data_nef_c17401_2l8u 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 C start . . 2 A 2 C middle . . 3 A 3 G middle . . 4 A 4 C middle . . 5 A 5 U middle . . 6 A 6 G middle . . 7 A 7 C middle . . 8 A 8 G middle . . 9 A 9 G end . . 10 B 10 C start . . 11 B 11 C middle . . 12 B 12 G middle . . 13 B 13 C middle . . 14 B 14 U middle . . 15 B 15 G middle . . 16 B 16 C middle . . 17 B 17 G middle . . 18 B 18 G end . . stop_ save_ save_r(CCGCUGCGG) _nef_chemical_shift_list.sf_category nef_chemical_shift_list _nef_chemical_shift_list.sf_framecode r(CCGCUGCGG) 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 C H1' H 1 5.438 . A 1 C H2' H 1 4.461 . A 1 C H3' H 1 4.493 . A 1 C H4' H 1 4.338 . A 1 C H5 H 1 6.009 . A 1 C H5' H 1 4.055 . A 1 C H5'' H 1 3.929 . A 1 C H6 H 1 8.048 . A 2 C H1' H 1 5.642 . A 2 C H2' H 1 4.597 . A 2 C H3' H 1 4.694 . A 2 C H5 H 1 5.636 . A 2 C H6 H 1 7.983 . A 3 G H1' H 1 5.774 . A 3 G H2' H 1 4.557 . A 3 G H3' H 1 4.690 . A 3 G H5'' H 1 4.185 . A 3 G H8 H 1 7.656 . A 4 C H1' H 1 5.568 . A 4 C H2' H 1 4.385 . A 4 C H3' H 1 4.455 . A 4 C H5 H 1 5.290 . A 4 C H6 H 1 7.622 . A 5 U H1' H 1 5.531 . A 5 U H2' H 1 4.324 . A 5 U H3' H 1 4.465 . A 5 U H5 H 1 5.542 . A 5 U H5'' H 1 4.134 . A 5 U H6 H 1 7.651 . A 6 G H1' H 1 5.808 . A 6 G H2' H 1 4.556 . A 6 G H3' H 1 4.678 . A 6 G H5' H 1 4.165 . A 6 G H8 H 1 7.838 . A 7 C H1' H 1 5.586 . A 7 C H2' H 1 4.618 . A 7 C H3' H 1 4.521 . A 7 C H5 H 1 5.270 . A 7 C H6 H 1 7.677 . A 8 G H1' H 1 5.763 . A 8 G H2' H 1 4.588 . A 8 G H3' H 1 4.530 . A 8 G H5'' H 1 4.141 . A 8 G H8 H 1 7.499 . A 9 G H1' H 1 5.862 . A 9 G H2' H 1 4.086 . A 9 G H3' H 1 4.255 . A 9 G H8 H 1 7.364 . 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 C H6 A 1 C H5 1.0 2.40 3.10 2 2 A 1 C H6 A 1 C H5 1.0 2.40 3.10 3 3 A 1 C H2' A 1 C H1' 1.0 2.60 4.25 4 4 A 1 C H6 A 1 C H2' 1.0 2.60 4.25 5 5 A 1 C H6 A 1 C H3' 1.0 2.60 4.25 6 6 A 1 C H6 A 1 C H4' 1.0 4.50 6.00 7 7 A 1 C H1' A 1 C H3' 1.0 3.75 5.50 8 8 A 1 C H6 A 1 C H1' 1.0 3.75 5.50 9 9 A 1 C H6 A 1 C H5' 1.0 3.75 5.50 10 10 A 1 C H6 A 1 C H5'' 1.0 3.75 5.50 11 11 A 1 C H2' A 2 C H6 1.0 2.00 3.10 12 12 A 1 C H2' A 2 C H5 1.0 2.60 4.25 13 13 A 1 C H6 A 2 C H6 1.0 3.75 5.50 14 14 