data_nef_c18593_2lvy 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_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 1 3 C O3' 1 4 UPV 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 C start . . 2 A 2 G middle . . 3 A 3 C middle . . 4 A 4 UPV middle . . 5 A 5 A middle . . 6 A 6 C middle . . 7 A 7 G middle . . 8 A 8 C middle . . 9 A 9 DT end . . 10 B 1 G start . . 11 B 2 C middle . . 12 B 3 G middle . . 13 B 4 U middle . . 14 B 5 A middle . . 15 B 6 G middle . . 16 B 7 C middle . . 17 B 8 G middle . . 18 B 9 DT 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 C H1' H 1 5.554 0 A 1 C H2' H 1 4.534 0 A 1 C H3' H 1 4.494 0 A 1 C H4' H 1 4.277 0 A 1 C H41 H 1 8.217 0 A 1 C H42 H 1 6.912 0 A 1 C H5 H 1 5.942 0 A 1 C H5' H 1 3.859 0 A 1 C H5'' H 1 3.989 0 A 1 C H6 H 1 8.009 0 A 2 G H1 H 1 12.916 0 A 2 G H1' H 1 5.696 0 A 2 G H2' H 1 4.527 0 A 2 G H21 H 1 5.935 0 A 2 G H22 H 1 8.268 0 A 2 G H3' H 1 4.578 0 A 2 G H4' H 1 4.415 0 A 2 G H5' H 1 4.087 0 A 2 G H5'' H 1 4.429 0 A 2 G H8 H 1 7.714 0 A 3 C H1' H 1 5.428 0 A 3 C H2' H 1 4.273 0 A 3 C H3' H 1 4.351 0 A 3 C H4' H 1 4.472 0 A 3 C H41 H 1 8.481 0 A 3 C H42 H 1 6.823 0 A 3 C H5 H 1 5.192 0 A 3 C H5' H 1 4.015 0 A 3 C H5'' H 1 4.474 0 A 3 C H6 H 1 7.625 0 A 4 UPV H1' H 1 5.632 0 A 4 UPV H2' H 1 4.523 0 A 4 UPV H3' H 1 4.589 0 A 4 UPV H4' H 1 4.26 0 A 4 UPV H5 H 1 5.353 0 A 4 UPV H5' H 1 3.997 0 A 4 UPV H5'A H 1 4.465 0 A 4 UPV H6 H 1 7.791 0 A 4 UPV HA H 1 5.424 0 A 4 UPV HAA H 1 5.655 0 A 4 UPV HD1 H 1 1.206 0 A 4 UPV HN3 H 1 13.124 0 A 5 A H1' H 1 5.88 0 A 5 A H2 H 1 6.839 0 A 5 A H2' H 1 4.32 0 A 5 A H3' H 1 4.473 0 A 5 A H4' H 1 4.524 0 A 5 A H5' H 1 4.123 0 A 5 A H5'' H 1 4.355 0 A 5 A H61 H 1 6.307 0 A 5 A H62 H 1 7.79 0 A 5 A H8 H 1 8.009 0 A 6 C H1' H 1 5.252 0 A 6 C H2' H 1 4.199 0 A 6 C H3' H 1 4.326 0 A 6 C H4' H 1 4.247 0 A 6 C H41 H 1 8.14 0 A 6 C H42 H 1 6.73 0 A 6 C H5 H 1 5.054 0 A 6 C H5' H 1 3.935 0 A 6 C H5'' H 1 4.385 0 A 6 C H6 H 1 7.396 0 A 7 G H1 H 1 12.887 0 A 7 G H1' H 1 5.572 0 A 7 G H2' H 1 4.377 0 A 7 G H21 H 1 5.935 0 A 7 G H22 H 1 8.298 0 A 7 G H3' H 1 4.383 0 A 7 G H4' H 1 4.3 0 A 7 G H5' H 1 3.941 0 A 7 G H5'' H 1 3.936 0 A 7 G H8 H 1 7.388 0 A 8 C H1' H 1 5.411 0 A 8 C H2' H 1 4.24 0 A 8 C H3' H 1 4.136 0 A 8 C H4' H 1 4.25 0 A 8 C H41 H 1 6.9 0 A 8 C H42 H 1 8.305 0 A 8 C H5 H 1 5.018 0 A 8 C H5' H 1 3.89 0 A 8 C H5'' H 1 4.356 0 A 8 C H6 H 1 7.318 0 A 9 DT H1' H 1 5.877 0 A 9 DT H2' H 