data_nef_c15319_2jr4 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 27 C start . . 2 A 28 C middle . . 3 A 29 U middle . . 4 A 30 C middle . . 5 A 31 C middle . . 6 A 32 C middle . . 7 A 33 U middle . . 8 A 34 U middle . . 9 A 35 A middle . . 10 A 36 C middle . . 11 A 37 A middle . . 12 A 38 A middle . . 13 A 39 G middle . . 14 A 40 G middle . . 15 A 41 A middle . . 16 A 42 G middle . . 17 A 43 G 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 27 C H1' H 1 5.576 . A 27 C H2' H 1 4.469 . A 27 C H3' H 1 4.505 . A 27 C H4' H 1 4.353 . A 27 C H5 H 1 6.033 . A 27 C H5' H 1 4.090 . A 27 C H5'' H 1 3.938 . A 27 C H6 H 1 8.177 . A 28 C H1' H 1 5.626 . A 28 C H2' H 1 4.438 . A 28 C H3' H 1 4.635 . A 28 C H4' H 1 4.453 . A 28 C H41 H 1 7.126 . A 28 C H42 H 1 8.791 . A 28 C H5 H 1 5.575 . A 28 C H6 H 1 7.375 . A 29 U H1' H 1 5.575 . A 29 U H2' H 1 4.563 . A 29 U H3 H 1 14.11 . A 29 U H3' H 1 4.427 . A 29 U H4' H 1 4.462 . A 29 U H5 H 1 5.462 . A 29 U H6 H 1 7.975 . A 30 C H1' H 1 5.540 . A 30 C H2' H 1 4.427 . A 30 C H3' H 1 4.448 . A 30 C H4' H 1 4.327 . A 30 C H41 H 1 7.122 . A 30 C H42 H 1 8.795 . A 30 C H5 H 1 5.663 . A 30 C H6 H 1 7.903 . A 31 C H1' H 1 5.380 . A 31 C H2' H 1 4.326 . A 31 C H3' H 1 4.488 . A 31 C H4' H 1 4.352 . A 31 C H41 H 1 7.012 . A 31 C H42 H 1 8.405 . A 31 C H5 H 1 5.400 . A 31 C H6 H 1 7.540 . A 32 C H1' H 1 5.643 . A 32 C H2' H 1 4.363 . A 32 C H3' H 1 4.519 . A 32 C H4' H 1 4.463 . A 32 C H5 H 1 5.683 . A 32 C H6 H 1 7.794 . A 33 U H1' H 1 5.611 . A 33 U H2' H 1 4.197 . A 33 U H3' H 1 4.549 . A 33 U H4' H 1 4.351 . A 33 U H5 H 1 5.613 . A 33 U H6 H 1 7.640 . A 34 U H1' H 1 5.479 . A 34 U H2' H 1 4.552 . A 34 U H3' H 1 4.628 . A 34 U H4' H 1 4.151 . A 34 U H5 H 1 5.641 . A 34 U H6 H 1 7.719 . A 35 A H1' H 1 5.850 . A 35 A H2 H 1 7.926 . A 35 A H2' H 1 4.571 . A 35 A H3' H 1 4.360 . A 35 A H4' H 1 4.151 . A 35 A H5' H 1 4.240 . A 35 A H5'' H 1 4.228 . A 35 A H8 H 1 8.108 . A 36 C H1' H 1 5.385 . A 36 C H2' H 1 4.423 . A 36 C H3' H 1 4.484 . A 36 C H5 H 1 5.401 . A 36 C H6 H 1 7.538 . A 37 A H1' H 1 5.803 . A 37 A H2 H 1 7.813 . A 37 A H2' H 1 4.561 . A 37 A H3' H 1 4.507 . A 37 A H4' H 1 4.427 . A 37 A H8 H 1 8.089 . A 38 A H1' H 1 5.563 . A 38 A H2 H 1 7.947 . A 38 A H2' H 1 4.543 . A 38 A H3' H 1 4.473 . A 38 A H4' H 1 4.443 . A 38 A H8 H 1 7.778 . A 39 G H1 H 1 12.66 . A 39 G H1' H 1 5.162 . A 39 G H2' H 1 4.468 . A 39 G H21 H 1 6.326 . A 39 G H22 H 1 8.284 . A 39 G H3' H 1 4.643 . A 39 G H4' H 1 4.325 . A 39 G H8 H 1 6.942 . A 40 G H1 H 1 12.40 . A 40 G H1' H 1 5.745 . A 40 G H2' H 1 4.551 . A 40 G H21 H 1 5.968 . A 40 G H22 H 1 8.039 . A 40 G H3' H 1 4.367 . A 40 G H8 H 1 7.165 . A 41 A H1' H 1 5.951 . A 41 A H2 H 1 7.546 . A 41 A H2' H 1 4.490 . A 41 A H3' H 1 4.446 . A 41 A H61 H 1 7.951 . A 41 A H62 H 1 6.648 . A 41 A H8 H 1 7.683 . A 42 G H1 H 1 13.20 . A 42 G H1' H 1 5.549 . A 42 G H2' H 1 4.453 . A 42 G H21 H 1 6.168 . A 42 G H22 H 1 8.592 . A 42 G H3' H 1 4.290 . A 42 G H8 H 1 7.008 . A 43 G H1 H 1 13.44 . A 43 G H1' H 1 5.853 . A 43 G H2' H 1 4.022 . A 43 G H3' H 1 4.187 . A 43 G H5'' H 1 3.990 . A 43 G H8 H 1 7.260 . 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 27 C H1' A 27 C H2' 1.0 2.705 2.905 2 2 A 27 C H1' A 27 C H3' 1.0 3.757 3.957 3 3 A 27 C H1' A 27 C H4' 1.0 3.298 3.498 4 4 A 27 C H1' A 27 C H5' 1.0 4.477 4.677 5 5 A 27 C H1' A 27 C HO2' 1.0 2.889 3.089 6 6 A 27 C H1' A 27 C H6 1.0 3.420 3.620 7 7 A 27 C H1' A 28 C H5' 1.0 4.576 4.776 8 8 A 27 C H1' A 28 C H6 1.0 4.197 4.397 9 9 A 27 C H1' A 28 C H5 1.0 4.879 5.079 10 10 A 27 C H2' A 27 C H3' 1.0 2.325 2.525 11 11 A 27 C H2' A 27 C H4' 1.0 3.713 3.913 12 12 A 27 C H2' A 27 C HO2' 1.0 2.092 2.292 13 13 A 27 C H2' A 27 C H6 1.0 3.899 4.099 14 14 A 27 C H2' A 28 C H1' 1.0 4.093 4.293 15 15 A 27 C H2' A 28 C H3' 1.0 4.163 4.363 16 16 A 27 C H2' A 28 C H4' 1.0 4.341 4.541 17 17 A 27 C H2' A 28 C H5' 1.0 2.790 2.990 18 18 A 27 C H2' A 28 C H5'' 1.0 4.168 4.368 19 19 A 27 C H2' A 28 C H6 1.0 1.483 1.683 20 20 A 27 C H2' A 28 C H5 1.0 2.989 3.189 21 21 A 27 C H3' A 27 C H4' 1.0 2.907 3.107 22 22 A 27 C H3' A 27 C H5' 1.0 3.587 3.787 23 23 A 27 C H3' A 27 C H5'' 1.0 2.985 3.185 24 24 A 27 C H3' A 27 C HO2' 1.0 3.893 4.093 25 25 A 27 C H3' A 27 C H6 1.0 2.888 3.088 26 26 A 27 C H3' A 27 C H5 1.0 4.669 4.869 27 27 A 27 C H3' A 28 C H5' 1.0 3.858 4.058 28 28 A 27 C H3' A 28 C H5'' 1.0 4.808 5.008 29 29 A 27 C H3' A 28 C H6 1.0 3.004 3.204 30 30 A 27 C H3' A 28 C H5 1.0 3.213 3.413 31 31 A 27 C H4' A 27 C H5' 1.0 2.434 2.634 32 32 A 27 C H4' A 27 C H5'' 1.0 2.270 2.470 33 33 A 27 C H4' A 27 C HO2' 1.0 3.678 3.878 34 34 A 27 C H4' A 27 C H6 1.0 