.560 0.003 B 15 DC H5' H 1 4.124 0.000 B 15 DC H5'' H 1 4.114 0.000 B 15 DC H6 H 1 7.539 0.002 B 15 DC C1' C 13 86.910 . B 15 DC C3' C 13 76.620 . B 15 DC C6 C 13 142.78 . B 15 DC P P 31 -0.358 . B 16 DT H1' H 1 5.714 0.004 B 16 DT H2' H 1 2.316 0.003 B 16 DT H2'' H 1 2.514 0.002 B 16 DT H3 H 1 13.480 . B 16 DT H3' H 1 4.845 0.001 B 16 DT H4' H 1 4.202 0.002 B 16 DT H5' H 1 4.110 0.000 B 16 DT H5'' H 1 4.081 0.000 B 16 DT H6 H 1 7.390 0.002 B 16 DT H7% H 1 1.623 0.002 B 16 DT C1' C 13 85.810 . B 16 DT C3' C 13 77.910 . B 16 DT C6 C 13 137.98 . B 16 DT P P 31 -0.826 . B 17 DG H1 H 1 12.356 . B 17 DG H1' H 1 5.745 0.007 B 17 DG H2' H 1 2.491 0.003 B 17 DG H2'' H 1 2.732 0.003 B 17 DG H3' H 1 4.947 0.002 B 17 DG H4' H 1 4.315 0.002 B 17 DG H5' H 1 4.155 0.000 B 17 DG H5'' H 1 4.083 0.000 B 17 DG H8 H 1 7.660 0.002 B 17 DG C1' C 13 84.890 . B 17 DG C3' C 13 78.950 . B 17 DG C8 C 13 138.00 . B 17 DG P P 31 -0.648 . B 18 DG H1 H 1 12.790 . B 18 DG H1' H 1 5.579 0.004 B 18 DG H2' H 1 2.564 0.001 B 18 DG H2'' H 1 2.708 0.002 B 18 DG H3' H 1 4.962 0.002 B 18 DG H4' H 1 4.332 0.003 B 18 DG H5' H 1 4.150 0.000 B 18 DG H5'' H 1 4.135 0.000 B 18 DG H8 H 1 7.645 0.004 B 18 DG C1' C 13 84.020 . B 18 DG C3' C 13 78.530 . B 18 DG C8 C 13 137.44 . B 18 DG P P 31 -0.720 . B 19 DA H1' H 1 6.244 0.002 B 19 DA H2 H 1 8.014 0.002 B 19 DA H2' H 1 2.587 0.002 B 19 DA H2'' H 1 2.870 0.004 B 19 DA H3' H 1 4.980 0.003 B 19 DA H4' H 1 4.405 0.002 B 19 DA H5' H 1 4.207 0.000 B 19 DA H5'' H 1 4.198 0.000 B 19 DA H8 H 1 8.097 0.002 B 19 DA C1' C 13 85.120 . B 19 DA C3' C 13 77.980 . B 19 DA C8 C 13 140.77 . B 19 DA P P 31 -0.606 . B 20 DC H1' H 1 6.059 0.003 B 20 DC H2' H 1 2.083 0.029 B 20 DC H2'' H 1 2.081 0.026 B 20 DC H3' H 1 4.459 0.002 B 20 DC H4' H 1 3.999 0.002 B 20 DC H5 H 1 5.311 0.002 B 20 DC H5' H 1 4.052 0.000 B 20 DC H5'' H 1 4.058 0.000 B 20 DC H6 H 1 7.305 0.003 B 20 DC C1' C 13 86.130 . B 20 DC C3' C 13 71.080 . B 20 DC C6 C 13 138.54 . B 20 DC P P 31 -0.616 . stop_ save_ save_AMBER_distance_constraints_3 _nef_distance_restraint_list.sf_category nef_distance_restraint_list _nef_distance_restraint_list.sf_framecode AMBER_distance_constraints_3 _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 DG H8 A 1 DG H2' 1.0 2.84 5.03 2 2 A 1 DG H8 A 2 DT H6 1.0 4.89 8.23 3 3 A 2 DT H6 A 1 DG H2' 1.0 2.89 5.17 4 4 A 2 DT H6 A 2 DT H1' 1.0 3.40 5.84 5 5 A 1 DG H8 A 2 DT H7% 1.0 4.35 6.63 6 6 A 2 DT H7% A 1 DG H2'' 1.0 3.36 5.76 7 7 A 2 DT H1' A 2 DT H3' 1.0 3.73 6.63 8 8 A 2 DT H6 A 2 DT H3' 1.0 3.37 6.20 9 9 A 2 DT H1' A 2 DT H2' 1.0 2.72 5.15 10 10 A 2 DT H3' A 2 DT H2' 1.0 2.16 4.35 11 11 A 2 DT H6 A 2 DT H2'' 1.0 2.85 5.84 12 12 A 2 DT H3' A 2 DT H2'' 1.0 2.65 4.91 13 13 A 2 DT H1' A 3 DC H6 1.0 3.66 6.44 14 14 A 5 A3A H3' A 5 A3A H8A 1.0 3.81 6.43 15 15 A 5 A3A H8A A 6 DG H4' 1.0 4.05 7.23 16 16 A 6 DG H4' A 6 DG H1' 1.0 3.08 5.30 17 17 A 5 A3A H8A A 6 DG H8 1.0 3.68 5.99 18 18 A 5 A3A H3' A 6 DG H8 1.0 4.04 7.31 19 19 A 6 DG H4' A 6 DG H8 1.0 4.38 7.30 20 20 A 6 DG H1' A 6 DG H8 1.0 3.65 6.72 21 21 A 6 DG H8 A 6 DG H3' 1.0 3.96 7.28 22 22 A 6 DG H4' A 6 DG H2' 1.0 3.38 6.20 23 23 A 6 DG H8 A 6 DG H2' 1.0 2.32 4.47 24 24 A 6 DG H3' A 6 DG H2' 1.0 1.91 4.41 25 25 A 6 DG H1' A 6 DG H2' 1.0 2.15 4.29 26 26 A 6 DG H8 A 6 DG H2' 1.0 2.91 6.16 27 27 A 6 DG H3' A 6 DG H2' 1.0 2.54 5.05 28 28 A 6 DG H1' A 7 DG H8 1.0 4.07 6.94 29 29 A 6 DG H8 A 7 DG H8 1.0 4.72 8.09 30 30 A 6 DG H3' A 7 DG H8 1.0 3.99 7.28 31 31 A 6 DG H2' A 7 DG H8 1.0 3.53 6.39 32 32 A 7 DG H8 A 7 DG H3' 1.0 3.99 7.50 33 33 A 7 DG H8 A 7 DG H2' 1.0 2.30 4.47 34 34 A 7 DG H8 A 8 DA H8 1.0 4.66 8.13 35 35 A 7 DG H3' A 8 DA H8 1.0 4.03 6.90 36 36 A 7 DG H2' A 8 DA H8 1.0 3.15 6.12 37 37 A 8 DA H8 A 8 DA H1' 1.0 3.61 6.37 38 38 A 8 DA H1' A 8 DA H3' 1.0 4.16 7.13 39 39 A 8 DA H8 A 8 DA H3' 1.0 3.73 7.36 40 40 A 8 DA H8 A 8 DA H2' 1.0 2.19 4.31 41 41 A 8 DA H3' A 8 DA H2' 1.0 2.17 4.33 42 42 