1 1.901 0 A 9 DT H2'' H 1 2.123 0 A 9 DT H3' H 1 4.267 0 A 9 DT H4' H 1 3.837 0 A 9 DT H5' H 1 3.886 0 A 9 DT H5'' H 1 4.146 0 A 9 DT H6 H 1 7.483 0 A 9 DT H7% H 1 1.486 0 B 1 G H1 H 1 13.16 0 B 1 G H1' H 1 5.728 0 B 1 G H2' H 1 4.718 0 B 1 G H3' H 1 4.458 0 B 1 G H4' H 1 4.31 0 B 1 G H5' H 1 3.991 0 B 1 G H5'' H 1 3.832 0 B 1 G H8 H 1 7.989 0 B 2 C H1' H 1 5.548 0 B 2 C H2' H 1 4.613 0 B 2 C H3' H 1 4.481 0 B 2 C H4' H 1 4.382 0 B 2 C H41 H 1 8.472 0 B 2 C H42 H 1 6.624 0 B 2 C H5 H 1 5.202 0 B 2 C H5' H 1 4.472 0 B 2 C H5'' H 1 4.079 0 B 2 C H6 H 1 7.708 0 B 3 G H1 H 1 12.825 0 B 3 G H1' H 1 5.657 0 B 3 G H2' H 1 4.408 0 B 3 G H21 H 1 5.76 0 B 3 G H22 H 1 7.955 0 B 3 G H3' H 1 4.405 0 B 3 G H4' H 1 4.474 0 B 3 G H5' H 1 4.389 0 B 3 G H5'' H 1 4.038 0 B 3 G H8 H 1 7.464 0 B 4 U H1' H 1 5.393 0 B 4 U H2' H 1 4.374 0 B 4 U H3 H 1 13.479 0 B 4 U H3' H 1 4.504 0 B 4 U H4' H 1 4.336 0 B 4 U H5 H 1 5.066 0 B 4 U H5' H 1 4.338 0 B 4 U H5'' H 1 4.01 0 B 4 U H6 H 1 7.666 0 B 5 A H1' H 1 5.884 0 B 5 A H2 H 1 6.764 0 B 5 A H2' H 1 4.48 0 B 5 A H3' H 1 4.646 0 B 5 A H4' H 1 4.404 0 B 5 A H5' H 1 4.414 0 B 5 A H5'' H 1 4.062 0 B 5 A H61 H 1 7.636 0 B 5 A H62 H 1 6.242 0 B 5 A H8 H 1 7.966 0 B 6 G H1 H 1 13.335 0 B 6 G H1' H 1 5.407 0 B 6 G H2' H 1 4.268 0 B 6 G H21 H 1 5.505 0 B 6 G H22 H 1 8.304 0 B 6 G H3' H 1 4.337 0 B 6 G H4' H 1 4.315 0 B 6 G H5' H 1 4.371 0 B 6 G H5'' H 1 3.969 0 B 6 G H8 H 1 7.21 0 B 7 C H1' H 1 5.308 0 B 7 C H2' H 1 4.322 0 B 7 C H3' H 1 4.274 0 B 7 C H4' H 1 4.252 0 B 7 C H41 H 1 8.238 0 B 7 C H42 H 1 6.628 0 B 7 C H5 H 1 5.062 0 B 7 C H5' H 1 3.903 0 B 7 C H5'' H 1 3.918 0 B 7 C H6 H 1 7.312 0 B 8 G H1' H 1 5.675 0 B 8 G H2' H 1 4.208 0 B 8 G H3' H 1 4.32 0 B 8 G H4' H 1 4.283 0 B 8 G H5' H 1 3.905 0 B 8 G H5'' H 1 3.914 0 B 8 G H8 H 1 7.362 0 B 18 DT H1' H 1 5.966 0 B 18 DT H2' H 1 1.952 0 B 18 DT H2'' H 1 2.122 0 B 18 DT H3' H 1 4.286 0 B 18 DT H4' H 1 3.903 0 B 18 DT H5' H 1 4.165 0 B 18 DT H5'' H 1 3.89 0 B 18 DT H6 H 1 7.357 0 B 18 DT H7% H 1 1.296 0 stop_ save_ save_CNS/XPLOR_distance_constraints_3 _nef_distance_restraint_list.sf_category nef_distance_restraint_list _nef_distance_restraint_list.sf_framecode CNS/XPLOR_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 2 G H8 A 1 C H1' 1.0 2.90 4.50 2 2 A 3 C H6 A 2 G H1' 1.0 3.10 4.90 3 3 A 6 C H6 A 5 A H1' 1.0 3.20 4.80 4 4 A 8 C H6 A 7 G H1' 1.0 3.20 5.00 5 5 A 9 DT H6 A 8 C H1' 1.0 3.10 4.90 6 6 B 2 C H6 B 1 G