data_nef_c30255_5uzi 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 loop_ _nef_related_entries.database_name _nef_related_entries.database_accession_code BMRB 30254 BMRB 30255 PDB 5UZI stop_ save_ save_assembly _nef_molecular_system.sf_category nef_molecular_system _nef_molecular_system.sf_framecode assembly loop_ _nef_covalent_links.chain_code_1 _nef_covalent_links.sequence_code_1 _nef_covalent_links.residue_name_1 _nef_covalent_links.atom_name_1 _nef_covalent_links.chain_code_2 _nef_covalent_links.sequence_code_2 _nef_covalent_links.residue_name_2 _nef_covalent_links.atom_name_2 2 3 DC O3' 2 4 MA7 P 2 4 MA7 O3' 2 5 DA P stop_ loop_ _nef_sequence.index _nef_sequence.chain_code _nef_sequence.sequence_code _nef_sequence.residue_name _nef_sequence.linking _nef_sequence.residue_variant _nef_sequence.cis_peptide 1 A 1 DC start . . 2 A 2 DG middle . . 3 A 3 DA middle . . 4 A 4 DT middle . . 5 A 5 DT middle . . 6 A 6 DT middle . . 7 A 7 DT middle . . 8 A 8 DT middle . . 9 A 9 DT middle . . 10 A 10 DG middle . . 11 A 11 DG middle . . 12 A 12 DC end . . 13 B 13 DG start . . 14 B 14 DC middle . . 15 B 15 DC middle -HO3' . 16 B 16 MA7 middle -OP3,-HO3' . 17 B 17 DA middle -OP3 . 18 B 18 DA middle . . 19 B 19 DA middle . . 20 B 20 DA middle . . 21 B 21 DA middle . . 22 B 22 DT middle . . 23 B 23 DC middle . . 24 B 24 DG end . . stop_ save_ save_assigned_chemical_shifts_1 _nef_chemical_shift_list.sf_category nef_chemical_shift_list _nef_chemical_shift_list.sf_framecode assigned_chemical_shifts_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 DC H1' H 1 5.66 . A 1 DC H2' H 1 2.32 . A 1 DC H2'' H 1 1.79 . A 1 DC H4' H 1 4.01 . A 1 DC H5 H 1 5.85 . A 1 DC H6 H 1 7.56 . A 1 DC C1' C 13 87.9 . A 1 DC C2' C 13 39.9 . A 1 DC C4' C 13 88.3 . A 1 DC C5 C 13 99.8 . A 1 DC C6 C 13 143.1 . A 2 DG H1 H 1 12.81 . A 2 DG H1' H 1 5.49 . A 2 DG H2' H 1 2.78 . A 2 DG H2'' H 1 2.68 . A 2 DG H4' H 1 4.29 . A 2 DG H8 H 1 7.92 . A 2 DG C1' C 13 84 . A 2 DG C2' C 13 40 . A 2 DG C4' C 13 87.4 . A 2 DG C8 C 13 138.2 . A 2 DG N1 N 15 147.3 . A 2 DG P P 31 -0.39 . A 3 DA H1' H 1 6.3 . A 3 DA H2 H 1 7.83 . A 3 DA H2' H 1 2.96 . A 3 DA H2'' H 1 2.67 . A 3 DA H4' H 1 4.48 . A 3 DA H8 H 1 8.24 . A 3 DA C1' C 13 85 . A 3 DA C2 C 13 155 . A 3 DA C2' C 13 41.3 . A 3 DA C4' C 13 87.8 . A 3 DA C8 C 13 141.5 . A 3 DA P P 31 -0.45 . A 4 DT H1' H 1 5.94 . A 4 DT H2' H 1 2.59 . A 4 DT H2'' H 1 2.04 . A 4 DT H3 H 1 13.76 . A 4 DT H4' H 1 4.21 . A 4 DT H6 H 1 7.15 . A 4 DT H7% H 1 1.33 . A 4 DT C1' C 13 84.8 . A 4 DT C2' C 13 39.1 . A 4 DT C4' C 13 85.4 . A 4 DT C6 C 13 138.4 . A 4 DT C7 C 13 14 . A 4 DT N3 N 15 159.2 . A 4 DT P P 31 -0.85 . A 5 DT H1' H 1 6.16 . A 5 DT H2' H 1 2.64 . A 5 DT H2'' H 1 2.23 . A 5 DT H3 H 1 14.04 . A 5 DT H4' H 1 4.23 . A 5 DT H6 H 1 7.42 . A 5 DT H7% H 1 1.51 . A 5 DT C1' C 13 85.3 . A 5 DT C2' C 13 39 . A 5 DT C4' C 13 85.9 . A 5 DT C6 C 13 140.2 . A 5 DT C7 C 13 14.4 . A 5 