A 8 DA H8 A 8 DA H2' 1.0 3.11 6.51 43 43 A 8 DA H1' A 9 DC H6 1.0 3.43 6.05 44 44 A 8 DA H8 A 9 DC H6 1.0 4.23 7.63 45 45 A 8 DA H3' A 9 DC H6 1.0 3.65 6.21 46 46 A 8 DA H2' A 9 DC H6 1.0 3.05 5.66 47 47 A 8 DA H2' A 9 DC H6 1.0 2.35 4.50 48 48 A 8 DA H1' A 9 DC H5 1.0 4.50 8.16 49 49 A 8 DA H8 A 9 DC H5 1.0 3.39 5.73 50 50 A 8 DA H2' A 9 DC H5 1.0 3.16 6.11 51 51 A 8 DA H2' A 9 DC H5 1.0 3.19 6.38 52 52 A 9 DC H6 A 9 DC H3' 1.0 3.25 6.13 53 53 A 9 DC H6 A 9 DC H2' 1.0 2.11 4.25 54 54 A 9 DC H5 A 9 DC H2' 1.0 3.82 6.88 55 55 A 9 DC H3' A 9 DC H2' 1.0 2.41 4.81 56 56 A 9 DC H6 A 9 DC H2' 1.0 3.37 6.49 57 57 A 9 DC H6 A 10 DG H8 1.0 4.42 7.42 58 58 A 9 DC H3' A 10 DG H8 1.0 4.18 6.86 59 59 A 9 DC H2' A 10 DG H8 1.0 3.30 5.69 60 60 A 9 DC H2' A 10 DG H8 1.0 3.36 5.85 61 61 A 10 DG H8 A 10 DG H1' 1.0 3.65 6.29 62 62 A 10 DG H1' A 10 DG H3' 1.0 4.09 6.92 63 63 A 10 DG H8 A 10 DG H3' 1.0 3.51 6.28 64 64 A 10 DG H1' A 10 DG H2' 1.0 2.69 5.49 65 65 A 10 DG H8 A 10 DG H2' 1.0 2.33 4.45 66 66 A 10 DG H3' A 10 DG H2' 1.0 2.44 4.61 67 67 B 11 DC H3' B 11 DC H6 1.0 3.43 6.19 68 68 B 11 DC H6 B 11 DC H2' 1.0 2.31 4.41 69 69 B 11 DC H3' B 12 DG H8 1.0 3.69 6.20 70 70 B 11 DC H2' B 12 DG H8 1.0 3.26 5.65 71 71 B 12 DG H3' B 12 DG H1' 1.0 3.73 6.41 72 72 B 12 DG H8 B 12 DG H3' 1.0 3.92 6.91 73 73 B 12 DG H8 B 12 DG H2' 1.0 2.31 4.45 74 74 B 12 DG H8 B 12 DG H2' 1.0 3.23 6.59 75 75 B 12 DG H1' B 13 DT H6 1.0 3.21 5.53 76 76 B 12 DG H8 B 13 DT H6 1.0 4.31 7.66 77 77 B 12 DG H3' B 13 DT H6 1.0 3.76 7.20 78 78 B 12 DG H2' B 13 DT H6 1.0 3.16 5.83 79 79 B 13 DT H6 B 13 DT H1' 1.0 3.23 5.95 80 80 B 12 DG H1' B 13 DT H7% 1.0 4.19 6.77 81 81 B 12 DG H8 B 13 DT H7% 1.0 3.81 6.03 82 82 B 12 DG H3' B 13 DT H7% 1.0 4.66 7.69 83 83 B 12 DG H2' B 13 DT H7% 1.0 3.39 5.82 84 84 B 13 DT H7% B 12 DG H2'' 1.0 3.43 5.74 85 85 B 13 DT H1' B 13 DT H3' 1.0 3.47 6.79 86 86 B 13 DT H6 B 13 DT H3' 1.0 3.39 6.92 87 87 B 13 DT H1' B 13 DT H2' 1.0 2.84 5.29 88 88 B 13 DT H6 B 13 DT H2' 1.0 1.98 4.14 89 89 B 13 DT H3' B 13 DT H2' 1.0 2.13 4.33 90 90 B 13 DT H1' B 14 DC H6 1.0 3.89 6.74 91 91 B 13 DT H6 B 14 DC H6 1.0 4.29 8.40 92 92 B 14 DC H6 B 14 DC H3' 1.0 3.16 5.88 93 93 B 14 DC H3' B 14 DC H2' 1.0 2.98 5.52 94 94 B 14 DC H3' B 15 DC H6 1.0 3.52 6.49 95 95 B 15 DC H6 B 14 DC H2' 1.0 2.47 4.68 96 96 B 15 DC H6 B 15 DC H2' 1.0 2.18 4.31 97 97 B 15 DC H2' B 16 DT H6 1.0 2.61 4.94 98 98 B 15 DC H2' B 16 DT H6 1.0 2.52 4.75 99 99 B 16 DT H6 B 16 DT H1' 1.0 3.24 5.96 100 100 B 15 DC H6 B 16 DT H7% 1.0 3.75 6.07 101 101 B 16 DT H1' B 16 DT H3' 1.0 3.61 6.62 102 102 B 16 DT H6 B 16 DT H3' 1.0 3.88 7.50 103 103 B 16 DT H1' B 16 DT H2' 1.0 2.68 5.74 104 104 B 16 DT H6 B 16 DT H2' 1.0 1.96 4.12 105 105 B 16 DT H1' B 16 DT H2'' 1.0 2.00 4.31 106 106 B 16 DT H6 B 16 DT H2'' 1.0 2.86 6.69 107 107 B 16 DT H1' B 17 DG H8 1.0 4.00 7.20 108 108 B 16 DT H6 B 17 DG H8 1.0 4.16 7.61 109 109 B 16 DT H3' B 17 DG H8 1.0 5.18 9.18 110 110 B 16 DT H2' B 17 DG H8 1.0 3.99 7.70 111 111 B 17 DG H3' B 17 DG H1' 1.0 4.01 6.78 112 112 B 17 DG H8 B 17 DG H3' 1.0 3.61 6.57 113 113 B 19 DA H8 B 18 DG H8 1.0 4.71 7.80 114 114 B 19 DA H8 B 19 DA H1' 1.0 3.70 6.17 115 115 B 19 DA H1' B 19 DA H3' 1.0 3.76 6.67 116 116 B 19 DA H8 B 19 DA H2' 1.0 3.35 6.41 117 117 B 19 DA H1' B 20 DC H6 1.0 3.64 6.69 118 118 B 19 DA H8 B 20 DC H6 1.0 4.21 7.53 119 119 B 19 DA H1' B 20 DC H5 1.0 4.37 7.79 120 120 B 19 DA H8 B 20 DC H5 1.0 3.41 5.71 121 121 B 20 DC H5 B 19 DA H2' 1.0 3.56 7.66 122 122 B 20 DC H6 B 20 DC H3' 1.0 3.04 5.60 123 123 B 20 DC H6 B 20 DC H2' 1.0 2.10 4.31 124 124 B 20 DC H3' B 20 DC H2' 1.0 2.53 4.70 125 125 B 20 DC H6 B 20 DC H2' 1.0 2.90 6.18 126 126 B 20 DC H5 B 20 DC H2' 1.0 3.67 6.85 127 127 A 1 DG H8 A 1 DG H1' 1.0 3.75 6.43 128 128 A 2 DT H6 A 1 DG H1' 1.0 3.55 6.36 129 129 A 2 DT H7% A 1 DG H1' 1.0 4.76 7.79 130 130 A 1 DG H8 A 1 DG H3' 1.0 4.30 7.50 131 131 A 1 DG H3' A 1 DG H2' 1.0 2.72 4.86 132 