H1' 1.0 3.10 4.70 7 7 B 3 G H8 B 2 C H1' 1.0 2.90 4.50 8 8 B 4 U H6 B 3 G H1' 1.0 3.20 5.00 9 9 B 5 A H8 B 4 U H1' 1.0 2.90 4.50 10 10 B 6 G H8 B 5 A H1' 1.0 2.80 4.40 11 11 B 8 G H8 B 7 C H1' 1.0 3.10 4.70 12 12 A 2 G H8 A 1 C H2' 1.0 1.40 2.90 13 13 A 3 C H6 A 2 G H2' 1.0 1.50 3.20 14 14 A 6 C H6 A 5 A H2' 1.0 1.50 3.00 15 15 A 7 G H8 A 6 C H2' 1.0 1.40 2.90 16 16 A 8 C H6 A 7 G H2' 1.0 1.60 3.10 17 17 A 9 DT H6 A 8 C H2' 1.0 1.60 3.10 18 18 B 2 C H6 B 1 G H2' 1.0 1.50 3.20 19 19 B 3 G H8 B 2 C H2' 1.0 1.50 3.00 20 20 B 4 U H6 B 3 G H2' 1.0 1.50 3.00 21 21 B 5 A H8 B 4 U H2' 1.0 1.50 3.00 22 22 B 7 C H6 B 6 G H2' 1.0 1.60 3.10 23 23 B 6 G H8 B 5 A H2' 1.0 1.50 3.00 24 24 B 8 G H8 B 7 C H2' 1.0 1.30 2.80 25 25 B 9 DT H6 B 8 G H2' 1.0 1.60 3.10 26 26 A 3 C H6 A 2 G H3' 1.0 2.90 4.30 27 27 A 6 C H6 A 5 A H3' 1.0 2.60 3.80 28 28 B 3 G H8 B 2 C H3' 1.0 2.60 4.00 29 29 B 5 A H8 B 4 U H3' 1.0 2.70 4.10 30 30 B 6 G H8 B 5 A H3' 1.0 2.70 4.10 31 31 A 7 G H1' A 6 C H2' 1.0 3.20 4.80 32 32 B 3 G H1' B 2 C H2' 1.0 3.00 4.40 33 33 B 4 U H1' B 3 G H2' 1.0 2.90 4.30 34 34 B 5 A H1' B 4 U H2' 1.0 2.90 4.50 35 35 B 5 A H2' B 6 G H1' 1.0 2.80 4.20 36 36 A 2 G H2' A 3 C H5 1.0 2.90 4.30 37 37 A 5 A H2' A 6 C H5 1.0 2.60 4.00 38 38 A 7 G H2' A 8 C H5 1.0 2.70 4.10 39 39 B 6 G H2' B 7 C H5 1.0 2.90 4.30 40 40 A 2 G H3' A 3 C H5 1.0 3.40 5.00 41 41 A 5 A H3' A 6 C H5 1.0 2.90 4.30 42 42 B 5 A H8 B 6 G H8 1.0 3.50 5.30 43 43 B 4 U H6 B 5 A H8 1.0 3.50 5.30 44 44 A 2 G H8 A 1 C H6 1.0 3.40 5.20 45 45 A 5 A H8 A 6 C H6 1.0 3.80 5.60 46 46 B 2 C H6 B 1 G H8 1.0 3.50 5.50 47 47 A 5 A H8 A 6 C H5 1.0 3.50 5.30 48 48 B 1 G H8 B 2 C H5 1.0 3.60 5.40 49 49 B 6 G H8 B 7 C H5 1.0 3.60 5.40 50 50 B 3 G H8 B 4 U H5 1.0 3.40 5.00 51 51 A 5 A H2 A 6 C H1' 1.0 2.90 4.30 52 52 B 6 G H1' B 5 A H2 1.0 2.60 4.00 53 53 A 1 C H1' A 1 C H6 1.0 2.80 4.20 54 54 A 2 G H8 A 2 G H1' 1.0 2.80 4.20 55 55 A 3 C H6 A 3 C H1' 1.0 3.00 4.60 56 56 A 5 A H8 A 5 A H1' 1.0 2.80 4.20 57 57 A 7 G H1' A 7 G H8 1.0 2.90 4.50 58 58 B 1 G H1' B 1 G H8 1.0 2.70 4.10 59 59 B 3 G H8 B 3 G H1' 1.0 2.80 4.40 60 60 B 4 U H6 B 4 U H1' 1.0 3.10 4.70 61 61 B 5 A H8 B 5 A H1' 1.0 2.80 4.40 62 62 B 6 G H8 B 6 G H1' 1.0 2.90 4.50 63 63 B 7 C H1' B 7 C H6 1.0 3.00 4.60 64 64 B 8 G H8 B 8 G H1' 1.0 2.60 4.00 65 65 A 3 C H6 A 3 C H2' 1.0 3.30 4.90 66 66 A 5 A H8 A 5 A H2' 1.0 3.00 4.60 67 67 A 8 C H6 A 8 C H2' 1.0 2.70 4.10 68 68 B 1 G H2' B 1 G H8 1.0 2.60 3.80 69 