DT N3 N 15 159.8 . A 5 DT P P 31 -0.77 . A 6 DT H1' H 1 6.16 . A 6 DT H2' H 1 2.65 . A 6 DT H2'' H 1 2.23 . A 6 DT H3 H 1 13.95 . A 6 DT H4' H 1 4.21 . A 6 DT H6 H 1 7.43 . A 6 DT H7% H 1 1.58 . A 6 DT C1' C 13 85.2 . A 6 DT C2' C 13 39 . A 6 DT C4' C 13 86 . A 6 DT C6 C 13 140.3 . A 6 DT C7 C 13 14.4 . A 6 DT N3 N 15 159.8 . A 6 DT P P 31 -0.84 . A 7 DT H1' H 1 6.11 . A 7 DT H2' H 1 2.65 . A 7 DT H2'' H 1 2.18 . A 7 DT H3 H 1 13.68 . A 7 DT H4' H 1 4.22 . A 7 DT H6 H 1 7.44 . A 7 DT H7% H 1 1.57 . A 7 DT C1' C 13 85.1 . A 7 DT C2' C 13 39 . A 7 DT C4' C 13 86 . A 7 DT C6 C 13 140.2 . A 7 DT C7 C 13 14.4 . A 7 DT N3 N 15 159.3 . A 7 DT P P 31 -0.7 . A 8 DT H1' H 1 6.07 . A 8 DT H2' H 1 2.57 . A 8 DT H2'' H 1 2.16 . A 8 DT H3 H 1 13.7 . A 8 DT H4' H 1 4.21 . A 8 DT H6 H 1 7.45 . A 8 DT H7% H 1 1.63 . A 8 DT C1' C 13 85.1 . A 8 DT C2' C 13 38.9 . A 8 DT C4' C 13 86.1 . A 8 DT C6 C 13 140.4 . A 8 DT C7 C 13 14.5 . A 8 DT N3 N 15 159.1 . A 8 DT P P 31 -0.67 . A 9 DT H1' H 1 5.74 . A 9 DT H2' H 1 2.15 . A 9 DT H2'' H 1 1.57 . A 9 DT H3 H 1 11.77 . A 9 DT H4' H 1 3.98 . A 9 DT H6 H 1 7.15 . A 9 DT H7% H 1 1.66 . A 9 DT C1' C 13 85.1 . A 9 DT C2' C 13 39.4 . A 9 DT C4' C 13 84.8 . A 9 DT C6 C 13 140 . A 9 DT C7 C 13 14.7 . A 9 DT N3 N 15 156.4 . A 9 DT P P 31 -0.8 . A 10 DG H1 H 1 12.89 . A 10 DG H1' H 1 5.54 . A 10 DG H2' H 1 2.72 . A 10 DG H4' H 1 4.32 . A 10 DG H8 H 1 7.91 . A 10 DG C1' C 13 84.3 . A 10 DG C2' C 13 39.4 . A 10 DG C4' C 13 87.5 . A 10 DG C8 C 13 138.8 . A 10 DG N1 N 15 147.2 . A 10 DG P P 31 -0.65 . A 11 DG H1 H 1 13.02 . A 11 DG H1' H 1 5.94 . A 11 DG H2' H 1 2.67 . A 11 DG H2'' H 1 2.49 . A 11 DG H4' H 1 4.33 . A 11 DG H8 H 1 7.7 . A 11 DG C1' C 13 85 . A 11 DG C2' C 13 41.2 . A 11 DG C4' C 13 86.9 . A 11 DG C8 C 13 137.5 . A 11 DG N1 N 15 147.2 . A 11 DG P P 31 -0.37 . A 12 DC H1' H 1 6.14 . A 12 DC H2' H 1 2.14 . A 12 DC H4' H 1 3.99 . A 12 DC H5 H 1 5.39 . A 12 DC H6 H 1 7.41 . A 12 DC C1' C 13 86.5 . A 12 DC C2' C 13 41.6 . A 12 DC C4' C 13 86.6 . A 12 DC C5 C 13 98.4 . A 12 DC C6 C 13 143.2 . A 12 DC P P 31 -0.41 . B 13 DG H1' H 1 5.97 . B 13 DG H2' H 1 2.74 . B 13 DG H2'' H 1 2.64 . B 13 DG H4' H 1 4.21 . B 13 DG H8 H 1 7.95 . B 13 DG C1' C 13 85.5 . B 13 DG C2' C 13 40.5 . B 13 DG C4' C 13 89 . B 13 DG C8 C 13 138.8 . B 14 DC H1' H 1 5.98 . B 14 DC H2' H 1 2.4 . B 14 DC H2'' H 1 2.11 . B 14 DC H4' H 1 4.22 . B 14 DC H5 H 1 5.35 . B 14 DC H6 H 1 7.46 . B 14 DC C1' C 13 86.7 . B 14 DC C2' C 13 40 . B 14 DC C4' C 13 86.1 . B 14 DC C5 C 13 98.7 . B 14 DC C6 C 13 142.8 . B 14 DC P P 31 -0.66 . B 15 DC H1' H 1 5.78 . B 15 DC H2' H 1 2.39 . B 15 DC H2'' H 1 1.72 . B 15 DC H4' H 1 4.12 . B 15 DC H5 H 1 5.54 . B 15 DC H6 H 1 7.35 . B 15 DC C1' C 13 86 . B 15 DC C2' C 13 39.3 . B 15 DC C4' C 13 86.2 . B 15 DC C5 C 13 98.2 . B 15 DC C6 C 13 143.4 . B 15 DC P P 31 -0.55 . B 16 MA7 H1' H 1 5.58 . B 16 MA7 H2 H 1 8.42 . B 16 MA7 H2' H 1 2.25 . B 16 MA7 H2'' H 1 