132 A 2 DT H6 A 1 DG H3' 1.0 3.59 6.41 133 133 A 2 DT H1' A 2 DT H4' 1.0 2.86 5.00 134 134 A 2 DT H6 A 2 DT H4' 1.0 3.88 6.54 135 135 A 2 DT H2' A 2 DT H4' 1.0 3.25 6.16 136 136 A 2 DT H2'' A 2 DT H4' 1.0 3.09 6.36 137 137 A 1 DG H8 A 1 DG H2' 1.0 4.66 8.46 138 138 A 2 DT H6 A 1 DG H2' 1.0 2.74 4.94 139 139 A 2 DT H7% A 1 DG H2' 1.0 3.53 6.45 140 140 A 3 DC H6 A 3 DC H3' 1.0 3.20 5.76 141 141 A 3 DC H3' A 3 DC H2' 1.0 2.64 5.08 142 142 A 4 DC H1' A 4 DC H2' 1.0 3.05 5.65 143 143 A 4 DC H2' A 4 DC H6 1.0 2.06 4.24 144 144 A 4 DC H1' A 4 DC H6 1.0 3.22 5.42 145 145 A 4 DC H2' A 5 A3A H1' 1.0 2.61 5.50 146 146 A 5 A3A H8A A 5 A3A H1' 1.0 3.36 5.62 147 147 A 5 A3A H3' A 5 A3A H1' 1.0 3.57 6.44 148 148 A 6 DG H8 A 5 A3A H1' 1.0 4.30 7.34 149 149 A 8 DA H1' A 8 DA H4' 1.0 3.01 5.15 150 150 A 8 DA H8 A 8 DA H4' 1.0 4.31 7.04 151 151 A 8 DA H3' A 8 DA H4' 1.0 2.76 4.96 152 152 A 8 DA H2' A 8 DA H4' 1.0 3.59 6.54 153 153 A 8 DA H2' A 8 DA H4' 1.0 3.18 5.97 154 154 A 7 DG H8 A 7 DG H1' 1.0 3.91 6.83 155 155 A 7 DG H2' A 7 DG H1' 1.0 2.37 4.76 156 156 A 8 DA H8 A 7 DG H1' 1.0 3.15 5.38 157 157 A 7 DG H2' A 8 DA H8 1.0 2.57 4.79 158 158 A 9 DC H6 A 9 DC H1' 1.0 3.32 5.77 159 159 A 9 DC H3' A 9 DC H1' 1.0 3.94 6.76 160 160 A 9 DC H2' A 9 DC H1' 1.0 3.13 5.71 161 161 A 10 DG H8 A 9 DC H1' 1.0 3.80 6.36 162 162 A 10 DG H1' A 10 DG H4' 1.0 3.11 5.28 163 163 A 10 DG H8 A 10 DG H4' 1.0 4.40 7.04 164 164 B 11 DC H6 B 11 DC H1' 1.0 2.94 5.14 165 165 B 11 DC H3' B 11 DC H1' 1.0 3.83 6.48 166 166 B 12 DG H8 B 11 DC H1' 1.0 3.97 6.88 167 167 B 12 DG H1' B 12 DG H4' 1.0 3.00 5.18 168 168 B 12 DG H8 B 12 DG H4' 1.0 4.43 7.34 169 169 B 12 DG H2' B 12 DG H4' 1.0 3.37 5.85 170 170 B 11 DC H2' B 12 DG H8 1.0 3.10 5.43 171 171 B 11 DC H2' B 11 DC H1' 1.0 2.27 4.51 172 172 B 13 DT H1' B 13 DT H4' 1.0 2.80 4.92 173 173 B 13 DT H6 B 13 DT H4' 1.0 3.76 6.29 174 174 B 13 DT H2' B 13 DT H4' 1.0 3.11 5.90 175 175 B 14 DC H6 B 14 DC H1' 1.0 3.04 5.23 176 176 B 14 DC H3' B 14 DC H1' 1.0 3.77 6.64 177 177 B 14 DC H1' B 14 DC H2' 1.0 3.06 5.98 178 178 B 15 DC H2' B 15 DC H1' 1.0 3.06 6.22 179 179 B 15 DC H2' B 15 DC H1' 1.0 2.02 4.28 180 180 B 16 DT H6 B 15 DC H1' 1.0 3.53 6.91 181 181 B 16 DT H7% B 15 DC H1' 1.0 4.47 7.46 182 182 B 16 DT H1' B 16 DT H4' 1.0 2.81 4.97 183 183 B 16 DT H6 B 16 DT H4' 1.0 3.62 5.98 184 184 B 14 DC H6 B 15 DC H5 1.0 3.34 5.62 185 185 B 14 DC H3' B 15 DC H5 1.0 4.03 6.96 186 186 B 14 DC H2' B 15 DC H5 1.0 3.17 5.44 187 187 B 15 DC H2' B 15 DC H5 1.0 3.90 7.28 188 188 B 16 DT H7% B 15 DC H5 1.0 3.90 6.10 189 189 B 17 DG H1' B 17 DG H4' 1.0 2.90 5.05 190 190 B 17 DG H8 B 17 DG H4' 1.0 4.00 6.62 191 191 B 18 DG H8 B 18 DG H1' 1.0 3.67 6.16 192 192 B 18 DG H1' B 18 DG H3' 1.0 3.42 6.38 193 193 B 19 DA H8 B 18 DG H1' 1.0 3.16 5.35 194 194 B 19 DA H1' B 19 DA H4' 1.0 3.04 5.20 195 195 B 19 DA H8 B 19 DA H4' 1.0 4.13 7.06 196 196 B 19 DA H8 B 18 DG H2' 1.0 2.62 4.76 197 197 A 2 DT H6 A 3 DC H5 1.0 3.34 5.67 198 198 A 2 DT H7% A 3 DC H5 1.0 4.45 6.75 199 199 A 8 DA H1' A 8 DA H2 1.0 3.97 6.40 200 200 A 9 DC H1' A 8 DA H2 1.0 3.81 6.40 201 201 B 14 DC H1' A 8 DA H2 1.0 3.82 6.36 202 202 A 8 DA H1' A 9 DC H4' 1.0 3.23 5.62 203 203 A 9 DC H6 A 9 DC H4' 1.0 3.57 6.08 204 204 A 9 DC H2' A 9 DC H4' 1.0 3.13 6.17 205 205 A 10 DG H1' A 10 DG H2' 1.0 2.20 4.40 206 206 A 10 DG H8 A 10 DG H2' 1.0 3.97 8.07 207 207 A 10 DG H3' A 10 DG H2' 1.0 2.79 5.86 208 208 B 13 DT H1' B 14 DC H5 1.0 3.96 7.25 209 209 B 13 DT H6 B 14 DC H5 1.0 3.46 5.81 210 210 B 13 DT H7% B 14 DC H5 1.0 4.31 6.58 211 211 B 15 DC H6 B 15 DC H3' 1.0 4.07 6.89 212 212 B 15 DC H2' B 15 DC H3' 1.0 2.88 5.37 213 213 B 17 DG H1' B 17 DG H2' 1.0 2.21 4.34 214 214 B 18 DG H1' B 18 DG H2' 1.0 2.62 5.48 215 215 A 2 DT H1' B 19 DA H2 1.0 4.33 7.09 216 216 B 19 DA H1' B 19 DA H2 1.0 3.95 6.35 217 217 B 20 DC H5 B 19 DA H2' 1.0 3.21 5.86 218 218 B 19 DA H4' B 19 DA H2' 1.0 3.56 6.30 219 219 A 1 DG H8 A 1 