69 B 2 C H6 B 2 C H2' 1.0 2.90 4.30 70 70 B 4 U H6 B 4 U H2' 1.0 3.00 4.40 71 71 B 5 A H8 B 5 A H2' 1.0 2.60 4.00 72 72 B 6 G H8 B 6 G H2' 1.0 3.00 4.60 73 73 B 7 C H6 B 7 C H2' 1.0 2.40 3.60 74 74 A 1 C H6 A 1 C H3' 1.0 2.50 3.90 75 75 A 2 G H8 A 2 G H3' 1.0 2.60 3.80 76 76 A 3 C H6 A 3 C H3' 1.0 2.40 3.60 77 77 A 5 A H8 A 5 A H3' 1.0 2.20 3.40 78 78 A 7 G H8 A 7 G H3' 1.0 2.20 3.40 79 79 A 8 C H6 A 8 C H3' 1.0 2.50 3.70 80 80 B 1 G H8 B 1 G H3' 1.0 2.70 3.90 81 81 B 4 U H6 B 4 U H3' 1.0 2.50 3.70 82 82 B 5 A H8 B 5 A H3' 1.0 2.50 3.70 83 83 B 6 G H8 B 6 G H3' 1.0 2.60 3.80 84 84 A 1 C H6 A 1 C H5 1.0 1.30 2.80 85 85 A 3 C H6 A 3 C H5 1.0 1.80 3.40 86 86 A 6 C H6 A 6 C H5 1.0 1.70 3.20 87 87 A 8 C H6 A 8 C H5 1.0 1.60 3.10 88 88 B 2 C H6 B 2 C H5 1.0 1.60 3.60 89 89 B 4 U H6 B 4 U H5 1.0 1.70 3.70 90 90 B 7 C H6 B 7 C H5 1.0 1.70 3.70 91 91 A 1 C H6 A 1 C H4' 1.0 3.10 4.70 92 92 B 1 G H8 B 1 G H4' 1.0 3.20 4.60 93 93 A 1 C H1' A 1 C H2' 1.0 2.20 3.40 94 94 A 2 G H1' A 2 G H2' 1.0 2.20 3.20 95 95 A 3 C H1' A 3 C H2' 1.0 2.40 3.40 96 96 A 5 A H1' A 5 A H2' 1.0 2.10 3.10 97 97 A 6 C H2' A 6 C H1' 1.0 2.20 3.40 98 98 A 7 G H1' A 7 G H2' 1.0 2.10 3.30 99 99 A 8 C H1' A 8 C H2' 1.0 2.10 3.10 100 100 B 2 C H1' B 2 C H2' 1.0 2.20 3.20 101 101 B 4 U H1' B 4 U H2' 1.0 2.20 3.20 102 102 B 6 G H2' B 6 G H1' 1.0 2.20 3.20 103 103 B 7 C H1' B 7 C H2' 1.0 2.20 3.20 104 104 B 8 G H2' B 8 G H1' 1.0 2.10 3.30 105 105 A 2 G H1' A 2 G H3' 1.0 3.00 4.40 106 106 A 3 C H1' A 3 C H3' 1.0 2.40 3.60 107 107 A 6 C H1' A 6 C H3' 1.0 2.80 4.20 108 108 A 8 C H1' A 8 C H3' 1.0 2.90 4.30 109 109 B 1 G H1' B 1 G H3' 1.0 2.90 4.30 110 110 B 4 U H1' B 4 U H3' 1.0 3.00 4.40 111 111 B 5 A H1' B 5 A H3' 1.0 3.20 4.60 112 112 B 7 C H1' B 7 C H3' 1.0 2.80 4.00 113 113 B 8 G H1' B 8 G H3' 1.0 2.60 3.80 114 114 A 1 C H1' A 1 C H4' 1.0 2.70 4.10 115 115 A 2 G H1' A 2 G H4' 1.0 2.90 4.50 116 116 A 3 C H1' A 3 C H4' 1.0 2.50 3.90 117 117 A 5 A H1' A 5 A H4' 1.0 2.80 4.20 118 118 A 6 C H1' A 6 C H4' 1.0 2.80 4.40 119 119 A 7 G H1' A 7 G H4' 1.0 2.90 4.30 120 120 B 1 G H1' B 1 G H4' 1.0 2.90 4.10 121 121 B 2 C H1' B 2 C H4' 1.0 2.60 3.80 122 122 B 3 G H1' B 3 G H4' 1.0 2.60 4.00 123 123 B 5 A H1' B 5 A H4' 1.0 2.90 4.10 124 124 B 6 G H1' B 6 G H4' 1.0 2.70 3.90 125 125 B 7 C H1' B 7 C H4' 1.0 2.80 4.20 126 126 B 8 G H1' B 8 G H4' 1.0 2.80 4.00 127 127 A 5 A H1' A 5 A H2 1.0 2.80 4.40 128 128 B 5 A H1' B 5 A H2 1.0 2.60 4.00 129 129 