data_nef_c18209_2lod 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 DG middle . . 3 A 3 DG middle . . 4 A 4 DA middle . . 5 A 5 DT middle . . 6 A 6 DG middle . . 7 A 7 DG middle . . 8 A 8 DG middle . . 9 A 9 DA middle . . 10 A 10 DC middle . . 11 A 11 DA middle . . 12 A 12 DC middle . . 13 A 13 DA middle . . 14 A 14 DG middle . . 15 A 15 DG middle . . 16 A 16 DG middle . . 17 A 17 DG middle . . 18 A 18 DA middle . . 19 A 19 DC middle . . 20 A 20 DG middle . . 21 A 21 DG middle . . 22 A 22 DG 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 11.630 0.000 A 1 DG H1' H 1 6.194 0.001 A 1 DG H2' H 1 2.743 0.002 A 1 DG H2'' H 1 3.261 0.001 A 1 DG H3' H 1 5.022 0.001 A 1 DG H4' H 1 4.465 0.000 A 1 DG H8 H 1 7.551 0.000 A 2 DG H1 H 1 11.615 0.003 A 2 DG H1' H 1 5.989 0.001 A 2 DG H2' H 1 2.535 0.002 A 2 DG H2'' H 1 2.725 0.002 A 2 DG H3' H 1 5.036 0.000 A 2 DG H4' H 1 4.435 0.003 A 2 DG H8 H 1 7.932 0.001 A 3 DG H1 H 1 11.049 0.000 A 3 DG H1' H 1 6.231 0.001 A 3 DG H2' H 1 2.725 0.002 A 3 DG H2'' H 1 2.624 0.001 A 3 DG H3' H 1 5.040 0.001 A 3 DG H8 H 1 7.626 0.001 A 4 DA H1' H 1 6.590 0.001 A 4 DA H2' H 1 2.908 0.003 A 4 DA H2'' H 1 2.887 0.001 A 4 DA H3' H 1 4.850 0.002 A 4 DA H4' H 1 4.623 0.000 A 4 DA H5' H 1 4.131 0.000 A 4 DA H8 H 1 8.563 0.000 A 5 DT H1' H 1 6.595 0.002 A 5 DT H2'' H 1 2.619 0.001 A 5 DT H3' H 1 5.049 0.001 A 5 DT H4' H 1 4.469 0.003 A 5 DT H5' H 1 4.221 0.000 A 5 DT H5'' H 1 4.284 0.000 A 5 DT H6 H 1 7.850 0.001 A 5 DT H7% H 1 2.002 0.000 A 6 DG H1 H 1 11.587 0.001 A 6 DG H1' H 1 5.977 0.002 A 6 DG H2' H 1 3.054 0.002 A 6 DG H2'' H 1 2.956 0.003 A 6 DG H3' H 1 4.878 0.002 A 6 DG H4' H 1 4.368 0.000 A 6 DG H8 H 1 7.245 0.000 A 7 DG H1 H 1 11.587 0.004 A 7 DG H1' H 1 5.752 0.002 A 7 DG H2' H 1 2.611 0.003 A 7 DG H2'' H 1 2.139 0.000 A 7 DG H3' H 1 5.059 0.002 A 7 DG H4' H 1 4.347 0.000 A 7 DG H8 H 1 7.815 0.001 A 8 DG H1 H 1 11.091 0.001 A 8 DG H1' H 1 5.931 0.000 A 8 DG H2' H 1 2.143 0.001 A 8 DG H2'' H 1 2.424 0.001 A 8 DG H3' H 1 4.935 0.001 A 8 DG H4' H 1 4.429 0.000 A 8 DG H8 H 1 7.535 0.000 A 9 DA H1' H 1 6.045 0.002 A 9 DA H2' H 1 2.698 0.002 A 9 DA H2'' H 1 2.584 0.002 A 9 DA H3' H 1 4.946 0.002 A 9 DA H4' H 1 4.409 0.001 A 9 DA H5' H 1 4.161 0.000 