3.953 4.153 35 35 A 27 C H4' A 28 C H5' 1.0 4.067 4.267 36 36 A 27 C H5' A 27 C H5'' 1.0 1.676 1.876 37 37 A 27 C H5' A 27 C H6 1.0 3.141 3.341 38 38 A 27 C H6 A 27 C H5'' 1.0 3.955 4.155 39 39 A 27 C HO2' A 28 C H1' 1.0 4.051 4.251 40 40 A 27 C HO2' A 28 C H3' 1.0 4.745 4.945 41 41 A 27 C HO2' A 28 C H4' 1.0 3.422 3.622 42 42 A 27 C HO2' A 28 C H5' 1.0 1.894 2.094 43 43 A 27 C HO2' A 28 C H5'' 1.0 3.638 3.838 44 44 A 27 C HO2' A 28 C H6 1.0 3.121 3.321 45 45 A 27 C H4x A 27 C H4y 1.0 1.684 1.884 46 46 A 27 C H6 A 27 C H4x 1.0 4.551 4.751 47 47 A 27 C H5 A 27 C H4x 1.0 2.326 2.526 48 48 A 27 C H4x A 28 C H41 1.0 3.121 3.321 49 49 A 27 C H4x A 28 C H42 1.0 4.024 4.224 50 50 A 28 C H5 A 27 C H4x 1.0 4.375 4.575 51 51 A 27 C H5 A 27 C H4y 1.0 3.608 3.808 52 52 A 27 C H4y A 28 C H41 1.0 2.966 3.166 53 53 A 27 C H4y A 28 C H42 1.0 3.164 3.364 54 54 A 28 C H5 A 27 C H4y 1.0 4.293 4.493 55 55 A 27 C H6 A 27 C H5 1.0 2.357 2.557 56 56 A 27 C H6 A 28 C H6 1.0 4.851 5.051 57 57 A 27 C H6 A 28 C H5 1.0 3.901 4.101 58 58 A 27 C H5 A 28 C H41 1.0 3.946 4.146 59 59 A 28 C H5 A 27 C H5 1.0 3.895 4.095 60 60 A 28 C H1' A 28 C H2' 1.0 2.705 2.905 61 61 A 28 C H1' A 28 C H3' 1.0 3.757 3.957 62 62 A 28 C H1' A 28 C H4' 1.0 3.298 3.498 63 63 A 28 C H5' A 28 C H1' 1.0 4.477 4.677 64 64 A 28 C H1' A 28 C HO2' 1.0 2.889 3.089 65 65 A 28 C H6 A 28 C H1' 1.0 3.421 3.621 66 66 A 28 C H1' A 29 U H5' 1.0 4.577 4.777 67 67 A 28 C H1' A 29 U H6 1.0 4.182 4.382 68 68 A 28 C H1' A 29 U H5 1.0 4.841 5.041 69 69 A 28 C H3' A 28 C H2' 1.0 2.325 2.525 70 70 A 28 C H4' A 28 C H2' 1.0 3.713 3.913 71 71 A 28 C H2' A 28 C HO2' 1.0 2.093 2.293 72 72 A 28 C H6 A 28 C H2' 1.0 3.900 4.100 73 73 A 28 C H2' A 29 U H1' 1.0 4.092 4.292 74 74 A 28 C H2' A 29 U H3' 1.0 4.163 4.363 75 75 A 28 C H2' A 29 U H4' 1.0 4.341 4.541 76 76 A 28 C H2' A 29 U H5' 1.0 2.791 2.991 77 77 A 28 C H2' A 29 U H5'' 1.0 4.168 4.368 78 78 A 28 C H2' A 29 U H6 1.0 1.466 1.666 79 79 A 28 C H2' A 29 U H5 1.0 2.930 3.130 80 80 A 28 C H3' A 28 C H4' 1.0 2.907 3.107 81 81 A 28 C H5' A 28 C H3' 1.0 3.586 3.786 82 82 A 28 C H3' A 28 C H5'' 1.0 2.985 3.185 83 83 A 28 C H3' A 28 C HO2' 1.0 3.893 4.093 84 84 A 28 C H6 A 28 C H3' 1.0 2.889 3.089 85 85 A 28 C H5 A 28 C H3' 1.0 4.669 4.869 86 86 A 28 C H3' A 29 U H5' 1.0 3.858 4.058 87 87 A 28 C H3' A 29 U H5'' 1.0 4.807 5.007 88 88 A 28 C H3' A 29 U H6 1.0 3.000 3.200 89 89 A 28 C H3' A 29 U H5 1.0 3.148 3.348 90 90 A 28 C H5' A 28 C H4' 1.0 2.434 2.634 91 91 A 28 C H4' A 28 C H5'' 1.0 2.270 2.470 92 92 A 28 C H4' A 28 C HO2' 1.0 3.678 3.878 93 93 A 28 C H6 A 28 C H4' 1.0 3.953 4.153 94 94 A 28 C H4' A 29 U H5' 1.0 4.067 4.267 95 95 A 28 C H5' A 28 C H5'' 1.0 1.676 1.876 96 96 A 28 C H5' A 28 C H6 1.0 3.141 3.341 97 97 A 28 C H6 A 28 C H5'' 1.0 3.956 4.156 98 98 A 28 C HO2' A 29 U H1' 1.0 4.051 4.251 99 99 A 28 C HO2' A 29 U H3' 1.0 4.745 4.945 100 100 A 28 C HO2' A 29 U H4' 1.0 3.421 3.621 101 101 A 28 C HO2' A 29 U H5' 1.0 1.894 2.094 102 102 A 28 C HO2' A 29 U H5'' 1.0 3.638 3.838 103 103 A 28 C HO2' A 29 U H6 1.0 3.100 3.300 104 104 A 28 C H41 A 28 C H42 1.0 1.684 1.884 105 105 A 28 C H6 A 28 C H41 1.0 4.550 4.750 106 106 A 28 C H5 A 28 C H41 1.0 2.325 2.525 107 107 A 28 C H41 A 29 U H5 1.0 4.431 4.631 108 108 A 28 C H5 A 28 C H42 1.0 3.608 3.808 109 109 A 28 C H42 A 29 U H3 1.0 4.468 4.668 110 110 A 28 C H42 A 29 U H5 1.0 4.354 4.554 111 111 A 28 C H6 A 28 C H5 1.0 2.356 2.556 112 112 A 28 C H6 A 29 U H6 1.0 4.850 5.050 113 113 A 28 C H6 A 29 U H5 1.0 3.880 4.080 114 114 A 28 C H5 A 29 U H5 1.0 3.917 4.117 115 115 A 29 U H1' A 29 U H2' 1.0 2.705 2.905 116 116 A 29 U H1' A 29 U H3' 1.0 3.757 3.957 117 117 A 29 U H1' A 29 U H4' 1.0 3.297 3.497 118 118 A 29 U H5' A 29 U H1' 1.0 4.476 4.676 119 119 A 29 U H1' A 29 U HO2' 1.0 2.890 3.090 120 120 A 29 U H1' A 29 U H3 1.0 4.522 4.722 121 121 A 29 U H6 A 29 U H1' 1.0 3.414 3.614 122 122 A 29 U H1' A 30 C H5' 1.0 4.577 4.777 123 123 A 29 U H1' A 30 C H6 1.0 4.220 4.420 124 124 A 29 U H3' A 29 U H2' 1.0 2.325 2.525 125 125 A 29 U H4' A 29 U H2' 1.0 3.713 3.913 126 126 A 29 U H2' A 29 U HO2' 1.0 2.093 2.293 127 127 A 29 U H3 A 29 U H2' 1.0 4.440 4.640 128 128 A 29 U H6 A 29 U H2' 1.0 3.905 4.105 129 129 A 29 U H2' A 30 C H1' 1.0 4.092 4.292 130 130 A 29 U H2' A 30 C H3' 1.0 4.163 4.363 131 131 A 29 U H2' A 30 C H4' 1.0 4.342 4.542 132 132 A 29 U H2' A 30 C H5' 1.0 2.791 2.991 133 133 A 29 U H2' A 30 C H5'' 1.0 4.168 4.368 134 134 A 29 U H2' A 30 C H6 1.0 1.573 1.773 135 135 A 29 U H3' A 29 U H4' 1.0 2.907 3.107 136 136 A 29 U H5' A 29 U H3' 1.0 3.586 3.786 137 137 A 29 U H3' A 29 U H5'' 1.0 2.985 3.185 138 138 A 29 U H3' A 29 U