DG H4' 1.0 4.64 7.91 220 220 A 3 DC H6 A 3 DC H1' 1.0 3.39 5.70 221 221 A 4 DC H6 A 3 DC H1' 1.0 3.29 5.60 222 222 A 3 DC H1' A 3 DC H2' 1.0 2.93 5.26 223 223 A 4 DC H2' A 4 DC H4' 1.0 3.10 5.74 224 224 A 4 DC H2' A 4 DC H3' 1.0 2.20 4.48 225 225 A 5 A3A H8A A 5 A3A H4' 1.0 2.39 4.67 226 226 A 6 DG H8 A 5 A3A H4' 1.0 4.35 7.92 227 227 A 5 A3A H1' A 5 A3A H4' 1.0 3.71 6.05 228 228 A 7 DG H8 A 7 DG H4' 1.0 4.34 7.09 229 229 A 8 DA H8 A 7 DG H4' 1.0 4.43 7.20 230 230 A 7 DG H1' A 7 DG H4' 1.0 2.89 5.10 231 231 B 11 DC H1' B 11 DC H4' 1.0 3.44 5.64 232 232 B 15 DC H2' B 15 DC H4' 1.0 3.16 5.50 233 233 B 18 DG H8 B 18 DG H4' 1.0 4.05 6.83 234 234 B 19 DA H8 B 18 DG H4' 1.0 4.34 7.28 235 235 B 18 DG H1' B 18 DG H4' 1.0 3.00 5.18 236 236 B 20 DC H6 B 20 DC H1' 1.0 3.50 5.99 237 237 B 20 DC H3' B 20 DC H1' 1.0 4.16 7.02 238 238 B 13 DT H6 B 13 DT H2'' 1.0 2.44 5.89 239 239 B 20 DC H6 B 20 DC H4' 1.0 3.98 6.92 240 240 B 20 DC H1' B 20 DC H4' 1.0 2.72 4.92 stop_ save_ save_AMBER_distance_constraints_5 _nef_distance_restraint_list.sf_category nef_distance_restraint_list _nef_distance_restraint_list.sf_framecode AMBER_distance_constraints_5 _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 DG H1 A 2 DT H3 1.0 2.0 6.0 2 2 A 2 DT H3 B 18 DG H1 1.0 2.0 6.0 3 3 B 12 DG H1 B 13 DT H3 1.0 2.0 6.0 4 4 B 13 DT H3 A 7 DG H1 1.0 2.0 6.0 5 5 B 18 DG H1 B 17 DG H1 1.0 2.0 6.0 6 6 B 19 DA H2 A 2 DT H3 1.0 2.0 6.0 7 7 A 8 DA H2 B 13 DT H3 1.0 2.0 6.0 8 8 A 5 A3A H2A A 6 DG H1 1.0 2.0 6.0 9 9 B 17 DG H1 A 5 A3A H2A 1.0 2.0 6.0 10 10 A 8 DA H2 B 12 DG H1 1.0 2.0 6.0 11 11 A 8 DA H2 A 7 DG H1 1.0 2.0 6.0 12 12 B 19 DA H2 B 18 DG H1 1.0 2.0 6.0 13 13 A 1 DG H1 B 20 DC H4x 1.0 2.0 6.0 14 14 A 1 DG H1 B 20 DC H4y 1.0 2.0 6.0 15 15 B 12 DG H1 A 9 DC H4x 1.0 2.0 6.0 16 16 B 12 DG H1 A 9 DC H4y 1.0 2.0 6.0 17 17 A 6 DG H1 B 15 DC H4x 1.0 2.0 6.0 18 18 A 6 DG H1 B 15 DC H4y 1.0 2.0 6.0 19 19 A 7 DG H1 B 14 DC H4x 1.0 2.0 6.0 20 20 A 7 DG H1 B 14 DC H4y 1.0 2.0 6.0 21 21 B 18 DG H1 A 3 DC H4x 1.0 2.0 6.0 22 22 B 18 DG H1 A 3 DC H4y 1.0 2.0 6.0 23 23 B 17 DG H1 A 4 DC H4x 1.0 2.0 6.0 24 24 B 17 DG H1 A 4 DC H4y 1.0 2.0 6.0 25 25 A 5 A3A H2A B 15 DC H4x 1.0 2.0 6.0 26 26 A 5 A3A H2A B 15 DC H4y 1.0 2.0 6.0 27 27 A 5 A3A H2A A 4 DC H4x 1.0 2.0 6.0 stop_ save_ save_AMBER_distance_constraints_4 _nef_distance_restraint_list.sf_category nef_distance_restraint_list _nef_distance_restraint_list.sf_framecode AMBER_distance_constraints_4 _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 DG O6 B 20 DC N4 1.0 2.81 3.51 2 2 A 1 DG N1 B 20 DC N3 1.0 2.85 3.55 3 3 A 1 DG N2 B 20 DC O2 1.0 2.76 3.46 4 4 B 18 DG O6 A 3 DC N4 1.0 2.81 3.51 5 5 B 18 DG N1 A 3 DC N3 1.0 2.85 3.55 6 6 B 18 DG N2 A 3 DC O2 1.0 2.76 3.46 7 7 B 17 DG O6 A 4 DC N4 1.0 2.81 3.51 8 8 B 17 DG N1 A 4 DC N3 1.0 2.85 3.55 9 9 B 17 DG N2 A 4 DC O2 1.0 2.76 3.46 10 10 A 6 DG O6 B 15 DC N4 1.0 2.81 3.51 11 11 A 6 DG N1 B 15 DC N3 1.0 2.85 3.55 12 12 A 6 DG N2 B 15 DC O2 1.0 2.76 3.46 13 13 A 7 DG O6 B 14 DC N4 1.0 2.81 3.51 14 14 A 7 DG N1 B 14 DC N3 1.0 2.85 3.55 15 15 A 7 DG N2 B 14 DC O2 1.0 2.76 3.46 16 16 B 12 DG O6 A 9 DC N4 1.0 2.81 3.51 17 17 B 12 DG N1 A 9 DC N3 1.0 2.85 3.55 18 18 B 12 DG N2 A 9 DC O2 1.0 2.76 3.46 19 19 A 10 DG O6 B 11 DC N4 1.0 2.81 3.51 20 20 A 10 DG N1 B 11 DC N3 1.0 2.85 3.55 21 21 A 10 DG N2 B 11 DC O2 1.0 2.76 3.46 22 22 B 19 DA N1 A 2 DT N3 1.0 2.72 3.42 23 23 B 19 DA N6 A 2 DT O4 1.0 2.85 3.55 24 24 A 8 DA N1 B 13 DT N3 1.0 2.72 3.42 25 25 A 8 DA N6 B 13 DT O4 1.0 2.85 3.55 stop_ save_ save_AMBER_dihedral_2 _nef_dihedral_restraint_list.sf_category nef_dihedral_restraint_list _nef_dihedral_restraint_list.sf_framecode AMBER_dihedral_2 _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 1 DG C4' A 1 DG O4' A 1 DG C1' A 1 DG C2' 1.0 -49.8 -19.8 NU0 2 2 A 1 DG O4' A 1 DG C1' A 1 DG C2' A 1 DG C3' 1.0 10.2 40.2 NU1 3 3 A 1 DG C1' A 1 DG C2' A 1 DG C3' A 1 DG C4' 1.0 -31.1 