2.02 . B 16 MA7 H4' H 1 4.02 . B 16 MA7 H8 H 1 7.48 . B 16 MA7 C1' C 13 88.1 . B 16 MA7 C2 C 13 149.8 . B 16 MA7 C2' C 13 39.1 . B 16 MA7 C4' C 13 86.4 . B 16 MA7 C8 C 13 147.1 . B 17 DA H1' H 1 5.54 . B 17 DA H2 H 1 7.11 . B 17 DA H2' H 1 2.76 . B 17 DA H4' H 1 4.34 . B 17 DA H8 H 1 8.19 . B 17 DA C1' C 13 84.6 . B 17 DA C2 C 13 154.1 . B 17 DA C2' C 13 41.1 . B 17 DA C4' C 13 87.2 . B 17 DA C8 C 13 141.9 . B 18 DA H1' H 1 5.72 . B 18 DA H2 H 1 6.89 . B 18 DA H2' H 1 2.76 . B 18 DA H2'' H 1 2.48 . B 18 DA H4' H 1 4.34 . B 18 DA H8 H 1 7.98 . B 18 DA C1' C 13 84.4 . B 18 DA C2 C 13 153.6 . B 18 DA C2' C 13 41.2 . B 18 DA C4' C 13 87.2 . B 18 DA C8 C 13 140.9 . B 18 DA P P 31 -0.64 . B 19 DA H1' H 1 5.8 . B 19 DA H2 H 1 6.88 . B 19 DA H2' H 1 2.85 . B 19 DA H2'' H 1 2.45 . B 19 DA H4' H 1 4.37 . B 19 DA H8 H 1 7.92 . B 19 DA C1' C 13 84.3 . B 19 DA C2 C 13 153.4 . B 19 DA C2' C 13 41.6 . B 19 DA C4' C 13 87.1 . B 19 DA C8 C 13 140.9 . B 19 DA P P 31 -0.72 . B 20 DA H1' H 1 5.87 . B 20 DA H2 H 1 6.96 . B 20 DA H2' H 1 2.88 . B 20 DA H2'' H 1 2.48 . B 20 DA H4' H 1 4.41 . B 20 DA H8 H 1 7.88 . B 20 DA C1' C 13 84.1 . B 20 DA C2 C 13 153.3 . B 20 DA C2' C 13 41.9 . B 20 DA C4' C 13 86.9 . B 20 DA C8 C 13 140.8 . B 20 DA P P 31 -0.76 . B 21 DA H1' H 1 6.05 . B 21 DA H2 H 1 7.6 . B 21 DA H2' H 1 2.86 . B 21 DA H2'' H 1 2.42 . B 21 DA H4' H 1 4.42 . B 21 DA H8 H 1 7.94 . B 21 DA C1' C 13 84.7 . B 21 DA C2 C 13 154.5 . B 21 DA C2' C 13 41.9 . B 21 DA C4' C 13 86.8 . B 21 DA C8 C 13 141 . B 21 DA P P 31 -0.68 . B 22 DT H1' H 1 5.88 . B 22 DT H2' H 1 2.41 . B 22 DT H2'' H 1 1.92 . B 22 DT H3 H 1 13.61 . B 22 DT H4' H 1 4.17 . B 22 DT H6 H 1 7.02 . B 22 DT H7% H 1 1.16 . B 22 DT C1' C 13 84.9 . B 22 DT C2' C 13 39.5 . B 22 DT C4' C 13 85.1 . B 22 DT C6 C 13 138.5 . B 22 DT C7 C 13 13.9 . B 22 DT N3 N 15 159.3 . B 22 DT P P 31 -0.76 . B 23 DC H1' H 1 5.7 . B 23 DC H2' H 1 2.35 . B 23 DC H2'' H 1 1.96 . B 23 DC H4' H 1 4.1 . B 23 DC H5 H 1 5.57 . B 23 DC H6 H 1 7.41 . B 23 DC C1' C 13 86.4 . B 23 DC C2' C 13 39.5 . B 23 DC C4' C 13 85.5 . B 23 DC C5 C 13 98.8 . B 23 DC C6 C 13 143.8 . B 23 DC P P 31 -0.57 . B 24 DG H1' H 1 6.14 . B 24 DG H2' H 1 2.59 . B 24 DG H2'' H 1 2.34 . B 24 DG H4' H 1 4.16 . B 24 DG H8 H 1 7.91 . B 24 DG C1' C 13 84.7 . B 24 DG C2' C 13 41.9 . B 24 DG C4' C 13 88.1 . B 24 DG C8 C 13 139.3 . B 24 DG P P 31 -0.21 . stop_ save_ save_CNS/XPLOR_distance_constraints_2 _nef_distance_restraint_list.sf_category nef_distance_restraint_list _nef_distance_restraint_list.sf_framecode CNS/XPLOR_distance_constraints_2 _nef_distance_restraint_list.restraint_origin noe _nef_distance_restraint_list.potential_type square-well-parabolic loop_ _nef_distance_restraint.index _nef_distance_restraint.restraint_id _nef_distance_restraint.chain_code_1 _nef_distance_restraint.sequence_code_1 _nef_distance_restraint.residue_name_1 _nef_distance_restraint.atom_name_1 _nef_distance_restraint.chain_code_2 _nef_distance_restraint.sequence_code_2 _nef_distance_restraint.residue_name_2 _nef_distance_restraint.atom_name_2 _nef_distance_restraint.weight _nef_distance_restraint.lower_limit _nef_distance_restraint.upper_limit 1 1 A 1 DC H1' A 1 DC H6 1.0 2.81 3.81 2 2 A 1 DC H1' A 2 DG H8 1.0 3.79 5.13 3 3 A 1 DC H1' A 1 DC H2'' 1.0 2.43 3.29 4 4 A 1 DC H6 A 1 DC H2'' 1.0 2.69 4.03 5 5 A 2 DG H8 A 1 DC H2'' 1.0 2.34 3.16 6 6 A 1 DC H1' A 1 DC H2' 1.0 2.55 3.45 7 7 A 1 DC H2' A 1 DC H5 1.0 3.68 4.98 8 8 A 1 DC H6 A 1 DC H2' 1.0 2.11 2.85 9 9 A 2 DG H8 A 1 DC H2' 1.0 2.48 3.36 10 10 A 1 DC H1' A 1 DC H4' 1.0 2.71 3.67 11 11 A 1 DC H6 A 1 DC H5 1.0 2.01 2.71 12 12 A 1 DC H6 A 2 DG H8 1.0 3.26 4.88 13 13 A 2 DG H8 A 2 DG H1' 1.0 3.13 4.23 14 14 A 2 DG H1' A 3 DA H8 1.0 2.58 3.50 15 15 A 2 DG H1' A 2 DG H2'' 1.0 2.25 3.05 16 16 A 2 DG H8 A 2 DG H2'' 1.0 2.06 3.76 17 17 A 3 DA H8 A 2 DG H2'' 1.0 2.19 2.97 18 18 A 2 DG H1' A 2 DG H2' 1.0 2.98 4.02 19 19 A 2 DG H8 A 2 DG H2' 1.0 1.84 2.48 20 20 A 3 DA H8 A 2 DG H2' 1.0 1.68 2.80 21 21 A 2 DG H1' A 2 DG H4' 1.0 3.42 4.62 22 22 A 2 DG H8 A 3 DA H8 1.0 3.26 4.40 23 23 A 3 DA H8 A 3 DA H1' 1.0 2.99 4.05 24 24 A 3 DA H1' A 4 DT H6 1.0 2.62 3.58 25 25 A 3 DA H1' A 3 DA H2'' 1.0 2.12 2.88 26 26 A 3 DA H8 A 3 DA H2'' 1.0 2.07 3.87 27 27 A 4 DT H6 A 3 DA H2'' 1.0 2.11 2.85 28 28 A 3 DA H1' A 3 DA H2' 1.0 2.56 3.46 29 29 A 3 DA H8 A 3 DA H2' 1.0 1.90 2.58 30 30 A 4 DT H6 A 3 DA H2' 1.0 2.59 3.51 31 31 A 3 DA H1' A 3 DA H4' 1.0 2.87 3.89 32 32 A 4 DT H6 A 4 DT H1' 1.0 3.14 4.24 33 33 A 4 DT H1' A 5 DT H6 1.0 2.63 3.95 34 34 A 4 DT H1' A 4 DT H2'' 1.0 2.10 2.84 35 35 A 4 DT H6 A 4 DT H2'' 1.0 1.90 3.60 36 36 A 5 DT H6 A 4 DT H2'' 1.0 2.02 2.74 37 37 A 4 DT H1' A 4 DT H2' 1.0 2.64 3.56 38 38 A 4 DT H6 A 4 DT H2' 1.0 1.95 2.63 39 39 A 5 DT H6 A 4 DT H2' 1.0 2.48 3.36 40 40 A 4 DT H1' A 4 DT H4' 1.0 2.42 3.28 41 41 A 3 DA H1' A 4 DT H7% 1.0 4.08 5.52 42 42 A 3 DA H2'' A 4 DT H7% 1.0 3.34 4.52 43 43 A 3 DA H2' A 4 DT H7% 1.0 3.11 4.47 44 44 A 3 DA H8 A 4 DT H7% 1.0 2.94 3.98 45 45 A 4 DT H2' A 4 DT H7% 1.0 4.02 5.44 46 46 A 4 DT H6 A 4 DT H7% 1.0 2.49 3.58 47 47 A 3 DA H8 A 4 DT H6 1.0 3.01 5.01 48 48 A 4 DT H6 A 5 DT H6 1.0 3.21 4.81 49 49 A 5 DT H6 A 5 DT H1' 1.0 2.14 3.56 50 50 A 5 DT H1' A 5 DT H2'' 1.0 1.95 2.65 51 51 A 5 DT H6 A 5 DT H2'' 1.0 1.76 3.28 52 52 A 5 DT H1' A 5 DT H2' 1.0 2.25 3.05 53 53 A 5 DT H6 A 5 DT H2' 1.0 1.76 2.38 54 54 A 4 DT H1' A 5 DT H7% 1.0 4.22 5.72 55 55 A 4 DT H2'' A 5 DT H7% 1.0 3.19 4.31 56 56 A 4 DT H2' A 5 DT H7% 1.0 2.79 4.13 57 57 A 4 DT H6 A 5 DT H7% 1.0 2.92 3.96 58 58 A 5 DT H2' A 5 DT H7% 1.0 3.77 5.11 59 59 A 5 DT H6 A 5 DT H7% 1.0 2.47 3.53 60 60 A 6 DT H2'' A 6 DT H1' 1.0 1.90 2.56 61 61 A 6 DT H1' A 6 DT H2' 1.0 2.25 3.05 62 62 A 5 DT H1' A 6 DT H7% 1.0 3.56 4.82 63 63 A 5 DT H2'' A 6 DT H7% 1.0 2.91 3.93 64 64 A 5 DT H2' A 6 DT H7% 1.0 2.74 3.70 65 65 A 6 DT H7% A 6 DT H6 1.0 2.50 