HO2' 1.0 3.893 4.093 139 139 A 29 U H6 A 29 U H3' 1.0 2.892 3.092 140 140 A 29 U H5 A 29 U H3' 1.0 4.623 4.823 141 141 A 29 U H3' A 30 C H5' 1.0 3.858 4.058 142 142 A 29 U H3' A 30 C H5'' 1.0 4.808 5.008 143 143 A 29 U H3' A 30 C H6 1.0 2.924 3.124 144 144 A 29 U H5' A 29 U H4' 1.0 2.433 2.633 145 145 A 29 U H4' A 29 U H5'' 1.0 2.270 2.470 146 146 A 29 U H4' A 29 U HO2' 1.0 3.678 3.878 147 147 A 29 U H6 A 29 U H4' 1.0 3.939 4.139 148 148 A 29 U H4' A 30 C H5' 1.0 4.067 4.267 149 149 A 29 U H5' A 29 U H5'' 1.0 1.676 1.876 150 150 A 29 U H5' A 29 U H6 1.0 3.123 3.323 151 151 A 29 U H6 A 29 U H5'' 1.0 3.944 4.144 152 152 A 29 U HO2' A 30 C H1' 1.0 4.051 4.251 153 153 A 29 U HO2' A 30 C H3' 1.0 4.745 4.945 154 154 A 29 U HO2' A 30 C H4' 1.0 3.421 3.621 155 155 A 29 U HO2' A 30 C H5' 1.0 1.895 2.095 156 156 A 29 U HO2' A 30 C H5'' 1.0 3.638 3.838 157 157 A 29 U HO2' A 30 C H6 1.0 3.120 3.320 158 158 A 29 U H6 A 29 U H3 1.0 4.717 4.917 159 159 A 29 U H5 A 29 U H3 1.0 4.131 4.331 160 160 A 29 U H3 A 30 C H6 1.0 4.302 4.502 161 161 A 29 U H6 A 29 U H5 1.0 2.316 2.516 162 162 A 29 U H6 A 30 C H6 1.0 4.850 5.050 163 163 A 30 C H1' A 30 C H2' 1.0 2.705 2.905 164 164 A 30 C H1' A 30 C H3' 1.0 3.757 3.957 165 165 A 30 C H1' A 30 C H4' 1.0 3.298 3.498 166 166 A 30 C H5' A 30 C H1' 1.0 4.477 4.677 167 167 A 30 C H1' A 30 C HO2' 1.0 2.889 3.089 168 168 A 30 C H6 A 30 C H1' 1.0 3.420 3.620 169 169 A 30 C H1' A 31 C H5' 1.0 4.576 4.776 170 170 A 30 C H1' A 31 C H6 1.0 4.197 4.397 171 171 A 30 C H1' A 31 C H5 1.0 4.879 5.079 172 172 A 30 C H3' A 30 C H2' 1.0 2.325 2.525 173 173 A 30 C H4' A 30 C H2' 1.0 3.713 3.913 174 174 A 30 C H2' A 30 C HO2' 1.0 2.092 2.292 175 175 A 30 C H6 A 30 C H2' 1.0 3.899 4.099 176 176 A 30 C H2' A 31 C H1' 1.0 4.093 4.293 177 177 A 30 C H2' A 31 C H3' 1.0 4.163 4.363 178 178 A 30 C H2' A 31 C H4' 1.0 4.341 4.541 179 179 A 30 C H2' A 31 C H5' 1.0 2.790 2.990 180 180 A 30 C H2' A 31 C H5'' 1.0 4.168 4.368 181 181 A 30 C H2' A 31 C H6 1.0 1.483 1.683 182 182 A 30 C H2' A 31 C H5 1.0 2.989 3.189 183 183 A 30 C H3' A 30 C H4' 1.0 2.907 3.107 184 184 A 30 C H5' A 30 C H3' 1.0 3.587 3.787 185 185 A 30 C H3' A 30 C H5'' 1.0 2.985 3.185 186 186 A 30 C H3' A 30 C HO2' 1.0 3.893 4.093 187 187 A 30 C H6 A 30 C H3' 1.0 2.888 3.088 188 188 A 30 C H3' A 30 C H5 1.0 4.669 4.869 189 189 A 30 C H3' A 31 C H5' 1.0 3.858 4.058 190 190 A 30 C H3' A 31 C H5'' 1.0 4.808 5.008 191 191 A 30 C H3' A 31 C H6 1.0 3.004 3.204 192 192 A 30 C H3' A 31 C H5 1.0 3.213 3.413 193 193 A 30 C H5' A 30 C H4' 1.0 2.434 2.634 194 194 A 30 C H4' A 30 C H5'' 1.0 2.270 2.470 195 195 A 30 C H4' A 30 C HO2' 1.0 3.678 3.878 196 196 A 30 C H6 A 30 C H4' 1.0 3.953 4.153 197 197 A 30 C H4' A 31 C H5' 1.0 4.067 4.267 198 198 A 30 C H5' A 30 C H5'' 1.0 1.676 1.876 199 199 A 30 C H5' A 30 C H6 1.0 3.141 3.341 200 200 A 30 C H6 A 30 C H5'' 1.0 3.955 4.155 201 201 A 30 C HO2' A 31 C H1' 1.0 4.051 4.251 202 202 A 30 C HO2' A 31 C H3' 1.0 4.745 4.945 203 203 A 30 C HO2' A 31 C H4' 1.0 3.422 3.622 204 204 A 30 C HO2' A 31 C H5' 1.0 1.894 2.094 205 205 A 30 C HO2' A 31 C H5'' 1.0 3.638 3.838 206 206 A 30 C HO2' A 31 C H6 1.0 3.121 3.321 207 207 A 30 C H41 A 30 C H42 1.0 1.684 1.884 208 208 A 30 C H6 A 30 C H41 1.0 4.551 4.751 209 209 A 30 C H5 A 30 C H41 1.0 2.326 2.526 210 210 A 30 C H41 A 31 C H41 1.0 3.121 3.321 211 211 A 30 C H41 A 31 C H42 1.0 4.024 4.224 212 212 A 31 C H5 A 30 C H41 1.0 4.375 4.575 213 213 A 30 C H5 A 30 C H42 1.0 3.608 3.808 214 214 A 30 C H42 A 31 C H41 1.0 2.966 3.166 215 215 A 30 C H42 A 31 C H42 1.0 3.164 3.364 216 216 A 31 C H5 A 30 C H42 1.0 4.293 4.493 217 217 A 30 C H6 A 30 C H5 1.0 2.357 2.557 218 218 A 30 C H6 A 31 C H6 1.0 4.851 5.051 219 219 A 30 C H6 A 31 C H5 1.0 3.901 4.101 220 220 A 30 C H5 A 31 C H41 1.0 3.946 4.146 221 221 A 31 C H5 A 30 C H5 1.0 3.895 4.095 222 222 A 39 G H1' A 39 G H2' 1.0 2.705 2.905 223 223 A 39 G H1' A 39 G H3' 1.0 3.757 3.957 224 224 A 39 G H1' A 39 G H4' 1.0 3.298 3.498 225 225 A 39 G H1' A 39 G H5' 1.0 4.477 4.677 226 226 A 39 G H1' A 39 G HO2' 1.0 2.465 2.665 227 227 A 39 G H1' A 39 G H21 1.0 4.674 4.874 228 228 A 39 G H1' A 39 G H8 1.0 3.627 3.827 229 229 A 39 G H1' A 40 G H5' 1.0 4.577 4.777 230 230 A 39 G H1' A 40 G H8 1.0 4.219 4.419 231 231 A 39 G H2' A 39 G H3' 1.0 2.325 2.525 232 232 A 39 G H2' A 39 G H4' 1.0 3.713 3.913 233 233 A 39 G H2' A 39 G HO2' 1.0 2.847 3.047 234 234 A 39 G H2' A 39 G H21 1.0 4.601 4.801 235 235 A 39 G H2' A 39 G H8 1.0 4.049 4.249 236 236 A 39 G H2' A 40 G H1' 1.0 4.092 4.292 237 237 A 39 G H2' A 40 G H3' 1.0 4.163 4.363 238 238 A 39 G H2' A 40 G H4' 1.0 4.342 4.542 239 239 A 39 G H2' A 40 G