A 1 C H5 A 2 C H5 1.0 2.60 4.25 15 15 A 1 C H1' A 2 C H6 1.0 3.75 5.50 16 16 A 1 C H3' A 2 C H6 1.0 3.75 5.50 17 17 A 1 C H1' A 2 C H5 1.0 3.75 5.50 18 18 A 2 C H6 A 2 C H5 1.0 2.40 3.10 19 19 A 2 C H6 A 2 C H5 1.0 2.40 3.10 20 20 A 2 C H2' A 2 C H1' 1.0 2.60 4.25 21 21 A 2 C H6 A 2 C H2' 1.0 2.60 4.25 22 22 A 2 C H6 A 2 C H3' 1.0 2.60 4.25 23 23 A 2 C H6 A 2 C H1' 1.0 3.75 5.50 24 24 A 2 C H1' A 3 G H8 1.0 2.60 5.00 25 25 A 2 C H2' A 3 G H8 1.0 2.00 3.10 26 26 A 2 C H6 A 3 G H8 1.0 3.75 5.50 27 27 A 3 G H2' A 3 G H1' 1.0 2.60 5.50 28 28 A 3 G H8 A 3 G H2' 1.0 2.60 5.00 29 29 A 3 G H8 A 3 G H3' 1.0 2.60 4.25 30 30 A 3 G H8 A 3 G H1' 1.0 3.75 5.50 31 31 A 3 G H8 A 3 G H5' 1.0 3.75 5.50 32 32 A 3 G H1' A 4 C H6 1.0 3.75 6.00 33 33 A 3 G H2' A 4 C H6 1.0 2.00 3.10 34 34 A 4 C H6 A 4 C H3' 1.0 2.60 5.50 35 35 A 4 C H6 A 4 C H5 1.0 2.40 3.10 36 36 A 4 C H6 A 4 C H5 1.0 2.40 3.10 37 37 A 4 C H2' A 4 C H1' 1.0 2.60 4.25 38 38 A 4 C H6 A 4 C H2' 1.0 2.60 4.25 39 39 A 4 C H6 A 4 C H1' 1.0 3.75 5.50 40 40 A 4 C H5 A 4 C H2' 1.0 3.75 5.50 41 41 A 4 C H2' A 5 U H6 1.0 2.60 5.50 42 42 A 4 C H2' A 5 U H5 1.0 2.60 5.50 43 43 A 4 C H5 A 5 U H5 1.0 2.60 4.25 44 44 A 4 C H1' A 5 U H6 1.0 3.75 5.50 45 45 A 4 C H3' A 5 U H6 1.0 2.60 5.50 46 46 A 5 U H6 A 5 U H1' 1.0 2.60 5.00 47 47 A 5 U H6 A 5 U H5 1.0 2.40 3.10 48 48 A 5 U H1' A 5 U H2' 1.0 2.60 4.25 49 49 A 5 U H6 A 5 U H2' 1.0 2.60 4.25 50 50 A 5 U H2' A 5 U H3' 1.0 2.00 3.10 51 51 A 5 U H6 A 5 U H5' 1.0 3.75 5.50 52 52 A 5 U H6 A 5 U H3' 1.0 3.75 5.50 53 53 A 5 U H3' A 6 G H8 1.0 2.60 5.50 54 54 A 5 U H2' A 6 G H8 1.0 2.00 3.10 55 55 A 5 U H1' A 6 G H8 1.0 3.75 5.50 56 56 A 5 U H6 A 6 G H8 1.0 3.75 5.50 57 57 A 5 U H2' A 6 G H1' 1.0 3.75 5.50 58 58 A 6 G H1' A 6 G H2' 1.0 2.60 4.25 59 59 A 6 G H8 A 6 G H2' 1.0 2.60 4.25 60 60 A 6 G H8 A 6 G H3' 1.0 2.60 4.25 61 61 A 6 G H8 A 6 G H1' 1.0 3.75 5.50 62 62 A 6 G H8 A 6 G H5' 1.0 3.75 5.50 63 63 A 6 G H1' A 7 C H6 1.0 3.75 5.50 64 64 A 6 G H2' A 7 C H5 1.0 2.60 5.00 65 65 A 6 G H1' A 7 C H5 1.0 2.60 5.00 66 66 A 6 G H8 A 7 C H5 1.0 3.75 6.00 67 67 A 6 G H2' A 7 C H6 1.0 2.00 3.10 68 68 A 7 C H6 A 7 C H3' 1.0 3.75 5.50 69 69 A 7 C H6 A 7 C H5 1.0 2.40 3.10 70 70 A 7 C H2' A 7 C