3.60 66 66 A 7 DT H1' A 7 DT H6 1.0 2.81 3.81 67 67 A 7 DT H1' A 8 DT H6 1.0 2.77 3.75 68 68 A 7 DT H1' A 7 DT H2'' 1.0 2.08 2.82 69 69 A 7 DT H6 A 7 DT H2'' 1.0 1.57 3.27 70 70 A 7 DT H1' A 7 DT H2' 1.0 2.56 3.46 71 71 A 7 DT H1' A 7 DT H4' 1.0 2.74 3.70 72 72 A 6 DT H1' A 7 DT H7% 1.0 3.55 4.81 73 73 A 6 DT H2'' A 7 DT H7% 1.0 2.87 3.89 74 74 A 6 DT H2' A 7 DT H7% 1.0 2.72 3.68 75 75 A 7 DT H2' A 7 DT H7% 1.0 2.61 3.53 76 76 A 7 DT H6 A 7 DT H7% 1.0 2.51 3.60 77 77 A 8 DT H6 A 8 DT H1' 1.0 2.95 3.99 78 78 A 8 DT H1' A 9 DT H6 1.0 2.77 4.15 79 79 A 8 DT H1' A 8 DT H2'' 1.0 2.15 2.91 80 80 A 8 DT H6 A 8 DT H2'' 1.0 2.02 3.36 81 81 A 9 DT H6 A 8 DT H2'' 1.0 2.07 2.81 82 82 A 8 DT H1' A 8 DT H2' 1.0 2.57 3.47 83 83 A 8 DT H6 A 8 DT H2' 1.0 1.84 2.48 84 84 A 9 DT H6 A 8 DT H2' 1.0 2.41 3.27 85 85 A 8 DT H1' A 8 DT H4' 1.0 2.66 3.60 86 86 A 7 DT H1' A 8 DT H7% 1.0 4.14 5.60 87 87 A 7 DT H2'' A 8 DT H7% 1.0 3.18 4.30 88 88 A 7 DT H2' A 8 DT H7% 1.0 3.04 4.10 89 89 A 8 DT H6 A 8 DT H7% 1.0 2.44 3.51 90 90 A 9 DT H6 A 9 DT H1' 1.0 3.17 4.29 91 91 A 9 DT H1' A 10 DG H8 1.0 2.77 4.15 92 92 A 9 DT H1' A 9 DT H2'' 1.0 2.16 2.92 93 93 A 9 DT H6 A 9 DT H2'' 1.0 2.24 3.44 94 94 A 10 DG H8 A 9 DT H2'' 1.0 2.62 3.54 95 95 A 9 DT H1' A 9 DT H2' 1.0 2.74 3.70 96 96 A 9 DT H6 A 9 DT H2' 1.0 2.09 2.83 97 97 A 10 DG H8 A 9 DT H2' 1.0 2.62 3.54 98 98 A 9 DT H1' A 9 DT H4' 1.0 1.98 3.66 99 99 A 8 DT H1' A 9 DT H7% 1.0 4.32 5.84 100 100 A 8 DT H2'' A 9 DT H7% 1.0 3.41 4.61 101 101 A 8 DT H2' A 9 DT H7% 1.0 3.14 4.24 102 102 A 9 DT H6 A 9 DT H7% 1.0 2.49 3.58 103 103 A 8 DT H6 A 9 DT H6 1.0 3.27 4.43 104 104 A 9 DT H6 A 10 DG H8 1.0 2.64 4.90 105 105 A 10 DG H8 A 10 DG H1' 1.0 3.04 4.10 106 106 A 10 DG H1' A 11 DG H8 1.0 2.34 3.50 107 107 A 10 DG H1' A 10 DG H2' 1.0 2.17 2.93 108 108 A 10 DG H8 A 10 DG H2' 1.0 1.81 2.45 109 109 A 11 DG H8 A 10 DG H2' 1.0 2.02 3.36 110 110 A 10 DG H1' A 10 DG H4' 1.0 2.93 3.97 111 111 A 11 DG H8 A 11 DG H1' 1.0 3.09 4.17 112 112 A 11 DG H1' A 12 DC H6 1.0 2.83 3.83 113 113 A 11 DG H1' A 11 DG H2'' 1.0 1.70 3.18 114 114 A 11 DG H8 A 11 DG H2'' 1.0 2.29 4.25 115 115 A 11 DG H2'' A 12 DC H5 1.0 3.30 4.46 116 116 A 12 DC H6 A 11 DG H2'' 1.0 2.19 2.97 117 117 A 11 DG H1' A 11 DG H2' 1.0 2.45 3.31 118 118 A 11 DG H8 A 11 DG H2' 1.0 1.72 2.86 119 119 A 12 DC H5 A 11 DG H2' 1.0 3.25 4.39 120 120 A 12 DC H6 A 11 DG H2' 1.0 2.59 3.51 121 121 A 11 DG H1' A 11 DG H4' 1.0 2.83 3.83 122 122 A 10 DG H8 A 11 DG H8 1.0 2.12 4.04 123 123 A 12 DC H6 A 12 DC H1' 1.0 2.75 3.71 124 124 A 12 DC H1' A 12 DC H2' 1.0 2.05 2.77 125 125 A 12 DC H5 A 12 DC H2' 1.0 3.62 4.90 126 126 A 12 DC H6 A 12 DC H2' 1.0 1.98 2.68 127 127 A 11 DG H8 A 12 DC H5 1.0 2.92 3.94 128 128 A 12 DC H6 A 12 DC H5 1.0 2.10 2.84 129 129 A 11 DG H8 A 12 DC H6 1.0 2.48 4.60 130 130 B 13 DG H1' B 13 DG H8 1.0 2.86 3.86 131 131 B 13 DG H1' B 14 DC H6 1.0 2.51 3.77 132 132 B 13 DG H1' B 13 DG H2'' 1.0 2.38 3.22 133 