H5' 1.0 2.791 2.991 240 240 A 39 G H2' A 40 G H5'' 1.0 4.168 4.368 241 241 A 39 G H2' A 40 G H8 1.0 1.573 1.773 242 242 A 39 G H3' A 39 G H4' 1.0 2.908 3.108 243 243 A 39 G H3' A 39 G H5' 1.0 3.587 3.787 244 244 A 39 G H3' A 39 G H5'' 1.0 2.986 3.186 245 245 A 39 G H3' A 39 G HO2' 1.0 3.497 3.697 246 246 A 39 G H3' A 39 G H8 1.0 3.096 3.296 247 247 A 39 G H3' A 40 G H5' 1.0 3.859 4.059 248 248 A 39 G H3' A 40 G H5'' 1.0 4.808 5.008 249 249 A 39 G H3' A 40 G H8 1.0 2.923 3.123 250 250 A 39 G H4' A 39 G H5' 1.0 2.434 2.634 251 251 A 39 G H4' A 39 G H5'' 1.0 2.270 2.470 252 252 A 39 G H4' A 39 G HO2' 1.0 1.944 2.144 253 253 A 39 G H4' A 39 G H8 1.0 4.309 4.509 254 254 A 39 G H4' A 40 G H5' 1.0 4.067 4.267 255 255 A 39 G H5' A 39 G H5'' 1.0 1.676 1.876 256 256 A 39 G H5' A 39 G HO2' 1.0 4.310 4.510 257 257 A 39 G H5' A 39 G H8 1.0 3.464 3.664 258 258 A 39 G HO2' A 39 G H5'' 1.0 4.210 4.410 259 259 A 39 G H8 A 39 G H5'' 1.0 4.268 4.468 260 260 A 39 G HO2' A 40 G H5' 1.0 2.841 3.041 261 261 A 39 G HO2' A 40 G H5'' 1.0 4.502 4.702 262 262 A 39 G HO2' A 40 G H8 1.0 4.447 4.647 263 263 A 39 G H21 A 39 G H22 1.0 1.684 1.884 264 264 A 39 G H21 A 39 G H1 1.0 3.379 3.579 265 265 A 39 G H21 A 40 G H1' 1.0 3.155 3.355 266 266 A 39 G H21 A 40 G H8 1.0 4.775 4.975 267 267 A 39 G H22 A 39 G H1 1.0 2.069 2.269 268 268 A 40 G H1' A 39 G H22 1.0 4.105 4.305 269 269 A 39 G H22 A 40 G H21 1.0 4.672 4.872 270 270 A 39 G H22 A 40 G H1 1.0 4.690 4.890 271 271 A 31 C H1' A 39 G H22 1.0 4.216 4.416 272 272 A 39 G H22 A 31 C H2' 1.0 4.566 4.766 273 273 A 31 C H42 A 39 G H22 1.0 4.466 4.666 274 274 A 39 G H8 A 40 G H8 1.0 4.697 4.897 275 275 A 39 G H1 A 40 G H1 1.0 3.982 4.182 276 276 A 30 C H42 A 39 G H1 1.0 4.647 4.847 277 277 A 31 C H41 A 39 G H1 1.0 3.923 4.123 278 278 A 31 C H42 A 39 G H1 1.0 2.378 2.578 279 279 A 40 G H1' A 40 G H2' 1.0 2.705 2.905 280 280 A 40 G H1' A 40 G H3' 1.0 3.757 3.957 281 281 A 40 G H1' A 40 G H4' 1.0 3.297 3.497 282 282 A 40 G H5' A 40 G H1' 1.0 4.477 4.677 283 283 A 40 G H1' A 40 G HO2' 1.0 2.465 2.665 284 284 A 40 G H1' A 40 G H21 1.0 4.675 4.875 285 285 A 40 G H8 A 40 G H1' 1.0 3.627 3.827 286 286 A 40 G H3' A 40 G H2' 1.0 2.325 2.525 287 287 A 40 G H4' A 40 G H2' 1.0 3.713 3.913 288 288 A 40 G H2' A 40 G HO2' 1.0 2.847 3.047 289 289 A 40 G H21 A 40 G H2' 1.0 4.601 4.801 290 290 A 40 G H8 A 40 G H2' 1.0 4.050 4.250 291 291 A 40 G H3' A 40 G H4' 1.0 2.907 3.107 292 292 A 40 G H5' A 40 G H3' 1.0 3.587 3.787 293 293 A 40 G H3' A 40 G H5'' 1.0 2.985 3.185 294 294 A 40 G H3' A 40 G HO2' 1.0 3.496 3.696 295 295 A 40 G H8 A 40 G H3' 1.0 3.096 3.296 296 296 A 40 G H5' A 40 G H4' 1.0 2.434 2.634 297 297 A 40 G H4' A 40 G H5'' 1.0 2.270 2.470 298 298 A 40 G H4' A 40 G HO2' 1.0 1.943 2.143 299 299 A 40 G H8 A 40 G H4' 1.0 4.310 4.510 300 300 A 40 G H5' A 40 G H5'' 1.0 1.676 1.876 301 301 A 40 G H5' A 40 G HO2' 1.0 4.309 4.509 302 302 A 40 G H5' A 40 G H8 1.0 3.464 3.664 303 303 A 40 G H5'' A 40 G HO2' 1.0 4.209 4.409 304 304 A 40 G H8 A 40 G H5'' 1.0 4.268 4.468 305 305 A 40 G H21 A 40 G H22 1.0 1.684 1.884 306 306 A 40 G H21 A 40 G H1 1.0 3.379 3.579 307 307 A 31 C H1' A 40 G H21 1.0 4.393 4.593 308 308 A 40 G H1 A 40 G H22 1.0 2.068 2.268 309 309 A 30 C H1' A 40 G H22 1.0 4.217 4.417 310 310 A 30 C H2' A 40 G H22 1.0 4.567 4.767 311 311 A 30 C H42 A 40 G H22 1.0 4.466 4.666 312 312 A 31 C H1' A 40 G H22 1.0 4.273 4.473 313 313 A 31 C H6 A 40 G H22 1.0 4.861 5.061 314 314 A 30 C H41 A 40 G H1 1.0 3.923 4.123 315 315 A 30 C H42 A 40 G H1 1.0 2.378 2.578 316 316 A 31 C H41 A 40 G H1 1.0 3.985 4.185 317 317 A 31 C H42 A 40 G H1 1.0 3.788 3.988 318 318 A 31 C H5 A 40 G H1 1.0 4.298 4.498 319 319 A 40 G H1' A 41 A H5' 1.0 4.577 4.777 320 320 A 40 G H1' A 41 A H8 1.0 4.219 4.419 321 321 A 40 G H2' A 41 A H1' 1.0 4.092 4.292 322 322 A 40 G H2' A 41 A H3' 1.0 4.163 4.363 323 323 A 40 G H2' A 41 A H4' 1.0 4.342 4.542 324 324 A 40 G H2' A 41 A H5' 1.0 2.791 2.991 325 325 A 40 G H2' A 41 A H5'' 1.0 4.168 4.368 326 326 A 40 G H2' A 41 A H8 1.0 1.573 1.773 327 327 A 40 G H3' A 41 A H5' 1.0 3.859 4.059 328 328 A 40 G H3' A 41 A H5'' 1.0 4.808 5.008 329 329 A 40 G H3' A 41 A H8 1.0 2.923 3.123 330 330 A 40 G H4' A 41 A H5' 1.0 4.067 4.267 331 331 A 40 G HO2' A 41 A H5' 1.0 2.841 3.041 332 332 A 40 G HO2' A 41 A H5'' 1.0 4.502 4.702 333 333 A 40 G HO2' A 41 A H8 1.0 4.447 4.647 334 334 A 41 A H1' A 41 A H2' 1.0 2.705 2.905 335 335 A 41 A H1' A 41 A H3' 1.0 3.757 3.957 336 336 A 41 A H1' A 41 A H4' 1.0 3.297 3.497 337 337 A 41 A H5' A 41 A H1' 1.0 4.477 4.677 338 338 A 41 A H1' A 41 A HO2' 1.0 2.464 2.664 339 339 A 41 A H8 A 41 A H1' 1.0 3.600 3.800 340 340 A 41 