H1' 1.0 2.60 4.25 71 71 A 7 C H6 A 7 C H2' 1.0 3.75 5.50 72 72 A 7 C H6 A 7 C H1' 1.0 3.50 5.50 73 73 A 7 C H2' A 8 G H8 1.0 2.00 3.10 74 74 A 7 C H1' A 8 G H8 1.0 3.75 5.50 75 75 A 7 C H5 A 8 G H8 1.0 3.75 5.50 76 76 A 7 C H6 A 8 G H8 1.0 3.75 6.00 77 77 A 7 C H3' A 8 G H8 1.0 2.60 4.25 78 78 A 7 C H6 A 8 G H8 1.0 3.75 5.50 79 79 A 8 G H2' A 8 G H1' 1.0 2.60 4.25 80 80 A 8 G H8 A 8 G H1' 1.0 2.60 4.25 81 81 A 8 G H8 A 8 G H3' 1.0 2.60 4.25 82 82 A 8 G H8 A 8 G H5' 1.0 3.75 5.50 83 83 A 8 G H8 A 8 G H2' 1.0 3.75 5.50 84 84 A 8 G H3' A 9 G H8 1.0 2.60 4.25 85 85 A 8 G H2' A 9 G H8 1.0 2.00 3.10 86 86 A 8 G H1' A 9 G H8 1.0 3.75 5.50 87 87 A 8 G H8 A 9 G H8 1.0 3.75 6.00 88 88 A 9 G H8 A 9 G H2' 1.0 2.60 4.25 89 89 A 9 G H8 A 9 G H3' 1.0 2.60 4.25 90 90 A 9 G H2' A 9 G H3' 1.0 2.00 3.10 91 91 A 9 G H8 A 9 G H1' 1.0 3.75 5.50 92 92 B 10 C H6 B 10 C H5 1.0 2.40 3.10 93 93 B 10 C H6 B 10 C H5 1.0 2.40 3.10 94 94 B 10 C H2' B 10 C H1' 1.0 2.60 4.25 95 95 B 10 C H6 B 10 C H5' 1.0 2.60 4.25 96 96 B 10 C H6 B 10 C H2' 1.0 2.60 4.25 97 97 B 10 C H6 B 10 C H3' 1.0 2.60 4.25 98 98 B 10 C H6 B 10 C H1' 1.0 3.75 5.50 99 99 B 10 C H6 B 10 C H5'' 1.0 3.75 5.50 100 100 B 10 C H2' B 11 C H6 1.0 2.00 3.10 101 101 B 10 C H2' B 11 C H5 1.0 2.60 4.25 102 102 B 10 C H6 B 11 C H6 1.0 3.75 5.50 103 103 B 10 C H1' B 11 C H5 1.0 3.75 5.50 104 104 B 10 C H1' B 11 C H6 1.0 3.75 5.50 105 105 B 10 C H3' B 11 C H6 1.0 3.75 5.50 106 106 B 10 C H5 B 11 C H5 1.0 2.60 4.25 107 107 B 11 C H6 B 11 C H5 1.0 2.40 3.10 108 108 B 11 C H6 B 11 C H5 1.0 2.40 3.10 109 109 B 11 C H2' B 11 C H1' 1.0 2.60 4.25 110 110 B 11 C H6 B 11 C H2' 1.0 2.60 4.25 111 111 B 11 C H6 B 11 C H3' 1.0 2.60 4.25 112 112 B 11 C H6 B 11 C H1' 1.0 3.75 5.50 113 113 B 11 C H2' B 12 G H8 1.0 2.00 3.10 114 114 B 11 C H6 B 12 G H8 1.0 3.75 5.50 115 115 B 11 C H1' B 12 G H8 1.0 2.60 5.00 116 116 B 12 G H2' B 12 G H1' 1.0 2.60 5.50 117 117 B 12 G H8 B 12 G H2' 1.0 2.60 5.00 118 118 B 12 G H8 B 12 G H3' 1.0 2.60 4.25 119 119 B 12 G H8 B 12 G H1' 1.0 3.75 5.50 120 120 B 12 G H8 B 12 G H5' 1.0 3.75 5.50 121 121 B 12 G H2' B 13 C H6 1.0 2.00 3.10 122 122 B 12 G H1' B 13 C H6 1.0 3.75 5.50 123 123 B 13 C H6 B 13 C H3' 1.0 2.60 6.00 124 124 