133 B 13 DG H2'' B 14 DC H5 1.0 3.01 4.07 134 134 B 14 DC H6 B 13 DG H2'' 1.0 2.40 3.24 135 135 B 13 DG H1' B 13 DG H2' 1.0 2.64 3.58 136 136 B 13 DG H8 B 13 DG H2' 1.0 1.60 2.98 137 137 B 14 DC H5 B 13 DG H2' 1.0 3.43 4.65 138 138 B 14 DC H6 B 13 DG H2' 1.0 1.97 2.95 139 139 B 13 DG H1' B 13 DG H4' 1.0 2.67 3.61 140 140 B 14 DC H6 B 14 DC H1' 1.0 2.73 3.69 141 141 B 14 DC H1' B 15 DC H6 1.0 3.11 4.21 142 142 B 14 DC H1' B 14 DC H2'' 1.0 2.17 2.93 143 143 B 14 DC H6 B 14 DC H2'' 1.0 2.32 3.88 144 144 B 14 DC H2'' B 15 DC H5 1.0 2.80 3.78 145 145 B 15 DC H6 B 14 DC H2'' 1.0 2.15 2.91 146 146 B 14 DC H1' B 14 DC H2' 1.0 2.81 3.79 147 147 B 14 DC H5 B 14 DC H2' 1.0 3.77 5.11 148 148 B 14 DC H6 B 14 DC H2' 1.0 1.88 2.54 149 149 B 15 DC H5 B 14 DC H2' 1.0 2.97 4.01 150 150 B 15 DC H6 B 14 DC H2' 1.0 2.58 3.48 151 151 B 14 DC H1' B 14 DC H4' 1.0 2.67 3.61 152 152 B 13 DG H8 B 14 DC H5 1.0 3.05 4.13 153 153 B 14 DC H6 B 14 DC H5 1.0 2.10 2.84 154 154 B 13 DG H8 B 14 DC H6 1.0 3.65 4.93 155 155 B 15 DC H6 B 15 DC H1' 1.0 3.37 4.55 156 156 B 15 DC H1' B 16 MA7 H2 1.0 4.17 5.65 157 157 B 15 DC H1' B 15 DC H2'' 1.0 2.14 2.90 158 158 B 15 DC H6 B 15 DC H2'' 1.0 2.11 3.53 159 159 B 16 MA7 H2 B 15 DC H2'' 1.0 2.51 3.39 160 160 B 15 DC H1' B 15 DC H2' 1.0 2.69 3.63 161 161 B 15 DC H5 B 15 DC H2' 1.0 3.32 4.48 162 162 B 15 DC H6 B 15 DC H2' 1.0 1.92 2.60 163 163 B 16 MA7 H2 B 15 DC H2' 1.0 2.58 3.50 164 164 B 15 DC H1' B 15 DC H4' 1.0 2.88 3.90 165 165 B 15 DC H6 B 15 DC H5 1.0 2.15 2.91 166 166 B 15 DC H5 B 16 MA7 H2 1.0 4.81 6.51 167 167 B 15 DC H6 B 16 MA7 H2 1.0 3.15 4.27 168 168 B 16 MA7 H1' B 16 MA7 H8 1.0 2.10 2.84 169 169 B 16 MA7 H1' B 17 DA H8 1.0 5.11 6.91 170 170 B 16 MA7 H1' B 16 MA7 H2' 1.0 2.60 4.84 171 171 B 16 MA7 H1' B 16 MA7 H2' 1.0 2.57 3.47 172 172 B 16 MA7 H1' B 16 MA7 H4' 1.0 2.63 3.55 173 173 B 17 DA H8 B 17 DA H1' 1.0 3.56 4.82 174 174 B 17 DA H1' B 18 DA H8 1.0 2.79 3.77 175 175 B 16 MA7 H8 B 17 DA H2 1.0 3.60 4.88 176 176 B 17 DA H1' B 17 DA H2' 1.0 2.37 3.21 177 177 B 17 DA H8 B 17 DA H2' 1.0 2.34 3.36 178 178 B 18 DA H8 B 17 DA H2' 1.0 2.41 3.27 179 179 B 18 DA H8 B 18 DA H1' 1.0 4.08 5.52 180 180 B 18 DA H1' B 19 DA H8 1.0 2.76 3.74 181 181 B 17 DA H2 B 18 DA H2 1.0 2.80 3.80 182 182 B 18 DA H1' B 18 DA H2'' 1.0 2.46 3.52 183 183 B 18 DA H1' B 18 DA H2' 1.0 3.16 4.28 184 184 B 18 DA H8 B 18 DA H2' 1.0 2.19 2.97 185 185 B 19 DA H8 B 18 DA H2' 1.0 2.20 2.98 186 186 B 17 DA H8 B 18 DA H8 1.0 2.81 4.21 187 187 B 19 DA H8 B 19 DA H1' 1.0 3.16 4.28 188 188 B 19 DA H1' B 20 DA H8 1.0 2.88 3.90 189 189 B 19 DA H1' B 19 DA H2'' 1.0 2.18 2.94 190 190 B 19 DA H8 B 19 DA H2'' 1.0 1.83 3.81 191 191 B 20 DA H8 B 19 DA H2'' 1.0 2.18 2.96 192 192 B 19 DA H1' B 19 DA H2' 1.0 2.65 3.59 193 193 B 19 DA H8 B 19 DA H2' 1.0 2.03 2.75 194 194 B 20 DA H8 B 19 DA H2' 1.0 2.35 3.17 195 195 B 19 DA H1' B 19 DA H4' 1.0 2.60 3.52 196 196 B 20 DA H8 B 20 DA H1' 1.0 3.45 4.67 197 197 