A H1' A 41 A H2 1.0 4.691 4.891 341 341 A 41 A H1' A 42 G H5' 1.0 4.577 4.777 342 342 A 41 A H1' A 42 G H8 1.0 4.220 4.420 343 343 A 41 A H3' A 41 A H2' 1.0 2.325 2.525 344 344 A 41 A H4' A 41 A H2' 1.0 3.713 3.913 345 345 A 41 A H2' A 41 A HO2' 1.0 2.846 3.046 346 346 A 41 A H8 A 41 A H2' 1.0 4.025 4.225 347 347 A 41 A H2' A 41 A H2 1.0 4.563 4.763 348 348 A 41 A H2' A 42 G H1' 1.0 4.092 4.292 349 349 A 41 A H2' A 42 G H3' 1.0 4.163 4.363 350 350 A 41 A H2' A 42 G H4' 1.0 4.342 4.542 351 351 A 41 A H2' A 42 G H5' 1.0 2.791 2.991 352 352 A 41 A H2' A 42 G H5'' 1.0 4.168 4.368 353 353 A 41 A H2' A 42 G H8 1.0 1.574 1.774 354 354 A 41 A H3' A 41 A H4' 1.0 2.907 3.107 355 355 A 41 A H5' A 41 A H3' 1.0 3.586 3.786 356 356 A 41 A H3' A 41 A H5'' 1.0 2.985 3.185 357 357 A 41 A H3' A 41 A HO2' 1.0 3.496 3.696 358 358 A 41 A H8 A 41 A H3' 1.0 3.063 3.263 359 359 A 41 A H3' A 42 G H5' 1.0 3.859 4.059 360 360 A 41 A H3' A 42 G H5'' 1.0 4.808 5.008 361 361 A 41 A H3' A 42 G H8 1.0 2.924 3.124 362 362 A 41 A H5' A 41 A H4' 1.0 2.434 2.634 363 363 A 41 A H4' A 41 A H5'' 1.0 2.270 2.470 364 364 A 41 A H4' A 41 A HO2' 1.0 1.943 2.143 365 365 A 41 A H8 A 41 A H4' 1.0 4.263 4.463 366 366 A 41 A H4' A 42 G H5' 1.0 4.068 4.268 367 367 A 41 A H5' A 41 A H5'' 1.0 1.676 1.876 368 368 A 41 A H5' A 41 A HO2' 1.0 4.310 4.510 369 369 A 41 A H5' A 41 A H8 1.0 3.422 3.622 370 370 A 41 A H5'' A 41 A HO2' 1.0 4.209 4.409 371 371 A 41 A H8 A 41 A H5'' 1.0 4.225 4.425 372 372 A 41 A HO2' A 42 G H5' 1.0 2.842 3.042 373 373 A 41 A HO2' A 42 G H5'' 1.0 4.502 4.702 374 374 A 41 A HO2' A 42 G H8 1.0 4.447 4.647 375 375 A 41 A H62 A 41 A H61 1.0 1.684 1.884 376 376 A 41 A H2 A 41 A H62 1.0 4.406 4.606 377 377 A 41 A H62 A 42 G H1 1.0 4.405 4.605 378 378 A 28 C H41 A 41 A H62 1.0 4.576 4.776 379 379 A 30 C H42 A 41 A H62 1.0 3.727 3.927 380 380 A 29 U H3 A 41 A H62 1.0 2.296 2.496 381 381 A 29 U H5 A 41 A H62 1.0 4.389 4.589 382 382 A 41 A H8 A 41 A H61 1.0 4.754 4.954 383 383 A 30 C H42 A 41 A H61 1.0 4.479 4.679 384 384 A 29 U H3 A 41 A H61 1.0 3.859 4.059 385 385 A 41 A H8 A 42 G H8 1.0 4.686 4.886 386 386 A 41 A H2 A 42 G H1' 1.0 3.731 3.931 387 387 A 41 A H2 A 42 G H8 1.0 4.545 4.745 388 388 A 29 U H3 A 41 A H2 1.0 2.831 3.031 389 389 A 42 G H1' A 42 G H2' 1.0 2.705 2.905 390 390 A 42 G H1' A 42 G H3' 1.0 3.757 3.957 391 391 A 42 G H1' A 42 G H4' 1.0 3.298 3.498 392 392 A 42 G H5' A 42 G H1' 1.0 4.477 4.677 393 393 A 42 G H1' A 42 G HO2' 1.0 2.465 2.665 394 394 A 42 G H1' A 42 G H21 1.0 4.674 4.874 395 395 A 42 G H8 A 42 G H1' 1.0 3.627 3.827 396 396 A 42 G H1' A 43 G H5' 1.0 4.577 4.777 397 397 A 42 G H1' A 43 G H8 1.0 4.219 4.419 398 398 A 42 G H3' A 42 G H2' 1.0 2.325 2.525 399 399 A 42 G H4' A 42 G H2' 1.0 3.713 3.913 400 400 A 42 G H2' A 42 G HO2' 1.0 2.847 3.047 401 401 A 42 G H2' A 42 G H21 1.0 4.601 4.801 402 402 A 42 G H8 A 42 G H2' 1.0 4.049 4.249 403 403 A 42 G H2' A 43 G H1' 1.0 4.092 4.292 404 404 A 42 G H2' A 43 G H3' 1.0 4.163 4.363 405 405 A 42 G H2' A 43 G H4' 1.0 4.342 4.542 406 406 A 42 G H2' A 43 G H5' 1.0 2.791 2.991 407 407 A 42 G H2' A 43 G H5'' 1.0 4.168 4.368 408 408 A 42 G H2' A 43 G H8 1.0 1.573 1.773 409 409 A 42 G H3' A 42 G H4' 1.0 2.908 3.108 410 410 A 42 G H5' A 42 G H3' 1.0 3.587 3.787 411 411 A 42 G H3' A 42 G H5'' 1.0 2.986 3.186 412 412 A 42 G H3' A 42 G HO2' 1.0 3.497 3.697 413 413 A 42 G H8 A 42 G H3' 1.0 3.096 3.296 414 414 A 42 G H3' A 43 G H5' 1.0 3.859 4.059 415 415 A 42 G H3' A 43 G H5'' 1.0 4.808 5.008 416 416 A 42 G H3' A 43 G H8 1.0 2.923 3.123 417 417 A 42 G H5' A 42 G H4' 1.0 2.434 2.634 418 418 A 42 G H4' A 42 G H5'' 1.0 2.270 2.470 419 419 A 42 G H4' A 42 G HO2' 1.0 1.944 2.144 420 420 A 42 G H8 A 42 G H4' 1.0 4.309 4.509 421 421 A 42 G H4' A 43 G H5' 1.0 4.067 4.267 422 422 A 42 G H5' A 42 G H5'' 1.0 1.676 1.876 423 423 A 42 G H5' A 42 G HO2' 1.0 4.310 4.510 424 424 A 42 G H5' A 42 G H8 1.0 3.464 3.664 425 425 A 42 G H5'' A 42 G HO2' 1.0 4.210 4.410 426 426 A 42 G H8 A 42 G H5'' 1.0 4.268 4.468 427 427 A 42 G HO2' A 43 G H5' 1.0 2.841 3.041 428 428 A 42 G HO2' A 43 G H5'' 1.0 4.502 4.702 429 429 A 42 G HO2' A 43 G H8 1.0 4.447 4.647 430 430 A 42 G H21 A 42 G H22 1.0 1.684 1.884 431 431 A 42 G H1 A 42 G H21 1.0 3.379 3.579 432 432 A 42 G H21 A 43 G H1' 1.0 3.155 3.355 433 433 A 42 G H21 A 43 G H8 1.0 4.775 4.975 434 434 A 29 U H1' A 42 G H21 1.0 4.394 4.594 435 435 A 42 G H1 A 42 G H22 1.0 2.069 2.269 436 436 A 43 G H1' A 42 G H22 1.0 4.105 4.305 437 437 A 42 G H22 A 43 G H2x 1.0 4.672 4.872 438 438 A 42 G H22 A 43 G H1 1.0 4.690 4.890 439 439 A 28 C H1' A 42 G H22 1.0 4.216 4.416 440 440 A 28 C H2' A 42 G H22 1.0 4.566 4.766 