A 1 C H6 A 1 C H5'' 1.0 2.80 4.20 130 130 A 3 C H6 A 3 C H5'' 1.0 3.20 4.80 131 131 A 5 A H8 A 5 A H5'' 1.0 2.70 4.10 132 132 B 1 G H8 B 1 G H5'' 1.0 2.70 3.90 133 133 B 3 G H8 B 3 G H5'' 1.0 2.80 4.20 134 133 B 3 G H8 B 3 G H5' 1.0 2.80 4.20 135 134 B 4 U H6 B 4 U H5'' 1.0 3.40 5.00 136 134 B 4 U H6 B 4 U H5' 1.0 3.40 5.00 137 135 B 5 A H8 B 5 A H5'' 1.0 2.80 4.20 138 136 B 6 G H8 B 6 G H5'' 1.0 3.00 4.40 139 136 B 6 G H8 B 6 G H5' 1.0 3.00 4.40 140 137 A 1 C H6 A 1 C H5' 1.0 2.80 4.20 141 138 A 3 C H6 A 3 C H5' 1.0 3.10 4.70 142 139 A 5 A H8 A 5 A H5' 1.0 2.90 4.30 143 140 B 1 G H8 B 1 G H5' 1.0 2.60 3.80 144 141 B 5 A H8 B 5 A H5' 1.0 3.20 4.60 145 142 A 1 C H1' A 1 C H5'' 1.0 3.50 5.30 146 143 A 1 C H1' A 1 C H5' 1.0 3.70 5.50 147 144 A 2 G H1' A 2 G H5'' 1.0 3.80 5.80 148 144 A 2 G H1' A 2 G H5' 1.0 3.80 5.80 149 145 A 3 C H1' A 3 C H5'' 1.0 4.00 5.80 150 145 A 3 C H1' A 3 C H5' 1.0 4.00 5.80 151 146 A 6 C H1' A 6 C H5'' 1.0 3.80 5.80 152 146 A 6 C H1' A 6 C H5' 1.0 3.80 5.80 153 147 A 6 C H1' A 6 C H5'' 1.0 3.50 5.30 154 147 A 6 C H1' A 6 C H5' 1.0 3.50 5.30 155 148 A 7 G H1' A 7 G H5'' 1.0 3.80 5.60 156 148 A 7 G H1' A 7 G H5' 1.0 3.80 5.60 157 149 A 8 C H1' A 8 C H5'' 1.0 3.60 5.80 158 149 A 8 C H1' A 8 C H5' 1.0 3.60 5.80 159 150 B 1 G H1' B 1 G H5'' 1.0 3.80 5.80 160 151 B 1 G H1' B 1 G H5' 1.0 3.90 5.90 161 152 B 2 C H1' B 2 C H5'' 1.0 3.80 5.80 162 152 B 2 C H1' B 2 C H5' 1.0 3.80 5.80 163 153 B 3 G H1' B 3 G H5'' 1.0 3.80 5.80 164 153 B 3 G H1' B 3 G H5' 1.0 3.80 5.80 165 154 B 4 U H1' B 4 U H5'' 1.0 4.10 6.10 166 154 B 4 U H1' B 4 U H5' 1.0 4.10 6.10 167 155 B 5 A H1' B 5 A H5'' 1.0 3.90 5.90 168 155 B 5 A H1' B 5 A H5' 1.0 3.90 5.90 169 156 B 6 G H1' B 6 G H5'' 1.0 4.00 5.80 170 156 B 6 G H1' B 6 G H5' 1.0 4.00 5.80 171 157 B 7 C H1' B 7 C H5'' 1.0 3.50 5.50 172 157 B 7 C H1' B 7 C H5' 1.0 3.50 5.50 173 158 B 8 G H1' B 8 G H5'' 1.0 3.50 5.50 174 158 B 8 G H1' B 8 G H5' 1.0 3.50 5.50 175 159 A 3 C H3' A 3 C H5 1.0 3.40 5.00 176 160 A 8 C H5 A 8 C H3' 1.0 3.50 5.30 177 161 A 2 G H1 B 6 G H1 1.0 1.00 5.00 178 162 A 7 G H1 B 1 G H1 1.0 1.00 6.00 179 163 B 3 G H1 B 4 U H3 1.0 1.00 5.00 180 164 A 5 A H2 B 3 G H1 1.0 1.00 6.00 181 165 A 5 A H2 B 4 U H3 1.0 1.00 4.00 182 166 B 5 A H2 B 4 U H3 1.0 1.00 6.00 183 167 B 5 A H2 B 6 G H1 1.0 1.00 6.00 184 168 A 6 C H5 B 3 G H1 1.0 1.00 6.00 185 169 B 4 U H1' B 3 G H1 1.0 1.00 6.00 186 170 A 7 G H1' B 3 G H1 1.0 1.00 5.00 187 171 B 2 C H5 