A 9 DA H5'' H 1 4.201 0.000 A 9 DA H8 H 1 8.073 0.001 A 10 DC H1' H 1 5.753 0.002 A 10 DC H2' H 1 1.741 0.002 A 10 DC H2'' H 1 2.141 0.003 A 10 DC H3' H 1 4.599 0.001 A 10 DC H4' H 1 3.975 0.000 A 10 DC H5 H 1 5.852 0.000 A 10 DC H6 H 1 7.592 0.003 A 11 DA H1' H 1 5.735 0.001 A 11 DA H2' H 1 2.304 0.087 A 11 DA H2'' H 1 2.150 0.084 A 11 DA H3' H 1 4.454 0.001 A 11 DA H4' H 1 3.939 0.003 A 11 DA H5' H 1 3.723 0.001 A 11 DA H5'' H 1 3.765 0.000 A 11 DA H8 H 1 7.925 0.002 A 12 DC H1' H 1 5.545 0.001 A 12 DC H2' H 1 1.717 0.001 A 12 DC H2'' H 1 2.076 0.002 A 12 DC H3' H 1 4.412 0.001 A 12 DC H4' H 1 3.563 0.000 A 12 DC H5 H 1 5.260 0.000 A 12 DC H6 H 1 7.171 0.003 A 13 DA H1' H 1 5.842 0.001 A 13 DA H2' H 1 2.384 0.002 A 13 DA H2'' H 1 2.678 0.002 A 13 DA H8 H 1 7.919 0.001 A 14 DG H1 H 1 11.065 0.002 A 14 DG H1' H 1 6.042 0.001 A 14 DG H2' H 1 3.503 0.001 A 14 DG H2'' H 1 3.060 0.002 A 14 DG H3' H 1 4.860 0.000 A 14 DG H4' H 1 4.476 0.003 A 14 DG H8 H 1 7.245 0.000 A 15 DG H1 H 1 11.357 0.001 A 15 DG H1' H 1 5.763 0.001 A 15 DG H2' H 1 2.139 0.000 A 15 DG H2'' H 1 2.521 0.002 A 15 DG H3' H 1 4.976 0.002 A 15 DG H4' H 1 4.236 0.002 A 15 DG H8 H 1 7.357 0.001 A 16 DG H1 H 1 11.609 0.004 A 16 DG H1' H 1 5.939 0.002 A 16 DG H2' H 1 2.557 0.001 A 16 DG H2'' H 1 2.423 0.000 A 16 DG H3' H 1 5.039 0.001 A 16 DG H4' H 1 4.441 0.001 A 16 DG H8 H 1 7.622 0.001 A 17 DG H1' H 1 6.133 0.001 A 17 DG H2' H 1 2.751 0.003 A 17 DG H2'' H 1 2.651 0.004 A 17 DG H3' H 1 4.904 0.001 A 17 DG H4' H 1 4.440 0.001 A 17 DG H8 H 1 8.085 0.001 A 18 DA H1' H 1 6.032 0.003 A 18 DA H2' H 1 2.110 0.001 A 18 DA H2'' H 1 2.346 0.004 A 18 DA H3' H 1 4.717 0.003 A 18 DA H4' H 1 3.872 0.002 A 18 DA H8 H 1 7.794 0.002 A 19 DC H1' H 1 5.751 0.001 A 19 DC H2' H 1 1.763 0.003 A 19 DC H2'' H 1 2.353 0.001 A 19 DC H3' H 1 4.601 0.003 A 19 DC H4' H 1 4.000 0.000 A 19 DC H5 H 1 5.749 0.000 A 19 DC H6 H 1 7.534 0.002 A 20 DG H1 H 1 11.806 0.000 A 20 DG H1' H 1 6.009 0.002 A 20 DG H2' H 1 3.593 0.004 A 20 DG H2'' H 1 2.969 0.003 A 20 DG H3' H 1 4.822 0.002 A 20 DG H4' H 1 4.390 0.000 A 20 DG H8 H 1 7.414 0.001 A 21 DG H1 H 1 11.920 0.000 A 21 DG H1' H 1 5.789 0.001 A 21 DG H2' H 1 2.484 0.001 A 21 DG H2'' H 1 2.693 0.004 A 21 DG