441 441 A 28 C H42 A 42 G H22 1.0 4.466 4.666 442 442 A 42 G H8 A 43 G H8 1.0 4.697 4.897 443 443 A 42 G H1 A 43 G H1 1.0 3.982 4.182 444 444 A 27 C H4y A 42 G H1 1.0 4.647 4.847 445 445 A 28 C H41 A 42 G H1 1.0 3.923 4.123 446 446 A 28 C H42 A 42 G H1 1.0 2.378 2.578 447 447 A 43 G H1' A 43 G H2' 1.0 2.705 2.905 448 448 A 43 G H1' A 43 G H3' 1.0 3.757 3.957 449 449 A 43 G H1' A 43 G H4' 1.0 3.297 3.497 450 450 A 43 G H5' A 43 G H1' 1.0 4.477 4.677 451 451 A 43 G H1' A 43 G HO2' 1.0 2.465 2.665 452 452 A 43 G H1' A 43 G H2x 1.0 4.675 4.875 453 453 A 43 G H8 A 43 G H1' 1.0 3.627 3.827 454 454 A 43 G H3' A 43 G H2' 1.0 2.325 2.525 455 455 A 43 G H4' A 43 G H2' 1.0 3.713 3.913 456 456 A 43 G H2' A 43 G HO2' 1.0 2.847 3.047 457 457 A 43 G H2x A 43 G H2' 1.0 4.601 4.801 458 458 A 43 G H8 A 43 G H2' 1.0 4.050 4.250 459 459 A 43 G H3' A 43 G H4' 1.0 2.907 3.107 460 460 A 43 G H5' A 43 G H3' 1.0 3.587 3.787 461 461 A 43 G H3' A 43 G H5'' 1.0 2.985 3.185 462 462 A 43 G H3' A 43 G HO2' 1.0 3.496 3.696 463 463 A 43 G H8 A 43 G H3' 1.0 3.096 3.296 464 464 A 43 G H5' A 43 G H4' 1.0 2.434 2.634 465 465 A 43 G H4' A 43 G H5'' 1.0 2.270 2.470 466 466 A 43 G H4' A 43 G HO2' 1.0 1.943 2.143 467 467 A 43 G H8 A 43 G H4' 1.0 4.310 4.510 468 468 A 43 G H5' A 43 G H5'' 1.0 1.676 1.876 469 469 A 43 G H5' A 43 G HO2' 1.0 4.309 4.509 470 470 A 43 G H5' A 43 G H8 1.0 3.464 3.664 471 471 A 43 G H5'' A 43 G HO2' 1.0 4.209 4.409 472 472 A 43 G H8 A 43 G H5'' 1.0 4.268 4.468 473 473 A 43 G H2x A 43 G H2y 1.0 1.684 1.884 474 474 A 43 G H2x A 43 G H1 1.0 3.379 3.579 475 475 A 28 C H1' A 43 G H2x 1.0 4.393 4.593 476 476 A 43 G H1 A 43 G H2y 1.0 2.068 2.268 477 477 A 27 C H1' A 43 G H2y 1.0 4.217 4.417 478 478 A 27 C H2' A 43 G H2y 1.0 4.567 4.767 479 479 A 27 C H4y A 43 G H2y 1.0 4.466 4.666 480 480 A 28 C H1' A 43 G H2y 1.0 4.273 4.473 481 481 A 28 C H6 A 43 G H2y 1.0 4.861 5.061 482 482 A 27 C H4x A 43 G H1 1.0 3.923 4.123 483 483 A 27 C H4y A 43 G H1 1.0 2.378 2.578 484 484 A 28 C H41 A 43 G H1 1.0 3.985 4.185 485 485 A 28 C H42 A 43 G H1 1.0 3.788 3.988 486 486 A 28 C H5 A 43 G H1 1.0 4.298 4.498 487 487 A 31 C H1' A 32 C H2' 1.0 5.400 8.200 488 488 A 31 C H6 A 32 C H2' 1.0 5.400 8.200 489 489 A 31 C H1' A 32 C H6 1.0 4.560 6.760 490 490 A 31 C H5 A 32 C H6 1.0 4.880 7.280 491 491 A 32 C H6 A 32 C H5 1.0 1.940 2.940 492 492 A 32 C H2' A 32 C H6 1.0 2.960 4.560 493 493 A 32 C H2' A 32 C H5 1.0 4.270 6.270 494 494 A 32 C H6 A 32 C H1' 1.0 2.890 4.290 495 495 A 32 C H2' A 32 C H1' 1.0 1.940 2.940 496 496 A 31 C H5 A 32 C H5 1.0 4.750 7.150 497 497 A 31 C H2' A 32 C H6 1.0 2.110 3.110 498 498 A 31 C H3' A 32 C H6 1.0 2.660 3.860 499 499 A 32 C H6 A 33 U H5 1.0 2.610 4.010 500 500 A 32 C H6 A 33 U H2' 1.0 5.750 8.750 501 501 A 32 C H6 A 32 C H3' 1.0 2.160 3.160 502 502 A 31 C H2' A 32 C H5 1.0 3.950 5.950 503 503 A 31 C H4' A 32 C H6 1.0 4.290 6.490 504 504 A 33 U H5 A 33 U H6 1.0 1.940 2.940 505 505 A 33 U H2' A 33 U H1' 1.0 1.940 2.940 506 506 A 33 U H2' A 33 U H6 1.0 2.990 4.590 507 507 A 33 U H6 A 33 U H1' 1.0 2.890 4.290 508 508 A 33 U H6 A 33 U H3' 1.0 2.140 3.140 509 509 A 33 U H6 A 33 U H4' 1.0 3.160 4.760 510 510 A 33 U H5 A 33 U H3' 1.0 3.780 5.580 511 511 A 32 C H1' A 33 U H6 1.0 4.600 6.800 512 512 A 32 C H2' A 33 U H6 1.0 2.680 4.080 513 513 A 32 C H2' A 33 U H5 1.0 3.230 4.830 514 514 A 33 U H5 A 32 C H3' 1.0 1.950 2.950 515 515 A 34 U H1' A 34 U H2' 1.0 1.940 2.940 516 516 A 34 U H2' A 34 U H6 1.0 3.560 5.560 517 517 A 34 U H6 A 34 U H3' 1.0 3.120 4.720 518 518 A 34 U H1' A 34 U H6 1.0 2.590 3.790 519 519 A 34 U H6 A 34 U H5'' 1.0 1.830 2.630 520 520 A 34 U H6 A 35 A H1' 1.0 3.650 5.650 521 521 A 34 U H6 A 35 A H4' 1.0 5.070 7.670 522 522 A 35 A H1' A 35 A H2' 1.0 1.940 2.940 523 523 A 35 A H2' A 35 A H8 1.0 3.420 5.220 524 524 A 35 A H1' A 35 A H8 1.0 2.850 4.250 525 525 A 35 A H8 A 35 A H3' 1.0 3.030 4.430 526 526 A 35 A H4' A 35 A H8 1.0 3.270 4.870 527 527 A 35 A H1' A 35 A H4' 1.0 3.040 4.440 528 528 A 35 A H2 A 37 A H1' 1.0 4.630 7.030 529 529 A 33 U H1' A 35 A H8 1.0 3.630 5.630 530 530 A 35 A H2 A 36 C H1' 1.0 3.420 5.220 531 531 A 34 U H1' A 35 A H8 1.0 5.110 7.710 532 532 A 34 U H2' A 35 A H8 1.0 3.810 5.810 533 533 A 34 U H3' A 35 A H8 1.0 2.900 4.300 534 534 A 36 C H1' A 36 C H2' 1.0 1.940 2.940 535 535 A 36 C H6 A 36 C H5 1.0 1.840 2.940 536 536 A 36 C H2' A 36 C H6 1.0 3.220 4.820 537 537 A 36 C H1' A 36 C H6 1.0 2.770 4.170 538 538 A 36 C H6 A 36 C H3' 1.0 2.720 3.920 539 539 A 36 C H6 A 36 C H4' 1.0 3.240 4.840 540 540 A 35 A H2' A 36 C H6 1.0 2.150 3.350 541 541 A 35 A H3' A 36 C H6 1.0 2.410 3.610 542 542 A 33 U H1' A 36 C H6 1.0 4.200 6.200 543 