A 7 G H1 1.0 1.00 6.00 188 172 A 8 C H1' A 7 G H1 1.0 1.00 6.00 189 173 B 3 G H1' A 7 G H1 1.0 1.00 5.00 190 174 B 7 C H5 A 2 G H1 1.0 1.00 6.00 191 175 A 3 C H1' A 2 G H1 1.0 1.00 6.00 192 176 B 8 G H1' A 2 G H1 1.0 1.00 5.00 193 177 A 8 C H5 B 1 G H1 1.0 1.00 6.00 194 178 B 2 C H1' B 1 G H1 1.0 1.00 6.00 195 179 A 3 C H5 B 6 G H1 1.0 1.00 6.00 196 180 B 7 C H1' B 6 G H1 1.0 1.00 6.00 197 181 B 7 C H1' A 2 G H1 1.0 1.00 6.00 198 182 A 3 C H5 A 2 G H1 1.0 1.00 6.00 199 183 B 2 C H1' A 7 G H1 1.0 1.00 6.00 200 184 A 8 C H5 A 7 G H1 1.0 1.00 6.00 201 185 A 6 C H1' B 3 G H1 1.0 1.00 6.00 202 186 A 6 C H1' B 4 U H3 1.0 1.00 6.00 203 187 B 5 A H1' B 4 U H3 1.0 1.00 6.00 204 188 B 4 U H1' B 4 U H3 1.0 1.00 6.00 205 189 B 7 C H5 B 6 G H1 1.0 1.00 6.00 206 190 A 5 A N1 B 4 U N3 1.0 2.22 3.42 207 191 A 5 A N6 B 4 U O4 1.0 2.35 3.55 208 192 B 8 G N1 A 1 C N3 1.0 2.35 3.55 209 193 B 8 G O6 A 1 C N4 1.0 2.31 3.51 210 194 B 8 G N2 A 1 C O2 1.0 2.26 3.46 211 195 A 2 G N1 B 7 C N3 1.0 2.35 3.55 212 196 A 2 G O6 B 7 C N4 1.0 2.31 3.51 213 197 A 2 G N2 B 7 C O2 1.0 2.26 3.46 214 198 B 6 G N1 A 3 C N3 1.0 2.35 3.55 215 199 B 6 G O6 A 3 C N4 1.0 2.31 3.51 216 200 B 6 G N2 A 3 C O2 1.0 2.26 3.46 217 201 B 3 G N1 A 6 C N3 1.0 2.35 3.55 218 202 A 2 G O6 B 7 C N4 1.0 2.31 3.51 219 203 B 3 G N2 A 6 C O2 1.0 2.26 3.46 220 204 A 7 G N1 B 2 C N3 1.0 2.35 3.55 221 205 A 7 G O6 B 2 C N4 1.0 2.31 3.51 222 206 A 7 G N2 B 2 C O2 1.0 2.26 3.46 223 207 B 1 G N1 A 8 C N3 1.0 2.35 3.55 224 208 B 1 G O6 A 8 C N4 1.0 2.31 3.51 225 209 B 1 G N2 A 8 C O2 1.0 2.26 3.46 stop_ save_ save_CNS/XPLOR_dihedral_2 _nef_dihedral_restraint_list.sf_category nef_dihedral_restraint_list _nef_dihedral_restraint_list.sf_framecode CNS/XPLOR_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 C O4' A 1 C C1' A 1 C N1 A 1 C C2 1.0 142.0 262.0 CHI 2 2 A 2 G O4' A 2 G C1' A 2 G N9 A 2 G C4 1.0 142.0 262.0 CHI 3 3 A 3 C O4' A 3 C C1' A 3 C N1 A 3 C C2 1.0 142.0 262.0 CHI 4 4 A 5 A O4' A 5 A C1' A 5 A N9 A 5 A C4 1.0 142.0 262.0 CHI 5 5 A 6 C O4' A 6 C C1' A 6 C N1 A 6 C C2 1.0 142.0 262.0 CHI 6 6 A 7 G O4' A 7 G C1' A 7 G N9 A 7 G C4 1.0 142.0 262.0 CHI 7 7 A 8 C O4' A 8 C C1' A 8 C N1 A 8 C C2 1.0 142.0 262.0 CHI 8 8 B 1 G O4' B 1 G C1' B 1 G N9 B 1 G C4 1.0 142.0 262.0 CHI 9 9 B 2 C O4' B 2 C C1' B 2 C N1 B 2 C C2 1.0 142.0 262.0 CHI 10 10 B 3 G O4' B 3 G C1' B 3 G N9 B 3 G C4 1.0 142.0 262.0 CHI 11 11 B 4 U O4' B 4 U C1' B 4 U N1 B 4 U C2 1.0 