H3' H 1 5.036 0.002 A 21 DG H4' H 1 4.352 0.001 A 21 DG H8 H 1 7.876 0.000 A 22 DG H1 H 1 11.231 0.000 A 22 DG H1' H 1 6.261 0.001 A 22 DG H2' H 1 2.494 0.003 A 22 DG H2'' H 1 2.371 0.002 A 22 DG H3' H 1 4.653 0.001 A 22 DG H4' H 1 4.297 0.002 A 22 DG H8 H 1 7.741 0.001 stop_ save_ save_AMBER_distance_constraints_2 _nef_distance_restraint_list.sf_category nef_distance_restraint_list _nef_distance_restraint_list.sf_framecode AMBER_distance_constraints_2 _nef_distance_restraint_list.restraint_origin noe _nef_distance_restraint_list.potential_type . 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 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 20 DG N7 A 16 DG H2x 1.0 1.9 2.6 2 2 A 1 DG O6 A 6 DG H1 1.0 1.7 2.4 3 3 A 1 DG N7 A 6 DG H2x 1.0 1.9 2.6 4 4 A 7 DG O6 A 2 DG H1 1.0 1.7 2.4 5 5 A 7 DG N7 A 2 DG H2x 1.0 1.9 2.6 6 6 A 15 DG O6 A 21 DG H1 1.0 1.7 2.4 7 7 A 15 DG N7 A 21 DG H2x 1.0 1.9 2.6 8 8 A 8 DG O6 A 3 DG H1 1.0 1.7 2.4 9 9 A 8 DG N7 A 3 DG H2x 1.0 1.9 2.6 10 10 A 14 DG O6 A 22 DG H1 1.0 1.7 2.4 11 11 A 14 DG N7 A 22 DG H2x 1.0 1.9 2.6 12 12 A 16 DG O6 A 1 DG H1 1.0 1.7 2.4 13 13 A 16 DG N7 A 1 DG H2x 1.0 1.9 2.6 14 14 A 6 DG O6 A 20 DG H1 1.0 1.7 2.4 15 15 A 6 DG N7 A 20 DG H2x 1.0 1.9 2.6 16 16 A 2 DG O6 A 15 DG H1 1.0 1.7 2.4 17 17 A 2 DG N7 A 15 DG H2x 1.0 1.9 2.6 18 18 A 21 DG O6 A 7 DG H1 1.0 1.7 2.4 19 19 A 21 DG N7 A 7 DG H2x 1.0 1.9 2.6 20 20 A 3 DG O6 A 14 DG H1 1.0 1.7 2.4 21 21 A 3 DG N7 A 14 DG H2x 1.0 1.9 2.6 22 22 A 22 DG O6 A 8 DG H1 1.0 1.7 2.4 23 23 A 22 DG N7 A 8 DG H2x 1.0 1.9 2.6 stop_ save_ save_AMBER_dihedral_4 _nef_dihedral_restraint_list.sf_category nef_dihedral_restraint_list _nef_dihedral_restraint_list.sf_framecode AMBER_dihedral_4 _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 O4' A 1 DG C1' A 1 DG N9 A 1 DG C4 1.0 0.0 110.0 CHI 2 2 A 2 DG O4' A 2 DG C1' A 2 DG N9 A 2 DG C4 1.0 170.0 310.0 CHI 3 3 A 3 DG O4' A 3 DG C1' A 3 DG N9 A 3 DG C4 1.0 170.0 310.0 CHI 4 4 A 4 DA O4' A 4 DA C1' A 4 DA N9 A 4 DA C4 1.0 170.0 310.0 CHI 5 5 A 5 DT O4' A 5 DT C1' A 5 DT N1 A 5 DT C2 1.0 170.0 310.0 CHI 6 6 A 6 DG O4' A 6 DG C1' A 6 DG N9 A 6 DG C4 1.0 0.0 100.0 CHI 7 7 A 7 DG O4' A 7 DG C1' A 7 DG N9 A 7 DG C4 1.0 170.0 310.0 CHI 8 8 A 8 DG