543 A 37 A H1' A 36 C H6 1.0 3.610 5.410 544 544 A 35 A H4' A 36 C H1' 1.0 6.100 9.300 545 545 A 35 A H2' A 36 C H5 1.0 3.640 5.440 546 546 A 37 A H1' A 37 A H8 1.0 2.980 4.580 547 547 A 37 A H8 A 37 A H3' 1.0 2.190 3.390 548 548 A 37 A H8 A 37 A H2' 1.0 3.260 4.860 549 549 A 37 A H8 A 37 A H4' 1.0 3.480 5.080 550 550 A 37 A H1' A 37 A H4' 1.0 2.760 4.160 551 551 A 37 A H1' A 37 A H3' 1.0 3.170 4.570 552 552 A 37 A H1' A 37 A H2' 1.0 1.940 2.940 553 553 A 37 A H2 A 38 A H1' 1.0 3.400 5.000 554 554 A 33 U H1' A 37 A H2 1.0 5.300 7.900 555 555 A 38 A H1' A 38 A H8 1.0 2.880 4.280 556 556 A 38 A H8 A 38 A H4' 1.0 3.440 5.040 557 557 A 38 A H8 A 38 A H2' 1.0 3.060 4.460 558 558 A 38 A H8 A 38 A H3' 1.0 2.250 3.250 559 559 A 39 G H8 A 38 A H2' 1.0 1.950 2.950 560 560 A 39 G H8 A 38 A H3' 1.0 1.820 2.820 561 561 A 39 G H1' A 38 A H2 1.0 2.960 4.360 562 562 A 39 G H8 A 38 A H1' 1.0 4.210 6.210 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 32 C O4' A 32 C C4' A 32 C C3' A 32 C C2' 1.0 -51.1 -21.1 . 2 2 A 32 C C4' A 32 C C3' A 32 C C2' A 32 C C1' 1.0 22.3 52.3 . 3 3 A 32 C C3' A 32 C C2' A 32 C C1' A 32 C O4' 1.0 -40.8 -10.8 . 4 4 A 33 U O4' A 33 U C4' A 33 U C3' A 33 U C2' 1.0 -51.1 -21.1 . 5 5 A 33 U C4' A 33 U C3' A 33 U C2' A 33 U C1' 1.0 22.3 52.3 . 6 6 A 33 U C3' A 33 U C2' A 33 U C1' A 33 U O4' 1.0 -40.8 -10.8 . 7 7 A 38 A O4' A 38 A C4' A 38 A C3' A 38 A C2' 1.0 -51.1 -21.1 . 8 8 A 38 A C4' A 38 A C3' A 38 A C2' A 38 A C1' 1.0 22.3 52.3 . 9 9 A 38 A C3' A 38 A C2' A 38 A C1' A 38 A O4' 1.0 -40.8 -10.8 . 10 10 A 31 C O3' A 32 C P A 32 C O5' A 32 C C5' 1.0 -98.0 -38.0 ALPHA 11 11 A 32 C O3' A 33 U P A 33 U O5' A 33 U C5' 1.0 -98.0 -38.0 ALPHA 12 12 A 33 U O3' A 34 U P A 34 U O5' A 34 U C5' 1.0 -98.0 -38.0 ALPHA 13 13 A 37 A O3' A 38 A P A 38 A O5' A 38 A C5' 1.0 -98.0 -38.0 ALPHA 14 14 A 32 C P A 32 C O5' A 32 C C5' A 32 C C4' 1.0 148.0 208.0 BETA 15 15 A 33 U P A 33 U O5' A 33 U C5' A 33 U C4' 1.0 148.0 208.0 BETA 16 16 A 34 U P A 34 U O5' A 34 U C5' A 34 U C4' 1.0 148.0 208.0 BETA 17 17 A 35 A P A 35 A O5' A 35 A C5' A 35 A C4' 1.0 148.0 208.0 BETA 18 18 A 36 C P A 36 C O5' A 36 C C5' A 36 C C4' 1.0 148.0 208.0 BETA 19 19 A 37 A P A 37 A O5' A 37 A C5' A 37 A C4' 1.0 148.0 208.0 BETA 20 20 A 32 C O4' A 32 C C1' A 32 C N1 A 32 C C2 1.0 -188.0 -128.0 CHI 21 21 A 33 U O4' A 33 U C1' A 33 U N1 A 33 U C2 1.0 -188.0 -128.0 CHI 22 22 A 34 U O4' A 34 U C1' A 34 U N1 A 34 U C2 1.0 -188.0 -128.0 CHI 23 23 A 35 A O4' A 35 A C1' A 35 A N9 A 35 A C4 1.0 -188.0 -128.0 CHI 24 24 A 36 C O4' A 36 C C1' A 36 C N1 A 36 C C2 1.0 -188.0 -128.0 CHI 25 25 A 37 A O4' A 37 A C1' A 37 A N9 A 37 A C4 1.0 -188.0 -128.0 CHI 26 26 A 38 A O4' A 38 A C1' A 38 A N9 A 38 A C4 1.0 -188.0 -128.0 CHI 27 27 A 32 C C4' A 32 C C3' A 32 C O3' A 33 U P 1.0 -183.0 -123.0 EPSILON 28 28 A 33 U C4' A 33 U C3' A 33 U O3' A 34 U P 1.0 -183.0 -123.0 EPSILON 29 29 A 34 U C4' A 34 U C3' A 34 U O3' A 35 A P 1.0 -183.0 -123.0 EPSILON 30 30 A 35 A C4' A 35 A C3' A 35 A O3' A 36 C P 1.0 -183.0 -123.0 EPSILON 31 31 A 36 C C4' A 36 C C3' A 36 C O3' A 37 A P 1.0 -183.0 -123.0 EPSILON 32 32 A 37 A C4' A 37 A C3' A 37 A O3' A 38 A P 1.0 -183.0 -123.0 EPSILON 33 33 A 38 A C4' A 38 A C3' A 38 A O3' A 39 G P 1.0 -183.0 -123.0 EPSILON 34 34 A 32 C C3' A 32 C O3' A 33 U P A 33 U O5' 1.0 -101.0 -41.0 ZETA 35 35 A 35 A C3' A 35 A O3' A 36 C P A 36 C O5' 1.0 -101.0 -41.0 ZETA 36 36 A 36 C C3' A 36 C O3' A 37 A P A 37 A O5' 1.0 -101.0 -41.0 ZETA 37 37 A 38 A C3' A 38 A O3' A 39 G P A 39 G O5' 1.0 -101.0 -41.0 ZETA 38 38 A 27 C C4' A 27 C O4' A 27 C C1' A 27 C C2' 1.0 -27.0 33.0 NU0 39 39 A 27 C O4' A 27 C C1' A 27 C C2' A 27 C C3' 1.0 -55.0 5.0 NU1 40 40 A 27 C C1' A 27 C C2' A 27 C C3' A 27 C C4' 1.0 7.0 67.0 NU2 41 41 A 27 C C2' A 27 C C3' A 27 C C4' A 27 C O4' 1.0 -66.0 -6.0 NU3 42 42 A 27 C C3' A 27 C C4' A 27 C O4' A 27 C C1' 1.0 -9.0 51.0 NU4 43 43 A 28 C C4' A 28 C O4' A 28 C C1' A 28 C C2' 1.0 -27.0 33.0 NU0 44 44 A 28 C O4' A 28 C C1' A 28 C C2' A 28 C C3' 1.0 -55.0 5.0 NU1 45 45 A 28 C C1' A 28 C C2' A 28 C C3' A 28 C C4' 1.0 7.0 67.0 NU2 46 46 A 28 C C2' A 28 C C3' A 28 C C4' A 28 C O4' 1.0 -66.0 -6.0 NU3 47 47 A 28 C C3' A 28 C C4' A 28 C O4' A 28 C C1' 1.0 -9.0 51.0 NU4 48 48 A 29 U C4' A 29 U O4' A 29 U C1' A 29 U C2' 1.0 -27.0 33.0 NU0 49 49 A 29 U O4' A 29 U C1' A 29 U C2' A 29 U C3' 1.0 -55.0 5.0 NU1 50 50 A 29 U C1' A 29 U C2' A 29 U C3' A 29 U C4' 1.0 7.0 67.0 NU2 51 51 A 29 U C2' A 29 U C3' A 29 U C4' A 29 U O4' 1.0 -66.0 -6.0 NU3 52 52 A 29 U C3' A 29 U C4' A 29 U O4' A 29 U C1' 1.0 -9.0 51.0 NU4 53 53 A 30 C C4' A 30 C O4' A 30 C C1' A 30 C C2' 1.0 -27.0 33.0 NU0 54 54 A 30 C O4' A 