11.9 NU2 4 4 A 1 DG C2' A 1 DG C3' A 1 DG C4' A 1 DG O4' 1.0 -31.1 11.9 NU3 5 5 A 1 DG C3' A 1 DG C4' A 1 DG O4' A 1 DG C1' 1.0 10.2 40.2 NU4 6 6 A 2 DT C4' A 2 DT O4' A 2 DT C1' A 2 DT C2' 1.0 -43.5 -13.5 NU0 7 7 A 2 DT O4' A 2 DT C1' A 2 DT C2' A 2 DT C3' 1.0 22.6 52.6 NU1 8 8 A 2 DT C1' A 2 DT C2' A 2 DT C3' A 2 DT C4' 1.0 -46.9 -16.9 NU2 9 9 A 2 DT C2' A 2 DT C3' A 2 DT C4' A 2 DT O4' 1.0 -0.7 29.3 NU3 10 10 A 2 DT C3' A 2 DT C4' A 2 DT O4' A 2 DT C1' 1.0 -6.2 23.8 NU4 11 11 A 3 DC C4' A 3 DC O4' A 3 DC C1' A 3 DC C2' 1.0 -42.8 -12.8 NU0 12 12 A 3 DC O4' A 3 DC C1' A 3 DC C2' A 3 DC C3' 1.0 22.0 52.0 NU1 13 13 A 3 DC C1' A 3 DC C2' A 3 DC C3' A 3 DC C4' 1.0 -46.1 -16.1 NU2 14 14 A 3 DC C2' A 3 DC C3' A 3 DC C4' A 3 DC O4' 1.0 -1.0 29.0 NU3 15 15 A 3 DC C3' A 3 DC C4' A 3 DC O4' A 3 DC C1' 1.0 -6.4 23.6 NU4 16 16 A 4 DC C4' A 4 DC O4' A 4 DC C1' A 4 DC C2' 1.0 -44.6 -14.6 NU0 17 17 A 4 DC O4' A 4 DC C1' A 4 DC C2' A 4 DC C3' 1.0 22.6 52.6 NU1 18 18 A 4 DC C1' A 4 DC C2' A 4 DC C3' A 4 DC C4' 1.0 -44.6 -14.6 NU2 19 19 A 4 DC C2' A 4 DC C3' A 4 DC C4' A 4 DC O4' 1.0 -3.7 26.3 NU3 20 20 A 4 DC C3' A 4 DC C4' A 4 DC O4' A 4 DC C1' 1.0 -3.7 26.3 NU4 21 21 A 6 DG C4' A 6 DG O4' A 6 DG C1' A 6 DG C2' 1.0 -50.4 -20.4 NU0 22 22 A 6 DG O4' A 6 DG C1' A 6 DG C2' A 6 DG C3' 1.0 9.9 39.9 NU1 23 23 A 6 DG C1' A 6 DG C2' A 6 DG C3' A 6 DG C4' 1.0 -21.0 10.0 NU2 24 24 A 6 DG C2' A 6 DG C3' A 6 DG C4' A 6 DG O4' 1.0 -31.0 -1.0 NU3 25 25 A 6 DG C3' A 6 DG C4' A 6 DG O4' A 6 DG C1' 1.0 16.3 46.3 NU4 26 26 A 7 DG C4' A 7 DG O4' A 7 DG C1' A 7 DG C2' 1.0 -43.5 -13.5 NU0 27 27 A 7 DG O4' A 7 DG C1' A 7 DG C2' A 7 DG C3' 1.0 21.8 51.8 NU1 28 28 A 7 DG C1' A 7 DG C2' A 7 DG C3' A 7 DG C4' 1.0 -43.4 -13.4 NU2 29 29 A 7 DG C2' A 7 DG C3' A 7 DG C4' A 7 DG O4' 1.0 -4.1 25.9 NU3 30 30 A 7 DG C3' A 7 DG C4' A 7 DG O4' A 7 DG C1' 1.0 -4.1 25.9 NU4 31 31 A 8 DA C4' A 8 DA O4' A 8 DA C1' A 8 DA C2' 1.0 -37.7 0.0 NU0 32 32 A 8 DA O4' A 8 DA C1' A 8 DA C2' A 8 DA C3' 1.0 15.6 45.6 NU1 33 33 A 8 DA C1' A 8 DA C2' A 8 DA C3' A 8 DA C4' 1.0 -43.9 -13.9 NU2 34 34 A 8 DA C2' A 8 DA C3' A 8 DA C4' A 8 DA O4' 1.0 -4.0 36.6 NU3 35 35 A 8 DA C3' A 8 DA C4' A 8 DA O4' A 8 DA C1' 1.0 -22.6 25.8 NU4 36 36 A 9 DC C4' A 9 DC O4' A 9 DC C1' A 9 DC C2' 1.0 -48.1 -18.1 NU0 37 37 A 9 DC O4' A 9 DC C1' A 9 DC C2' A 9 DC C3' 1.0 19.8 49.8 NU1 38 38 A 9 DC C1' A 9 DC C2' A 9 DC C3' A 9 DC C4' 1.0 -37.9 -7.9 NU2 39 39 A 9 DC C2' A 9 DC C3' A 9 DC C4' A 9 DC O4' 1.0 -12.5 17.5 NU3 40 40 A 9 DC C3' A 9 DC C4' A 9 DC O4' A 9 DC C1' 1.0 3.9 33.9 NU4 41 41 A 10 DG C4' A 10 DG O4' A 10 DG C1' A 10 DG C2' 1.0 -45.2 -15.2 NU0 42 42 A 10 DG O4' A 10 DG C1' A 10 DG C2' A 10 DG C3' 1.0 22.6 52.6 NU1 43 43 A 10 DG C1' A 10 DG C2' A 10 DG C3' A 10 DG C4' 1.0 -44.4 -14.4 NU2 44 44 A 10 DG C2' A 10 DG C3' A 10 DG C4' A 10 DG O4' 1.0 -4.2 25.8 NU3 45 45 A 10 DG C3' A 10 DG C4' A 10 DG O4' A 10 DG C1' 1.0 -3.0 27.0 NU4 46 46 B 11 DC C4' B 11 DC O4' B 11 DC C1' B 11 DC C2' 1.0 -41.1 -11.1 NU0 47 47 B 11 DC O4' B 11 DC C1' B 11 DC C2' B 11 DC C3' 1.0 20.8 50.8 NU1 48 48 B 11 DC C1' B 11 DC C2' B 11 DC C3' B 11 DC C4' 1.0 -44.7 -14.7 NU2 49 49 B 11 DC C2' B 11 DC C3' B 11 DC C4' B 11 DC O4' 1.0 -2.0 29.1 NU3 50 50 B 11 DC C3' B 11 DC C4' B 11 DC O4' B 11 DC C1' 1.0 -8.6 24.2 NU4 51 51 B 12 DG C4' B 12 DG O4' B 12 DG C1' B 12 DG C2' 1.0 -39.1 -9.1 NU0 52 52 B 12 DG O4' B 12 DG C1' B 12 DG C2' B 12 DG C3' 1.0 19.8 49.8 NU1 53 53 B 12 DG C1' B 12 DG C2' B 12 DG C3' B 12 DG C4' 1.0 -45.8 -15.8 NU2 54 54 B 12 DG C2' B 12 DG C3' B 12 DG C4' B 12 DG O4' 1.0 0.7 31.1 NU3 55 55 B 12 DG C3' B 12 DG C4' B 12 DG O4' B 12 DG C1' 1.0 -11.8 22.1 NU4 56 56 B 13 DT C4' B 13 DT O4' B 13 DT C1' B 13 DT C2' 1.0 -27.2 12.5 NU0 57 57 B 13 DT O4' B 13 DT C1' B 13 DT C2' B 13 DT C3' 1.0 9.7 39.7 NU1 58 58 B 13 DT C1' B 13 DT C2' B 13 DT C3' B 13 DT C4' 1.0 -49.6 -19.6 NU2 59 59 B 13 DT C2' B 13 DT C3' B 13 DT C4' B 13 DT O4' 1.0 