142.0 262.0 CHI 12 12 B 5 A O4' B 5 A C1' B 5 A N9 B 5 A C4 1.0 142.0 262.0 CHI 13 13 B 6 G O4' B 6 G C1' B 6 G N9 B 6 G C4 1.0 142.0 262.0 CHI 14 14 B 7 C O4' B 7 C C1' B 7 C N1 B 7 C C2 1.0 142.0 262.0 CHI 15 15 B 8 G O4' B 8 G C1' B 8 G N9 B 8 G C4 1.0 142.0 262.0 CHI 16 16 A 1 C O3' A 2 G P A 2 G O5' A 2 G C5' 1.0 -120.0 120.0 ALPHA 17 17 A 2 G O3' A 3 C P A 3 C O5' A 3 C C5' 1.0 -120.0 120.0 ALPHA 18 18 A 5 A O3' A 6 C P A 6 C O5' A 6 C C5' 1.0 -120.0 120.0 ALPHA 19 19 A 6 C O3' A 7 G P A 7 G O5' A 7 G C5' 1.0 -120.0 120.0 ALPHA 20 20 A 7 G O3' A 8 C P A 8 C O5' A 8 C C5' 1.0 -120.0 120.0 ALPHA 21 21 B 1 G O3' B 2 C P B 2 C O5' B 2 C C5' 1.0 -120.0 120.0 ALPHA 22 22 B 2 C O3' B 3 G P B 3 G O5' B 3 G C5' 1.0 -120.0 120.0 ALPHA 23 23 B 3 G O3' B 4 U P B 4 U O5' B 4 U C5' 1.0 -120.0 120.0 ALPHA 24 24 B 4 U O3' B 5 A P B 5 A O5' B 5 A C5' 1.0 -120.0 120.0 ALPHA 25 25 B 5 A O3' B 6 G P B 6 G O5' B 6 G C5' 1.0 -120.0 120.0 ALPHA 26 26 B 6 G O3' B 7 C P B 7 C O5' B 7 C C5' 1.0 -120.0 120.0 ALPHA 27 27 B 7 C O3' B 8 G P B 8 G O5' B 8 G C5' 1.0 -120.0 120.0 ALPHA 28 28 A 2 G P A 2 G O5' A 2 G C5' A 2 G C4' 1.0 148.0 208.0 BETA 29 29 A 3 C P A 3 C O5' A 3 C C5' A 3 C C4' 1.0 148.0 208.0 BETA 30 30 A 5 A P A 5 A O5' A 5 A C5' A 5 A C4' 1.0 148.0 208.0 BETA 31 31 A 6 C P A 6 C O5' A 6 C C5' A 6 C C4' 1.0 148.0 208.0 BETA 32 32 A 7 G P A 7 G O5' A 7 G C5' A 7 G C4' 1.0 148.0 208.0 BETA 33 33 A 8 C P A 8 C O5' A 8 C C5' A 8 C C4' 1.0 148.0 208.0 BETA 34 34 B 2 C P B 2 C O5' B 2 C C5' B 2 C C4' 1.0 148.0 208.0 BETA 35 35 B 3 G P B 3 G O5' B 3 G C5' B 3 G C4' 1.0 148.0 208.0 BETA 36 36 B 4 U P B 4 U O5' B 4 U C5' B 4 U C4' 1.0 148.0 208.0 BETA 37 37 B 5 A P B 5 A O5' B 5 A C5' B 5 A C4' 1.0 148.0 208.0 BETA 38 38 B 6 G P B 6 G O5' B 6 G C5' B 6 G C4' 1.0 148.0 208.0 BETA 39 39 B 7 C P B 7 C O5' B 7 C C5' B 7 C C4' 1.0 148.0 208.0 BETA 40 40 B 8 G P B 8 G O5' B 8 G C5' B 8 G C4' 1.0 148.0 208.0 BETA 41 41 A 2 G O5' A 2 G C5' A 2 G C4' A 2 G C3' 1.0 24.0 84.0 GAMMA 42 42 A 3 C O5' A 3 C C5' A 3 C C4' A 3 C C3' 1.0 24.0 84.0 GAMMA 43 43 A 5 A O5' A 5 A C5' A 5 A C4' A 5 A C3' 1.0 24.0 84.0 GAMMA 44 44 A 6 C O5' A 6 C C5' A 6 C C4' A 6 C C3' 1.0 24.0 84.0 GAMMA 45 45 A 7 G O5' A 7 G C5' A 7 G C4' A 7 G C3' 1.0 24.0 84.0 GAMMA 46 46 A 8 C O5' A 8 C C5' A 8 C C4' A 8 C C3' 1.0 24.0 84.0 GAMMA 47 47 B 2 C O5' B 2 C C5' B 2 C C4' B 2 C C3' 1.0 24.0 84.0 GAMMA 48 48 B 3 G O5' B 3 G C5' B 3 G C4' B 3 G C3' 