30 C C1' A 30 C C2' A 30 C C3' 1.0 -55.0 5.0 NU1 55 55 A 30 C C1' A 30 C C2' A 30 C C3' A 30 C C4' 1.0 7.0 67.0 NU2 56 56 A 30 C C2' A 30 C C3' A 30 C C4' A 30 C O4' 1.0 -66.0 -6.0 NU3 57 57 A 30 C C3' A 30 C C4' A 30 C O4' A 30 C C1' 1.0 -9.0 51.0 NU4 58 58 A 31 C C4' A 31 C O4' A 31 C C1' A 31 C C2' 1.0 -27.0 33.0 NU0 59 59 A 31 C O4' A 31 C C1' A 31 C C2' A 31 C C3' 1.0 -55.0 5.0 NU1 60 60 A 31 C C1' A 31 C C2' A 31 C C3' A 31 C C4' 1.0 7.0 67.0 NU2 61 61 A 31 C C2' A 31 C C3' A 31 C C4' A 31 C O4' 1.0 -66.0 -6.0 NU3 62 62 A 31 C C3' A 31 C C4' A 31 C O4' A 31 C C1' 1.0 -9.0 51.0 NU4 63 63 A 39 G C4' A 39 G O4' A 39 G C1' A 39 G C2' 1.0 -27.0 33.0 NU0 64 64 A 39 G O4' A 39 G C1' A 39 G C2' A 39 G C3' 1.0 -55.0 5.0 NU1 65 65 A 39 G C1' A 39 G C2' A 39 G C3' A 39 G C4' 1.0 7.0 67.0 NU2 66 66 A 39 G C2' A 39 G C3' A 39 G C4' A 39 G O4' 1.0 -66.0 -6.0 NU3 67 67 A 39 G C3' A 39 G C4' A 39 G O4' A 39 G C1' 1.0 -9.0 51.0 NU4 68 68 A 40 G C4' A 40 G O4' A 40 G C1' A 40 G C2' 1.0 -27.0 33.0 NU0 69 69 A 40 G O4' A 40 G C1' A 40 G C2' A 40 G C3' 1.0 -55.0 5.0 NU1 70 70 A 40 G C1' A 40 G C2' A 40 G C3' A 40 G C4' 1.0 7.0 67.0 NU2 71 71 A 40 G C2' A 40 G C3' A 40 G C4' A 40 G O4' 1.0 -66.0 -6.0 NU3 72 72 A 40 G C3' A 40 G C4' A 40 G O4' A 40 G C1' 1.0 -9.0 51.0 NU4 73 73 A 41 A C4' A 41 A O4' A 41 A C1' A 41 A C2' 1.0 -27.0 33.0 NU0 74 74 A 41 A O4' A 41 A C1' A 41 A C2' A 41 A C3' 1.0 -55.0 5.0 NU1 75 75 A 41 A C1' A 41 A C2' A 41 A C3' A 41 A C4' 1.0 7.0 67.0 NU2 76 76 A 41 A C2' A 41 A C3' A 41 A C4' A 41 A O4' 1.0 -66.0 -6.0 NU3 77 77 A 41 A C3' A 41 A C4' A 41 A O4' A 41 A C1' 1.0 -9.0 51.0 NU4 78 78 A 42 G C4' A 42 G O4' A 42 G C1' A 42 G C2' 1.0 -27.0 33.0 NU0 79 79 A 42 G O4' A 42 G C1' A 42 G C2' A 42 G C3' 1.0 -55.0 5.0 NU1 80 80 A 42 G C1' A 42 G C2' A 42 G C3' A 42 G C4' 1.0 7.0 67.0 NU2 81 81 A 42 G C2' A 42 G C3' A 42 G C4' A 42 G O4' 1.0 -66.0 -6.0 NU3 82 82 A 42 G C3' A 42 G C4' A 42 G O4' A 42 G C1' 1.0 -9.0 51.0 NU4 83 83 A 27 C O3' A 28 C P A 28 C O5' A 28 C C5' 1.0 -83.0 -53.0 ALPHA 84 84 A 28 C O3' A 29 U P A 29 U O5' A 29 U C5' 1.0 -83.0 -53.0 ALPHA 85 85 A 29 U O3' A 30 C P A 30 C O5' A 30 C C5' 1.0 -83.0 -53.0 ALPHA 86 86 A 30 C O3' A 31 C P A 31 C O5' A 31 C C5' 1.0 -83.0 -53.0 ALPHA 87 87 A 38 A O3' A 39 G P A 39 G O5' A 39 G C5' 1.0 -83.0 -53.0 ALPHA 88 88 A 39 G O3' A 40 G P A 40 G O5' A 40 G C5' 1.0 -83.0 -53.0 ALPHA 89 89 A 40 G O3' A 41 A P A 41 A O5' A 41 A C5' 1.0 -83.0 -53.0 ALPHA 90 90 A 41 A O3' A 42 G P A 42 G O5' A 42 G C5' 1.0 -83.0 -53.0 ALPHA 91 91 A 42 G O3' A 43 G P A 43 G O5' A 43 G C5' 1.0 -83.0 -53.0 ALPHA 92 92 A 28 C P A 28 C O5' A 28 C C5' A 28 C C4' 1.0 163.0 193.0 BETA 93 93 A 29 U P A 29 U O5' A 29 U C5' A 29 U C4' 1.0 163.0 193.0 BETA 94 94 A 30 C P A 30 C O5' A 30 C C5' A 30 C C4' 1.0 163.0 193.0 BETA 95 95 A 31 C P A 31 C O5' A 31 C C5' A 31 C C4' 1.0 163.0 193.0 BETA 96 96 A 39 G P A 39 G O5' A 39 G C5' A 39 G C4' 1.0 163.0 193.0 BETA 97 97 A 40 G P A 40 G O5' A 40 G C5' A 40 G C4' 1.0 163.0 193.0 BETA 98 98 A 41 A P A 41 A O5' A 41 A C5' A 41 A C4' 1.0 163.0 193.0 BETA 99 99 A 42 G P A 42 G O5' A 42 G C5' A 42 G C4' 1.0 163.0 193.0 BETA 100 100 A 43 G P A 43 G O5' A 43 G C5' A 43 G C4' 1.0 163.0 193.0 BETA 101 101 A 27 C O4' A 27 C C1' A 27 C N1 A 27 C C2 1.0 -173.0 -143.0 CHI 102 102 A 28 C O4' A 28 C C1' A 28 C N1 A 28 C C2 1.0 -173.0 -143.0 CHI 103 103 A 29 U O4' A 29 U C1' A 29 U N1 A 29 U C2 1.0 -173.0 -143.0 CHI 104 104 A 30 C O4' A 30 C C1' A 30 C N1 A 30 C C2 1.0 -173.0 -143.0 CHI 105 105 A 31 C O4' A 31 C C1' A 31 C N1 A 31 C C2 1.0 -173.0 -143.0 CHI 106 106 A 39 G O4' A 39 G C1' A 39 G N9 A 39 G C4 1.0 -173.0 -143.0 CHI 107 107 A 40 G O4' A 40 G C1' A 40 G N9 A 40 G C4 1.0 -173.0 -143.0 CHI 108 108 A 41 A O4' A 41 A C1' A 41 A N9 A 41 A C4 1.0 -173.0 -143.0 CHI 109 109 A 42 G O4' A 42 G C1' A 42 G N9 A 42 G C4 1.0 -173.0 -143.0 CHI 110 110 A 43 G O4' A 43 G C1' A 43 G N9 A 43 G C4 1.0 -173.0 -143.0 CHI 111 111 A 27 C C4' A 27 C C3' A 27 C O3' A 28 C P 1.0 -168.0 -138.0 EPSILON 112 112 A 28 C C4' A 28 C C3' A 28 C O3' A 29 U P 1.0 -168.0 -138.0 EPSILON 113 113 A 29 U C4' A 29 U C3' A 29 U O3' A 30 C P 1.0 -168.0 -138.0 EPSILON 114 114 A 30 C C4' A 30 C C3' A 30 C O3' A 31 C P 1.0 -168.0 -138.0 EPSILON 115 115 A 31 C C4' A 31 C C3' A 31 C O3' A 32 C P 1.0 -168.0 -138.0 EPSILON 116 116 A 39 G C4' A 39 G C3' A 39 G O3' A 40 G P 1.0 -168.0 -138.0 EPSILON 117 117 A 40 G C4' A 40 G C3' A 40 G O3' A 41 A P 1.0 -168.0 -138.0 EPSILON 118 118 A 41 A C4' A 41 A C3' A 41 A O3' A 42 G P 1.0 -168.0 -138.0 EPSILON 119 119 A 42 G C4' A 42 G C3' A 42 G O3' A 43 G P 1.0 -168.0 -138.0 EPSILON stop_ save_