13.0 43.0 NU3 60 60 B 13 DT C3' B 13 DT C4' B 13 DT O4' B 13 DT C1' 1.0 -31.5 6.0 NU4 61 61 B 14 DC C4' B 14 DC O4' B 14 DC C1' B 14 DC C2' 1.0 -36.5 -6.5 NU0 62 62 B 14 DC O4' B 14 DC C1' B 14 DC C2' B 14 DC C3' 1.0 18.1 48.1 NU1 63 63 B 14 DC C1' B 14 DC C2' B 14 DC C3' B 14 DC C4' 1.0 -45.8 -15.8 NU2 64 64 B 14 DC C2' B 14 DC C3' B 14 DC C4' B 14 DC O4' 1.0 0.7 34.0 NU3 65 65 B 14 DC C3' B 14 DC C4' B 14 DC O4' B 14 DC C1' 1.0 -16.8 22.1 NU4 66 66 B 15 DC C4' B 15 DC O4' B 15 DC C1' B 15 DC C2' 1.0 -44.7 -14.7 NU0 67 67 B 15 DC O4' B 15 DC C1' B 15 DC C2' B 15 DC C3' 1.0 20.2 50.2 NU1 68 68 B 15 DC C1' B 15 DC C2' B 15 DC C3' B 15 DC C4' 1.0 -40.2 -10.2 NU2 69 69 B 15 DC C2' B 15 DC C3' B 15 DC C4' B 15 DC O4' 1.0 -10.6 24.2 NU3 70 70 B 15 DC C3' B 15 DC C4' B 15 DC O4' B 15 DC C1' 1.0 -1.9 30.3 NU4 71 71 B 16 DT C4' B 16 DT O4' B 16 DT C1' B 16 DT C2' 1.0 -40.2 -10.2 NU0 72 72 B 16 DT O4' B 16 DT C1' B 16 DT C2' B 16 DT C3' 1.0 19.2 49.2 NU1 73 73 B 16 DT C1' B 16 DT C2' B 16 DT C3' B 16 DT C4' 1.0 -39.2 -9.2 NU2 74 74 B 16 DT C2' B 16 DT C3' B 16 DT C4' B 16 DT O4' 1.0 -13.8 31.1 NU3 75 75 B 16 DT C3' B 16 DT C4' B 16 DT O4' B 16 DT C1' 1.0 -11.8 32.3 NU4 76 76 B 17 DG C4' B 17 DG O4' B 17 DG C1' B 17 DG C2' 1.0 -35.5 -5.5 NU0 77 77 B 17 DG O4' B 17 DG C1' B 17 DG C2' B 17 DG C3' 1.0 19.8 49.8 NU1 78 78 B 17 DG C1' B 17 DG C2' B 17 DG C3' B 17 DG C4' 1.0 -50.8 -20.8 NU2 79 79 B 17 DG C2' B 17 DG C3' B 17 DG C4' B 17 DG O4' 1.0 8.1 38.1 NU3 80 80 B 17 DG C3' B 17 DG C4' B 17 DG O4' B 17 DG C1' 1.0 -16.6 13.4 NU4 81 81 B 18 DG C4' B 18 DG O4' B 18 DG C1' B 18 DG C2' 1.0 -42.0 -12.0 NU0 82 82 B 18 DG O4' B 18 DG C1' B 18 DG C2' B 18 DG C3' 1.0 21.3 51.3 NU1 83 83 B 18 DG C1' B 18 DG C2' B 18 DG C3' B 18 DG C4' 1.0 -44.5 -14.5 NU2 84 84 B 18 DG C2' B 18 DG C3' B 18 DG C4' B 18 DG O4' 1.0 -2.2 27.8 NU3 85 85 B 18 DG C3' B 18 DG C4' B 18 DG O4' B 18 DG C1' 1.0 -6.6 24.2 NU4 86 86 B 19 DA C4' B 19 DA O4' B 19 DA C1' B 19 DA C2' 1.0 -40.2 -10.2 NU0 87 87 B 19 DA O4' B 19 DA C1' B 19 DA C2' B 19 DA C3' 1.0 19.8 49.8 NU1 88 88 B 19 DA C1' B 19 DA C2' B 19 DA C3' B 19 DA C4' 1.0 -40.8 -10.8 NU2 89 89 B 19 DA C2' B 19 DA C3' B 19 DA C4' B 19 DA O4' 1.0 -10.6 31.1 NU3 90 90 B 19 DA C3' B 19 DA C4' B 19 DA O4' B 19 DA C1' 1.0 -11.8 30.3 NU4 91 91 B 20 DC C4' B 20 DC O4' B 20 DC C1' B 20 DC C2' 1.0 -47.9 -17.9 NU0 92 92 B 20 DC O4' B 20 DC C1' B 20 DC C2' B 20 DC C3' 1.0 15.8 45.8 NU1 93 93 B 20 DC C1' B 20 DC C2' B 20 DC C3' B 20 DC C4' 1.0 -34.3 -0.7 NU2 94 94 B 20 DC C2' B 20 DC C3' B 20 DC C4' B 20 DC O4' 1.0 -22.1 17.5 NU3 95 95 B 20 DC C3' B 20 DC C4' B 20 DC O4' B 20 DC C1' 1.0 6.1 36.4 NU4 96 96 A 1 DG C4' A 1 DG C3' A 1 DG O3' A 2 DT P 1.0 174.0 214.0 EPSILON 97 97 A 2 DT C4' A 2 DT C3' A 2 DT O3' A 3 DC P 1.0 178.0 198.0 EPSILON 98 98 A 3 DC C4' A 3 DC C3' A 3 DC O3' A 4 DC P 1.0 172.0 212.0 EPSILON 99 99 A 4 DC C4' A 4 DC C3' A 4 DC O3' A 5 A3A P 1.0 169.0 194.0 EPSILON 100 100 A 5 A3A C4' A 5 A3A C3' A 5 A3A O3' A 6 DG P 1.0 194.0 218.0 EPSILON 101 101 A 6 DG C4' A 6 DG C3' A 6 DG O3' A 7 DG P 1.0 177.0 197.0 EPSILON 102 102 A 7 DG C4' A 7 DG C3' A 7 DG O3' A 8 DA P 1.0 181.0 201.0 EPSILON 103 103 A 8 DA C4' A 8 DA C3' A 8 DA O3' A 9 DC P 1.0 179.0 199.0 EPSILON 104 104 A 9 DC C4' A 9 DC C3' A 9 DC O3' A 10 DG P 1.0 182.0 206.0 EPSILON 105 105 B 11 DC C4' B 11 DC C3' B 11 DC O3' B 12 DG P 1.0 183.0 213.0 EPSILON 106 106 B 12 DG C4' B 12 DG C3' B 12 DG O3' B 13 DT P 1.0 176.0 196.0 EPSILON 107 107 B 13 DT C4' B 13 DT C3' B 13 DT O3' B 14 DC P 1.0 174.0 194.0 EPSILON 108 108 B 14 DC C4' B 14 DC C3' B 14 DC O3' B 15 DC P 1.0 184.0 204.0 EPSILON 109 109 B 15 DC C4' B 15 DC C3' B 15 DC O3' B 16 DT P 1.0 157.0 207.0 EPSILON 110 110 B 16 DT C4' B 16 DT C3' B 16 DT O3' B 17 DG P 1.0 166.0 216.0 EPSILON 111 111 B 17 DG C4' B 17 DG C3' B 17 DG O3' B 18 DG P 1.0 180.0 200.0 EPSILON 112 112 B 18 DG C4' B 18 DG C3' B 18 DG O3' B 19 DA P 1.0 