B 13 C H6 B 13 C H5 1.0 2.40 3.10 125 125 B 13 C H6 B 13 C H5 1.0 2.40 3.10 126 126 B 13 C H2' B 13 C H1' 1.0 2.60 4.25 127 127 B 13 C H6 B 13 C H2' 1.0 2.60 4.25 128 128 B 13 C H6 B 13 C H1' 1.0 3.75 5.50 129 129 B 13 C H5 B 13 C H2' 1.0 3.75 5.50 130 130 B 13 C H2' B 14 U H6 1.0 2.60 5.50 131 131 B 13 C H2' B 14 U H5 1.0 2.60 5.50 132 132 B 13 C H5 B 14 U H5 1.0 2.60 4.25 133 133 B 13 C H1' B 14 U H6 1.0 3.75 5.50 134 134 B 13 C H3' B 14 U H6 1.0 2.60 5.50 135 135 B 14 U H6 B 14 U H1' 1.0 2.60 5.00 136 136 B 14 U H6 B 14 U H5 1.0 2.40 3.10 137 137 B 14 U H1' B 14 U H2' 1.0 2.60 4.25 138 138 B 14 U H6 B 14 U H2' 1.0 2.60 4.25 139 139 B 14 U H2' B 14 U H3' 1.0 2.00 3.10 140 140 B 14 U H6 B 14 U H5' 1.0 3.75 5.50 141 141 B 14 U H6 B 14 U H3' 1.0 3.75 5.50 142 142 B 14 U H2' B 15 G H8 1.0 2.00 3.10 143 143 B 14 U H1' B 15 G H8 1.0 3.75 5.50 144 144 B 14 U H6 B 15 G H8 1.0 3.75 5.50 145 145 B 14 U H2' B 15 G H1' 1.0 3.75 5.50 146 146 B 14 U H3' B 15 G H8 1.0 2.60 5.50 147 147 B 15 G H1' B 15 G H2' 1.0 2.60 4.25 148 148 B 15 G H8 B 15 G H2' 1.0 2.60 4.25 149 149 B 15 G H8 B 15 G H3' 1.0 2.60 4.25 150 150 B 15 G H8 B 15 G H1' 1.0 3.75 5.50 151 151 B 15 G H8 B 15 G H5' 1.0 3.75 5.50 152 152 B 15 G H1' B 16 C H6 1.0 3.75 5.50 153 153 B 15 G H1' B 16 C H5 1.0 2.60 5.00 154 154 B 15 G H2' B 16 C H5 1.0 2.00 4.25 155 155 B 15 G H2' B 16 C H6 1.0 2.00 3.10 156 156 B 15 G H8 B 16 C H5 1.0 3.75 6.00 157 157 B 16 C H6 B 16 C H2' 1.0 3.75 5.50 158 158 B 16 C H6 B 16 C H3' 1.0 3.75 5.50 159 159 B 16 C H6 B 16 C H5 1.0 2.40 3.10 160 160 B 16 C H2' B 16 C H1' 1.0 2.60 4.25 161 161 B 16 C H6 B 16 C H1' 1.0 3.50 5.50 162 162 B 16 C H2' B 17 G H8 1.0 2.00 3.10 163 163 B 16 C H1' B 17 G H8 1.0 3.75 5.50 164 164 B 16 C H5 B 17 G H8 1.0 3.75 6.00 165 165 B 16 C H3' B 17 G H8 1.0 2.60 4.25 166 166 B 16 C H6 B 17 G H8 1.0 3.75 6.00 167 167 B 17 G H2' B 17 G H1' 1.0 2.60 4.25 168 168 B 17 G H8 B 17 G H1' 1.0 2.60 4.25 169 169 B 17 G H8 B 17 G H3' 1.0 2.60 4.25 170 170 B 17 G H8 B 17 G H5' 1.0 3.75 5.50 171 171 B 17 G H8 B 17 G H2' 1.0 3.75 5.50 172 172 B 17 G H3' B 18 G H8 1.0 2.60 4.25 173 173 B 17 G H2' B 18 G H8 1.0 2.00 3.10 174 174 B 17 G H1' B 18 G H8 1.0 3.75 5.50 175 175 B 17 G H8 