B 20 DA H1' B 21 DA H8 1.0 2.66 3.60 198 198 B 20 DA H2 B 19 DA H2 1.0 1.77 3.73 199 199 B 20 DA H2 B 21 DA H2 1.0 2.85 3.85 200 200 B 20 DA H1' B 20 DA H2'' 1.0 2.14 2.90 201 201 B 20 DA H8 B 20 DA H2'' 1.0 2.12 3.96 202 202 B 21 DA H8 B 20 DA H2'' 1.0 1.98 2.68 203 203 B 20 DA H1' B 20 DA H2' 1.0 2.67 3.61 204 204 B 20 DA H8 B 20 DA H2' 1.0 2.06 2.78 205 205 B 21 DA H8 B 20 DA H2' 1.0 2.09 3.13 206 206 B 20 DA H1' B 20 DA H4' 1.0 2.75 3.73 207 207 B 21 DA H8 B 21 DA H1' 1.0 2.99 4.05 208 208 B 21 DA H1' B 22 DT H6 1.0 2.75 3.71 209 209 B 21 DA H2 A 3 DA H2 1.0 2.46 4.61 210 210 B 21 DA H1' B 21 DA H2'' 1.0 2.13 2.89 211 211 B 21 DA H8 B 21 DA H2'' 1.0 1.78 3.70 212 212 B 22 DT H6 B 21 DA H2'' 1.0 2.08 2.82 213 213 B 21 DA H1' B 21 DA H2' 1.0 2.51 3.39 214 214 B 21 DA H8 B 21 DA H2' 1.0 2.00 2.70 215 215 B 22 DT H6 B 21 DA H2' 1.0 2.34 3.30 216 216 B 21 DA H1' B 21 DA H4' 1.0 2.86 3.88 217 217 B 22 DT H6 B 22 DT H1' 1.0 3.19 4.31 218 218 B 22 DT H1' B 23 DC H6 1.0 3.67 4.97 219 219 B 22 DT H1' B 22 DT H2'' 1.0 2.07 2.79 220 220 B 22 DT H6 B 22 DT H2'' 1.0 2.33 3.89 221 221 B 22 DT H2'' B 23 DC H5 1.0 2.98 4.04 222 222 B 23 DC H6 B 22 DT H2'' 1.0 2.24 3.02 223 223 B 22 DT H1' B 22 DT H2' 1.0 2.62 3.54 224 224 B 22 DT H6 B 22 DT H2' 1.0 1.92 2.60 225 225 B 23 DC H5 B 22 DT H2' 1.0 2.82 3.82 226 226 B 23 DC H6 B 22 DT H2' 1.0 2.52 3.40 227 227 B 22 DT H1' B 22 DT H4' 1.0 2.66 3.60 228 228 B 21 DA H1' B 22 DT H7% 1.0 4.05 5.47 229 229 B 21 DA H2'' B 22 DT H7% 1.0 3.41 4.61 230 230 B 21 DA H2' B 22 DT H7% 1.0 3.07 4.42 231 231 B 21 DA H8 B 22 DT H7% 1.0 2.98 4.02 232 232 B 22 DT H1' B 22 DT H7% 1.0 4.65 6.29 233 233 B 22 DT H2' B 22 DT H7% 1.0 4.14 5.60 234 234 B 22 DT H6 B 22 DT H7% 1.0 2.48 3.72 235 235 B 23 DC H5 B 22 DT H7% 1.0 4.00 5.42 236 236 B 21 DA H8 B 22 DT H6 1.0 3.54 4.80 237 237 B 22 DT H6 B 23 DC H6 1.0 2.96 4.94 238 238 B 23 DC H6 B 23 DC H1' 1.0 3.39 4.59 239 239 B 23 DC H1' B 24 DG H8 1.0 2.87 3.89 240 240 B 23 DC H1' B 23 DC H2'' 1.0 2.10 2.84 241 241 B 23 DC H6 B 23 DC H2'' 1.0 2.44 3.66 242 242 B 24 DG H8 B 23 DC H2'' 1.0 2.19 2.97 243 243 B 23 DC H1' B 23 DC H2' 1.0 2.64 3.86 244 244 B 23 DC H5 B 23 DC H2' 1.0 3.09 4.17 245 245 B 23 DC H6 B 23 DC H2' 1.0 1.56 2.92 246 246 B 24 DG H8 B 23 DC H2' 1.0 2.62 3.54 247 247 B 23 DC H1' B 23 DC H4' 1.0 2.64 3.58 248 248 B 22 DT H6 B 23 DC H5 1.0 3.13 4.23 249 249 B 23 DC H6 B 23 DC H5 1.0 2.00 2.70 250 250 B 23 DC H6 B 24 DG H8 1.0 2.95 4.91 251 251 B 24 DG H8 B 24 DG H1' 1.0 2.80 3.78 252 252 B 24 DG H1' B 24 DG H2'' 1.0 2.55 3.45 253 253 B 24 DG H1' B 24 DG H2' 1.0 2.15 2.91 254 254 B 24 DG H8 B 24 DG H2' 1.0 2.17 2.93 stop_ save_ save_CNS/XPLOR_dipolar_coupling_3 _nef_rdc_restraint_list.sf_category nef_rdc_restraint_list _nef_rdc_restraint_list.sf_framecode CNS/XPLOR_dipolar_coupling_3 _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 3 DA C1' A 3 DA H1' 1.0 22.4 28.4 . 2 2 A 4 DT C1' A 4 DT H1' 1.0 19.0 25.0 . 