179.0 203.0 EPSILON 113 113 B 19 DA C4' B 19 DA C3' B 19 DA O3' B 20 DC P 1.0 181.0 201.0 EPSILON 114 114 A 1 DG C3' A 1 DG O3' A 2 DT P A 2 DT O5' 1.0 150.0 315.0 ZETA 115 115 A 2 DT C3' A 2 DT O3' A 3 DC P A 3 DC O5' 1.0 150.0 315.0 ZETA 116 116 A 3 DC C3' A 3 DC O3' A 4 DC P A 4 DC O5' 1.0 150.0 315.0 ZETA 117 117 A 6 DG C3' A 6 DG O3' A 7 DG P A 7 DG O5' 1.0 150.0 315.0 ZETA 118 118 A 7 DG C3' A 7 DG O3' A 8 DA P A 8 DA O5' 1.0 150.0 315.0 ZETA 119 119 A 8 DA C3' A 8 DA O3' A 9 DC P A 9 DC O5' 1.0 150.0 315.0 ZETA 120 120 A 9 DC C3' A 9 DC O3' A 10 DG P A 10 DG O5' 1.0 150.0 315.0 ZETA 121 121 B 11 DC C3' B 11 DC O3' B 12 DG P B 12 DG O5' 1.0 150.0 315.0 ZETA 122 122 B 12 DG C3' B 12 DG O3' B 13 DT P B 13 DT O5' 1.0 150.0 315.0 ZETA 123 123 B 13 DT C3' B 13 DT O3' B 14 DC P B 14 DC O5' 1.0 150.0 315.0 ZETA 124 124 B 14 DC C3' B 14 DC O3' B 15 DC P B 15 DC O5' 1.0 150.0 315.0 ZETA 125 125 B 15 DC C3' B 15 DC O3' B 16 DT P B 16 DT O5' 1.0 150.0 315.0 ZETA 126 126 B 16 DT C3' B 16 DT O3' B 17 DG P B 17 DG O5' 1.0 150.0 315.0 ZETA 127 127 B 17 DG C3' B 17 DG O3' B 18 DG P B 18 DG O5' 1.0 150.0 315.0 ZETA 128 128 B 18 DG C3' B 18 DG O3' B 19 DA P B 19 DA O5' 1.0 150.0 315.0 ZETA 129 129 B 19 DA C3' B 19 DA O3' B 20 DC P B 20 DC O5' 1.0 150.0 315.0 ZETA 130 130 A 1 DG O3' A 2 DT P A 2 DT O5' A 2 DT C5' 1.0 270.0 330.0 ALPHA 131 131 A 2 DT O3' A 3 DC P A 3 DC O5' A 3 DC C5' 1.0 270.0 330.0 ALPHA 132 132 A 5 A3A O3' A 6 DG P A 6 DG O5' A 6 DG C5' 1.0 270.0 330.0 ALPHA 133 133 A 6 DG O3' A 7 DG P A 7 DG O5' A 7 DG C5' 1.0 270.0 330.0 ALPHA 134 134 A 7 DG O3' A 8 DA P A 8 DA O5' A 8 DA C5' 1.0 270.0 330.0 ALPHA 135 135 A 8 DA O3' A 9 DC P A 9 DC O5' A 9 DC C5' 1.0 270.0 330.0 ALPHA 136 136 A 9 DC O3' A 10 DG P A 10 DG O5' A 10 DG C5' 1.0 270.0 330.0 ALPHA 137 137 B 11 DC O3' B 12 DG P B 12 DG O5' B 12 DG C5' 1.0 270.0 330.0 ALPHA 138 138 B 12 DG O3' B 13 DT P B 13 DT O5' B 13 DT C5' 1.0 270.0 330.0 ALPHA 139 139 B 13 DT O3' B 14 DC P B 14 DC O5' B 14 DC C5' 1.0 270.0 330.0 ALPHA 140 140 B 14 DC O3' B 15 DC P B 15 DC O5' B 15 DC C5' 1.0 270.0 330.0 ALPHA 141 141 B 15 DC O3' B 16 DT P B 16 DT O5' B 16 DT C5' 1.0 270.0 330.0 ALPHA 142 142 B 16 DT O3' B 17 DG P B 17 DG O5' B 17 DG C5' 1.0 270.0 330.0 ALPHA 143 143 B 17 DG O3' B 18 DG P B 18 DG O5' B 18 DG C5' 1.0 270.0 330.0 ALPHA 144 144 B 18 DG O3' B 19 DA P B 19 DA O5' B 19 DA C5' 1.0 270.0 330.0 ALPHA 145 145 B 19 DA O3' B 20 DC P B 20 DC O5' B 20 DC C5' 1.0 270.0 330.0 ALPHA 146 146 A 2 DT P A 2 DT O5' A 2 DT C5' A 2 DT C4' 1.0 135.0 215.0 BETA 147 147 A 3 DC P A 3 DC O5' A 3 DC C5' A 3 DC C4' 1.0 135.0 215.0 BETA 148 148 A 4 DC P A 4 DC O5' A 4 DC C5' A 4 DC C4' 1.0 135.0 215.0 BETA 149 149 A 6 DG P A 6 DG O5' A 6 DG C5' A 6 DG C4' 1.0 135.0 215.0 BETA 150 150 A 7 DG P A 7 DG O5' A 7 DG C5' A 7 DG C4' 1.0 135.0 215.0 BETA 151 151 A 8 DA P A 8 DA O5' A 8 DA C5' A 8 DA C4' 1.0 135.0 215.0 BETA 152 152 A 9 DC P A 9 DC O5' A 9 DC C5' A 9 DC C4' 1.0 135.0 215.0 BETA 153 153 A 10 DG P A 10 DG O5' A 10 DG C5' A 10 DG C4' 1.0 135.0 215.0 BETA 154 154 B 12 DG P B 12 DG O5' B 12 DG C5' B 12 DG C4' 1.0 135.0 215.0 BETA 155 155 B 13 DT P B 13 DT O5' B 13 DT C5' B 13 DT C4' 1.0 135.0 215.0 BETA 156 156 B 14 DC P B 14 DC O5' B 14 DC C5' B 14 DC C4' 1.0 135.0 215.0 BETA 157 157 B 15 DC P B 15 DC O5' B 15 DC C5' B 15 DC C4' 1.0 135.0 215.0 BETA 158 158 B 16 DT P B 16 DT O5' B 16 DT C5' B 16 DT C4' 1.0 135.0 215.0 BETA 159 159 B 17 DG P B 17 DG O5' B 17 DG C5' B 17 DG C4' 1.0 135.0 215.0 BETA 160 160 B 18 DG P B 18 DG O5' B 18 DG C5' B 18 DG C4' 1.0 135.0 215.0 BETA 161 161 B 19 DA P B 19 DA O5' B 19 DA C5' B 19 DA C4' 1.0 135.0 215.0 BETA 162 162 B 20 DC P B 20 DC O5' B 20 DC C5' B 20 DC C4' 1.0 135.0 215.0 BETA 163 163 A 1 DG O5' A 1 DG C5' A 1 DG C4' A 1 DG C3' 1.0 30.0 90.0 GAMMA 164 164 A 2 DT O5' A 2 DT C5' A 2 DT C4' A 2 DT C3' 1.0 30.0 90.0 GAMMA 165 165 A 3 DC O5' A 3 DC C5' A 3 DC C4' A 3 