B 18 G H8 1.0 3.75 6.00 176 176 B 18 G H8 B 18 G H2' 1.0 2.60 4.25 177 177 B 18 G H8 B 18 G H3' 1.0 2.60 4.25 178 178 B 18 G H2' B 18 G H3' 1.0 2.00 3.10 179 179 B 18 G H8 B 18 G H1' 1.0 3.75 5.50 180 180 A 1 C C1' B 18 G C1' 1.0 10.60 11.40 181 181 A 2 C C1' B 17 G C1' 1.0 10.60 11.40 182 182 A 3 G C1' B 16 C C1' 1.0 10.60 11.40 183 183 A 4 C C1' B 15 G C1' 1.0 10.60 11.40 184 184 A 6 G C1' B 13 C C1' 1.0 10.60 11.40 185 185 A 7 C C1' B 12 G C1' 1.0 10.60 11.40 186 186 A 8 G C1' B 11 C C1' 1.0 10.60 11.40 187 187 A 9 G C1' B 10 C C1' 1.0 10.60 11.40 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 C O2 B 18 G H2x 1.0 1.8 2.5 2 2 A 1 C O2 B 18 G N2 1.0 2.7 3.5 3 3 A 1 C N3 B 18 G H1 1.0 1.8 2.5 4 4 A 1 C N3 B 18 G N1 1.0 2.7 3.5 5 5 A 1 C H4x B 18 G O6 1.0 1.8 2.5 6 6 B 18 G O6 A 1 C N4 1.0 2.7 3.5 7 7 A 2 C O2 B 17 G N2 1.0 2.7 3.5 8 8 A 2 C N3 B 17 G H1 1.0 1.8 2.5 9 9 A 2 C N3 B 17 G N1 1.0 2.7 3.5 10 10 A 2 C H4x B 17 G O6 1.0 1.8 2.5 11 11 B 17 G O6 A 2 C N4 1.0 2.7 3.5 12 12 A 3 G N2 B 16 C O2 1.0 2.7 3.5 13 13 A 3 G H1 B 16 C N3 1.0 1.8 2.5 14 14 B 16 C N3 A 3 G N1 1.0 2.7 3.5 15 15 A 3 G O6 B 16 C H4x 1.0 1.8 2.5 16 16 A 3 G O6 B 16 C N4 1.0 2.7 3.5 17 17 A 4 C O2 B 15 G H2x 1.0 1.8 2.5 18 18 A 4 C O2 B 15 G N2 1.0 2.7 3.5 19 19 A 4 C N3 B 15 G H1 1.0 1.8 2.5 20 20 A 4 C N3 B 15 G N1 1.0 2.7 3.5 21 21 A 4 C H4x B 15 G O6 1.0 1.8 2.5 22 22 B 15 G O6 A 4 C N4 1.0 2.7 3.5 23 23 A 6 G N2 B 13 C O2 1.0 2.7 3.5 24 24 A 6 G H1 B 13 C N3 1.0 1.8 2.5 25 25 B 13 C N3 A 6 G N1 1.0 2.7 3.5 26 26 A 6 G O6 B 13 C H4x 1.0 1.8 2.5 27 27 A 6 G O6 B 13 C N4 1.0 2.7 3.5 28 28 A 7 C O2 B 12 G H2x 1.0 1.8 2.5 29 29 A 7 C O2 B 12 G N2 1.0 2.7 3.5 30 30 A 7 C N3 B 12 G H1 1.0 1.8 2.5 31 31 A 7 C N3 B 12 G N1 1.0 2.7 3.5 32 32 A 7 C H4x B 12 G O6 1.0 1.8 2.5 33 33 B 12 G O6 A 7 C N4 1.0 2.7 3.5 34 34 A 8 G N2 B 11 C O2 1.0 2.7 3.5 35 35 A 8 G H1 B 11 C N3 1.0 1.8 2.5 36 36 B 11 C N3 A 8 G N1 1.0 2.7 3.5 37 37 A 8 G O6 B 11 C H4x 1.0 1.8 2.5 38 38 A 8 G O6 B 11 C N4 1.0 2.7 3.5 39 39 A 9 G N2 B 10 C O2 1.0 2.7 3.5 40 40 A 9 G H1 B 10 C N3 1.0 1.8 2.5 41 41 B 10 C N3 A 9 G N1 1.0 2.7 3.5 42 42 A 9 G O6 B 10 C H4x 1.0 1.8 2.5 43 43 A 9 G O6 B 10 C N4 1.0 2.7 3.5 stop_ save_