O4' A 8 DG C1' A 8 DG N9 A 8 DG C4 1.0 170.0 310.0 CHI 9 9 A 9 DA O4' A 9 DA C1' A 9 DA N9 A 9 DA C4 1.0 170.0 310.0 CHI 10 10 A 10 DC O4' A 10 DC C1' A 10 DC N1 A 10 DC C2 1.0 170.0 310.0 CHI 11 11 A 11 DA O4' A 11 DA C1' A 11 DA N9 A 11 DA C4 1.0 170.0 310.0 CHI 12 12 A 12 DC O4' A 12 DC C1' A 12 DC N1 A 12 DC C2 1.0 170.0 310.0 CHI 13 13 A 13 DA O4' A 13 DA C1' A 13 DA N9 A 13 DA C4 1.0 170.0 310.0 CHI 14 14 A 14 DG O4' A 14 DG C1' A 14 DG N9 A 14 DG C4 1.0 0.0 110.0 CHI 15 15 A 15 DG O4' A 15 DG C1' A 15 DG N9 A 15 DG C4 1.0 0.0 110.0 CHI 16 16 A 16 DG O4' A 16 DG C1' A 16 DG N9 A 16 DG C4 1.0 170.0 310.0 CHI 17 17 A 17 DG O4' A 17 DG C1' A 17 DG N9 A 17 DG C4 1.0 170.0 310.0 CHI 18 18 A 18 DA O4' A 18 DA C1' A 18 DA N9 A 18 DA C4 1.0 170.0 310.0 CHI 19 19 A 19 DC O4' A 19 DC C1' A 19 DC N1 A 19 DC C2 1.0 170.0 310.0 CHI 20 20 A 20 DG O4' A 20 DG C1' A 20 DG N9 A 20 DG C4 1.0 0.0 110.0 CHI 21 21 A 21 DG O4' A 21 DG C1' A 21 DG N9 A 21 DG C4 1.0 170.0 310.0 CHI 22 22 A 22 DG O4' A 22 DG C1' A 22 DG N9 A 22 DG C4 1.0 170.0 310.0 CHI 23 23 A 22 DG O4' A 22 DG C1' A 22 DG N9 A 22 DG C4 1.0 170.0 310.0 CHI 24 24 A 1 DG C4' A 1 DG C3' A 1 DG O3' A 2 DG P 1.0 150.0 300.0 EPSILON 25 25 A 2 DG C4' A 2 DG C3' A 2 DG O3' A 3 DG P 1.0 150.0 300.0 EPSILON 26 26 A 3 DG C4' A 3 DG C3' A 3 DG O3' A 4 DA P 1.0 150.0 300.0 EPSILON 27 27 A 4 DA C4' A 4 DA C3' A 4 DA O3' A 5 DT P 1.0 150.0 300.0 EPSILON 28 28 A 5 DT C4' A 5 DT C3' A 5 DT O3' A 6 DG P 1.0 150.0 300.0 EPSILON 29 29 A 6 DG C4' A 6 DG C3' A 6 DG O3' A 7 DG P 1.0 150.0 300.0 EPSILON 30 30 A 7 DG C4' A 7 DG C3' A 7 DG O3' A 8 DG P 1.0 150.0 300.0 EPSILON 31 31 A 8 DG C4' A 8 DG C3' A 8 DG O3' A 9 DA P 1.0 150.0 300.0 EPSILON 32 32 A 9 DA C4' A 9 DA C3' A 9 DA O3' A 10 DC P 1.0 150.0 300.0 EPSILON 33 33 A 10 DC C4' A 10 DC C3' A 10 DC O3' A 11 DA P 1.0 150.0 300.0 EPSILON 34 34 A 11 DA C4' A 11 DA C3' A 11 DA O3' A 12 DC P 1.0 150.0 300.0 EPSILON 35 35 A 12 DC C4' A 12 DC C3' A 12 DC O3' A 13 DA P 1.0 150.0 300.0 EPSILON 36 36 A 13 DA C4' A 13 DA C3' A 13 DA O3' A 14 DG P 1.0 150.0 300.0 EPSILON 37 37 A 14 DG C4' A 14 DG C3' A 14 DG O3' A 15 DG P 1.0 150.0 300.0 EPSILON 38 38 A 15 DG C4' A 15 DG C3' A 15 DG O3' A 16 DG P 1.0 150.0 300.0 