3 3 A 5 DT C1' A 5 DT H1' 1.0 28.0 34.0 . 4 4 A 6 DT C1' A 6 DT H1' 1.0 30.2 36.2 . 5 5 A 7 DT C1' A 7 DT H1' 1.0 28.8 34.8 . 6 6 A 8 DT C1' A 8 DT H1' 1.0 25.1 31.1 . 7 7 A 9 DT C1' A 9 DT H1' 1.0 22.5 28.5 . 8 8 A 10 DG C1' A 10 DG H1' 1.0 15.7 21.7 . 9 9 A 11 DG C1' A 11 DG H1' 1.0 19.0 25.0 . 10 10 B 15 DC C1' B 15 DC H1' 1.0 12.7 18.7 . 11 11 B 17 DA C1' B 17 DA H1' 1.0 19.9 25.9 . 12 12 B 18 DA C1' B 18 DA H1' 1.0 26.3 32.3 . 13 13 B 19 DA C1' B 19 DA H1' 1.0 30.2 36.2 . 14 14 B 20 DA C1' B 20 DA H1' 1.0 21.1 27.1 . 15 15 B 21 DA C1' B 21 DA H1' 1.0 22.9 28.9 . 16 16 B 22 DT C1' B 22 DT H1' 1.0 28.0 34.0 . 17 17 A 2 DG C4' A 2 DG H4' 1.0 -5.4 0.6 . 18 18 A 3 DA C4' A 3 DA H4' 1.0 -17.4 -11.4 . 19 19 A 4 DT C4' A 4 DT H4' 1.0 -8.8 -2.8 . 20 20 A 5 DT C4' A 5 DT H4' 1.0 10.6 16.6 . 21 21 A 6 DT C4' A 6 DT H4' 1.0 5.0 11.0 . 22 22 A 7 DT C4' A 7 DT H4' 1.0 9.8 15.8 . 23 23 A 8 DT C4' A 8 DT H4' 1.0 3.4 9.4 . 24 24 A 9 DT C4' A 9 DT H4' 1.0 27.1 33.1 . 25 25 A 10 DG C4' A 10 DG H4' 1.0 25.8 31.8 . 26 26 A 11 DG C4' A 11 DG H4' 1.0 22.2 28.2 . 27 27 B 15 DC C4' B 15 DC H4' 1.0 -21.1 -15.1 . 28 28 B 17 DA C4' B 17 DA H4' 1.0 -3.8 2.2 . 29 29 B 18 DA C4' B 18 DA H4' 1.0 5.0 11.0 . 30 30 B 19 DA C4' B 19 DA H4' 1.0 0.8 6.8 . 31 31 B 20 DA C4' B 20 DA H4' 1.0 6.6 12.6 . 32 32 B 21 DA C4' B 21 DA H4' 1.0 14.2 20.2 . 33 33 B 22 DT C4' B 22 DT H4' 1.0 25.8 31.8 . 34 34 B 23 DC C4' B 23 DC H4' 1.0 26.1 32.1 . 35 35 A 2 DG C8 A 2 DG H8 1.0 22.9 28.9 . 36 36 A 3 DA C8 A 3 DA H8 1.0 28.3 34.3 . 37 37 A 4 DT C6 A 4 DT H6 1.0 35.7 41.7 . 38 38 A 5 DT C6 A 5 DT H6 1.0 31.9 37.9 . 39 39 A 6 DT C6 A 6 DT H6 1.0 28.9 34.9 . 40 40 A 7 DT C6 A 7 DT H6 1.0 29.6 35.6 . 41 41 A 9 DT C6 A 9 DT H6 1.0 34.4 40.4 . 42 42 A 10 DG C8 A 10 DG H8 1.0 26.5 32.5 . 43 43 B 15 DC C6 B 15 DC H6 1.0 23.0 29.0 . 44 44 B 16 MA7 C8 B 16 MA7 H8 1.0 11.6 17.6 . 45 45 B 18 DA C8 B 18 DA H8 1.0 28.9 34.9 . 46 46 B 19 DA C8 B 19 DA H8 1.0 28.7 34.7 . 47 47 B 20 DA C8 B 20 DA H8 1.0 30.9 36.9 . 48 48 B 21 DA C8 B 21 DA H8 1.0 32.6 38.6 . 49 49 B 22 DT C6 B 22 DT H6 1.0 32.6 38.6 . 50 50 B 23 DC C6 B 23 DC H6 1.0 26.7 32.7 . 51 51 B 14 DC C5 B 14 DC H5 1.0 21.7 27.7 . 52 52 B 15 DC C5 B 15 DC H5 1.0 17.0 23.0 . 53 53 B 23 DC C5 B 23 DC H5 1.0 32.9 38.9 . 54 54 A 3 DA C2 A 3 DA H2 1.0 23.3 29.3 . 55 55 B 16 MA7 C2 B 16 MA7 H2 1.0 19.0 25.0 . 56 56 B 18 DA C2 B 18 DA H2 1.0 31.3 37.3 . 57 57 B 19 DA C2 B 19 DA H2 1.0 28.2 34.2 . 58 58 B 20 DA C2 B 20 DA H2 1.0 29.3 35.3 . 59 59 B 21 DA C2 B 21 DA H2 1.0 36.5 42.5 . stop_ save_ save_spectral_peak_list_1 _nef_nmr_spectrum.sf_category nef_nmr_spectrum _nef_nmr_spectrum.sf_framecode spectral_peak_list_1 _nef_nmr_spectrum.num_dimensions 2 loop_ _nef_spectrum_dimension.dimension_id _nef_spectrum_dimension.axis_unit _nef_spectrum_dimension.axis_code _nef_spectrum_dimension.spectral_width _nef_spectrum_dimension.folding 1 ppm 1H 22 . 2 ppm 1H 22 . stop_ save_