DC C3' 1.0 30.0 90.0 GAMMA 166 166 A 4 DC O5' A 4 DC C5' A 4 DC C4' A 4 DC C3' 1.0 30.0 90.0 GAMMA 167 167 A 6 DG O5' A 6 DG C5' A 6 DG C4' A 6 DG C3' 1.0 30.0 90.0 GAMMA 168 168 A 7 DG O5' A 7 DG C5' A 7 DG C4' A 7 DG C3' 1.0 30.0 90.0 GAMMA 169 169 A 8 DA O5' A 8 DA C5' A 8 DA C4' A 8 DA C3' 1.0 30.0 90.0 GAMMA 170 170 A 9 DC O5' A 9 DC C5' A 9 DC C4' A 9 DC C3' 1.0 30.0 90.0 GAMMA 171 171 A 10 DG O5' A 10 DG C5' A 10 DG C4' A 10 DG C3' 1.0 30.0 90.0 GAMMA 172 172 B 11 DC O5' B 11 DC C5' B 11 DC C4' B 11 DC C3' 1.0 30.0 90.0 GAMMA 173 173 B 12 DG O5' B 12 DG C5' B 12 DG C4' B 12 DG C3' 1.0 30.0 90.0 GAMMA 174 174 B 13 DT O5' B 13 DT C5' B 13 DT C4' B 13 DT C3' 1.0 30.0 90.0 GAMMA 175 175 B 14 DC O5' B 14 DC C5' B 14 DC C4' B 14 DC C3' 1.0 30.0 90.0 GAMMA 176 176 B 15 DC O5' B 15 DC C5' B 15 DC C4' B 15 DC C3' 1.0 30.0 90.0 GAMMA 177 177 B 16 DT O5' B 16 DT C5' B 16 DT C4' B 16 DT C3' 1.0 30.0 90.0 GAMMA 178 178 B 17 DG O5' B 17 DG C5' B 17 DG C4' B 17 DG C3' 1.0 30.0 90.0 GAMMA 179 179 B 18 DG O5' B 18 DG C5' B 18 DG C4' B 18 DG C3' 1.0 30.0 90.0 GAMMA 180 180 B 19 DA O5' B 19 DA C5' B 19 DA C4' B 19 DA C3' 1.0 30.0 90.0 GAMMA 181 181 B 20 DC O5' B 20 DC C5' B 20 DC C4' B 20 DC C3' 1.0 30.0 90.0 GAMMA stop_ save_ save_AMBER_dipolar_coupling_6 _nef_rdc_restraint_list.sf_category nef_rdc_restraint_list _nef_rdc_restraint_list.sf_framecode AMBER_dipolar_coupling_6 _nef_rdc_restraint_list.potential_type square-well-parabolic _nef_rdc_restraint_list.restraint_origin . loop_ _nef_rdc_restraint.index _nef_rdc_restraint.restraint_id _nef_rdc_restraint.chain_code_1 _nef_rdc_restraint.sequence_code_1 _nef_rdc_restraint.residue_name_1 _nef_rdc_restraint.atom_name_1 _nef_rdc_restraint.chain_code_2 _nef_rdc_restraint.sequence_code_2 _nef_rdc_restraint.residue_name_2 _nef_rdc_restraint.atom_name_2 _nef_rdc_restraint.weight _nef_rdc_restraint.lower_limit _nef_rdc_restraint.upper_limit _nef_rdc_restraint.scale 1 1 A 2 DT C1' A 2 DT H1' 1.0 4.3 4.3 . 2 2 A 5 A3A C1' A 5 A3A H1' 1.0 5.2 5.2 . 3 3 A 6 DG C1' A 6 DG H1' 1.0 4.1 4.1 . 4 4 A 7 DG C1' A 7 DG H1' 1.0 6.3 6.3 . 5 5 A 9 DC C1' A 9 DC H1' 1.0 1.9 1.9 . 6 6 A 10 DG C1' A 10 DG H1' 1.0 5.8 5.8 . 7 7 B 11 DC C1' B 11 DC H1' 1.0 -2.2 -2.2 . 8 8 B 12 DG C1' B 12 DG H1' 1.0 9.8 9.8 . 9 9 B 13 DT C1' B 13 DT H1' 1.0 0.3 0.3 . 10 10 B 16 DT C1' B 16 DT H1' 1.0 0.6 0.6 . 11 11 B 17 DG C1' B 17 DG H1' 1.0 9.0 9.0 . 12 12 B 18 DG C1' B 18 DG H1' 1.0 2.5 2.5 . 13 13 A 3 DC C3' A 3 DC H3' 1.0 -0.6 -0.6 . 14 14 A 4 DC C3' A 4 DC H3' 1.0 3.4 11.1 . 15 15 A 10 DG C3' A 10 DG H3' 1.0 2.0 2.0 . 16 16 B 11 DC C3' B 11 DC H3' 1.0 -2.8 -2.8 . 17 17 B 12 DG C3' B 12 DG H3' 1.0 0.5 0.5 . 18 18 B 15 DC C3' B 15 DC H3' 1.0 7.5 7.5 . 19 19 B 16 DT C3' B 16 DT H3' 1.0 14.1 14.1 . 20 20 B 18 DG C3' B 18 DG H3' 1.0 7.5 7.5 . 21 21 B 19 DA C3' B 19 DA H3' 1.0 4.6 4.6 . 22 22 B 20 DC C3' B 20 DC H3' 1.0 -1.7 -1.7 . 23 23 A 2 DT C6 A 2 DT H6 1.0 6.4 6.4 . 24 24 A 5 A3A C8A A 5 A3A H8A 1.0 10.9 10.9 . 25 25 A 6 DG C8 A 6 DG H8 1.0 12.3 12.3 . 26 26 A 7 DG C8 A 7 DG H8 1.0 12.0 12.0 . 27 27 A 8 DA C8 A 8 DA H8 1.0 3.0 3.0 . 28 28 A 9 DC C6 A 9 DC H6 1.0 -2.7 -2.7 . 29 29 A 10 DG C8 A 10 DG H8 1.0 0.6 0.6 . 30 30 B 11 DC C6 B 11 DC H6 1.0 1.9 1.9 . 31 31 B 12 DG C8 B 12 DG H8 1.0 8.8 8.8 . 32 32 B 13 DT C6 B 13 DT H6 1.0 1.7 1.7 . 33 33 B 15 DC C6 B 15 DC H6 1.0 10.6 10.6 . 34 34 B 16 DT C6 B 16 DT H6 1.0 12.4 12.4 . 35 35 B 17 DG C8 B 17 DG H8 1.0 7.8 7.8 . 36 36 B 18 DG C8 B 18 DG H8 1.0 3.6 3.6 . 37 37 B 19 DA C8 B 19 DA H8 1.0 3.2 3.2 . 38 38 B 20 DC C6 B 20 DC H6 1.0 6.5 6.5 . 39 39 A 5 A3A C2A A 5 A3A H2A 1.0 6.2 6.2 . 40 40 A 8 DA C2 A 8 DA H2 1.0 10.9 10.9 . 41 41 B 19 DA C2 B 19 DA H2 1.0 5.2 5.2 . 42 42 A 4 DC C5 A 4 DC H5 1.0 8.4 8.4 . 43 43 A 9 DC C5 A 9 DC H5 1.0 6.9 6.9 . 44 44 B 11 DC C5 B 11 DC H5 1.0 -0.1 -0.1 . 45 45 B 15 DC C5 B 15 DC H5 1.0 4.8 4.8 . 46 46 B 20 DC C5 B 20 DC H5 1.0 4.3 4.3 . stop_ save_