EPSILON 39 39 A 16 DG C4' A 16 DG C3' A 16 DG O3' A 17 DG P 1.0 150.0 300.0 EPSILON 40 40 A 17 DG C4' A 17 DG C3' A 17 DG O3' A 18 DA P 1.0 150.0 300.0 EPSILON 41 41 A 18 DA C4' A 18 DA C3' A 18 DA O3' A 19 DC P 1.0 150.0 300.0 EPSILON 42 42 A 19 DC C4' A 19 DC C3' A 19 DC O3' A 20 DG P 1.0 150.0 300.0 EPSILON 43 43 A 20 DG C4' A 20 DG C3' A 20 DG O3' A 21 DG P 1.0 150.0 300.0 EPSILON 44 44 A 21 DG C4' A 21 DG C3' A 21 DG O3' A 22 DG P 1.0 150.0 300.0 EPSILON 45 45 A 21 DG C4' A 21 DG C3' A 21 DG O3' A 22 DG P 1.0 150.0 300.0 EPSILON 46 46 A 1 DG C1' A 1 DG C2' A 1 DG C3' A 1 DG C4' 1.0 -40.0 -30.0 NU2 47 47 A 2 DG C1' A 2 DG C2' A 2 DG C3' A 2 DG C4' 1.0 -40.0 -30.0 NU2 48 48 A 3 DG C1' A 3 DG C2' A 3 DG C3' A 3 DG C4' 1.0 -40.0 -30.0 NU2 49 49 A 4 DA C1' A 4 DA C2' A 4 DA C3' A 4 DA C4' 1.0 -40.0 -30.0 NU2 50 50 A 5 DT C1' A 5 DT C2' A 5 DT C3' A 5 DT C4' 1.0 -40.0 -30.0 NU2 51 51 A 6 DG C1' A 6 DG C2' A 6 DG C3' A 6 DG C4' 1.0 -40.0 -30.0 NU2 52 52 A 7 DG C1' A 7 DG C2' A 7 DG C3' A 7 DG C4' 1.0 -40.0 -30.0 NU2 53 53 A 8 DG C1' A 8 DG C2' A 8 DG C3' A 8 DG C4' 1.0 -40.0 -30.0 NU2 54 54 A 9 DA C1' A 9 DA C2' A 9 DA C3' A 9 DA C4' 1.0 -40.0 -30.0 NU2 55 55 A 10 DC C1' A 10 DC C2' A 10 DC C3' A 10 DC C4' 1.0 -40.0 -30.0 NU2 56 56 A 11 DA C1' A 11 DA C2' A 11 DA C3' A 11 DA C4' 1.0 -40.0 -30.0 NU2 57 57 A 12 DC C1' A 12 DC C2' A 12 DC C3' A 12 DC C4' 1.0 -40.0 -30.0 NU2 58 58 A 13 DA C1' A 13 DA C2' A 13 DA C3' A 13 DA C4' 1.0 -40.0 -30.0 NU2 59 59 A 14 DG C1' A 14 DG C2' A 14 DG C3' A 14 DG C4' 1.0 -40.0 -30.0 NU2 60 60 A 15 DG C1' A 15 DG C2' A 15 DG C3' A 15 DG C4' 1.0 -40.0 -30.0 NU2 61 61 A 16 DG C1' A 16 DG C2' A 16 DG C3' A 16 DG C4' 1.0 -40.0 -30.0 NU2 62 62 A 17 DG C1' A 17 DG C2' A 17 DG C3' A 17 DG C4' 1.0 -40.0 -30.0 NU2 63 63 A 18 DA C1' A 18 DA C2' A 18 DA C3' A 18 DA C4' 1.0 -40.0 -30.0 NU2 64 64 A 19 DC C1' A 19 DC C2' A 19 DC C3' A 19 DC C4' 1.0 -40.0 -30.0 NU2 65 65 A 20 DG C1' A 20 DG C2' A 20 DG C3' A 20 DG C4' 1.0 -40.0 -30.0 NU2 66 66 A 21 DG C1' A 21 DG C2' A 21 DG C3' A 21 DG C4' 1.0 -40.0 -30.0 NU2 67 67 A 22 DG C1' A 22 DG C2' A 22 DG C3' A 22 DG C4' 1.0 -40.0 -30.0 NU2 68 68 A 22 DG C1' A 22 DG C2' A 22 DG C3' A 22 DG C4' 1.0 -40.0 -30.0 NU2 stop_ save_