1.0 24.0 84.0 GAMMA 49 49 B 4 U O5' B 4 U C5' B 4 U C4' B 4 U C3' 1.0 24.0 84.0 GAMMA 50 50 B 5 A O5' B 5 A C5' B 5 A C4' B 5 A C3' 1.0 24.0 84.0 GAMMA 51 51 B 6 G O5' B 6 G C5' B 6 G C4' B 6 G C3' 1.0 24.0 84.0 GAMMA 52 52 B 7 C O5' B 7 C C5' B 7 C C4' B 7 C C3' 1.0 24.0 84.0 GAMMA 53 53 B 8 G O5' B 8 G C5' B 8 G C4' B 8 G C3' 1.0 24.0 84.0 GAMMA 54 54 A 1 C C3' A 1 C O3' A 2 G P A 2 G O5' 1.0 -120.0 120.0 ZETA 55 55 A 2 G C3' A 2 G O3' A 3 C P A 3 C O5' 1.0 -120.0 120.0 ZETA 56 56 A 5 A C3' A 5 A O3' A 6 C P A 6 C O5' 1.0 -120.0 120.0 ZETA 57 57 A 6 C C3' A 6 C O3' A 7 G P A 7 G O5' 1.0 -120.0 120.0 ZETA 58 58 A 7 G C3' A 7 G O3' A 8 C P A 8 C O5' 1.0 -120.0 120.0 ZETA 59 59 B 1 G C3' B 1 G O3' B 2 C P B 2 C O5' 1.0 -120.0 120.0 ZETA 60 60 B 2 C C3' B 2 C O3' B 3 G P B 3 G O5' 1.0 -120.0 120.0 ZETA 61 61 B 3 G C3' B 3 G O3' B 4 U P B 4 U O5' 1.0 -120.0 120.0 ZETA 62 62 B 4 U C3' B 4 U O3' B 5 A P B 5 A O5' 1.0 -120.0 120.0 ZETA 63 63 B 5 A C3' B 5 A O3' B 6 G P B 6 G O5' 1.0 -120.0 120.0 ZETA 64 64 B 6 G C3' B 6 G O3' B 7 C P B 7 C O5' 1.0 -120.0 120.0 ZETA 65 65 B 7 C C3' B 7 C O3' B 8 G P B 8 G O5' 1.0 -120.0 120.0 ZETA 66 66 A 1 C C4' A 1 C C3' A 1 C O3' A 2 G P 1.0 165.0 285.0 EPSILON 67 67 A 2 G C4' A 2 G C3' A 2 G O3' A 3 C P 1.0 165.0 285.0 EPSILON 68 68 A 5 A C4' A 5 A C3' A 5 A O3' A 6 C P 1.0 165.0 285.0 EPSILON 69 69 A 6 C C4' A 6 C C3' A 6 C O3' A 7 G P 1.0 165.0 285.0 EPSILON 70 70 A 7 G C4' A 7 G C3' A 7 G O3' A 8 C P 1.0 165.0 285.0 EPSILON 71 71 A 8 C C4' A 8 C C3' A 8 C O3' A 9 DT P 1.0 165.0 285.0 EPSILON 72 72 B 1 G C4' B 1 G C3' B 1 G O3' B 2 C P 1.0 165.0 285.0 EPSILON 73 73 B 2 C C4' B 2 C C3' B 2 C O3' B 3 G P 1.0 165.0 285.0 EPSILON 74 74 B 3 G C4' B 3 G C3' B 3 G O3' B 4 U P 1.0 165.0 285.0 EPSILON 75 75 B 4 U C4' B 4 U C3' B 4 U O3' B 5 A P 1.0 165.0 285.0 EPSILON 76 76 B 5 A C4' B 5 A C3' B 5 A O3' B 6 G P 1.0 165.0 285.0 EPSILON 77 77 B 6 G C4' B 6 G C3' B 6 G O3' B 7 C P 1.0 165.0 285.0 EPSILON 78 78 B 7 C C4' B 7 C C3' B 7 C O3' B 8 G P 1.0 165.0 285.0 EPSILON 79 79 B 8 G C4' B 8 G C3' B 8 G O3' B 9 DT P 1.0 165.0 285.0 EPSILON 80 80 A 1 C H1' A 1 C C1' A 1 C C2' A 1 C H2' 1.0 79.2 119.2 . 81 81 A 1 C H2' A 1 C C2' A 1 C C3' A 1 C H3' 1.0 19.4 59.4 . 82 82 A 1 C H3' A 1 C C3' A 1 C C4' A 1 C H4' 1.0 -182.0 -142.0 . 83 83 A 2 G H1' A 2 G C1' A 2 G C2' A 2 G H2' 1.0 79.2 119.2 . 84 84 A 2 G H2' A 2 G C2' A 2 G C3' A 2 G H3' 1.0 19.4 59.4 . 85 85 A 2 G H3' A 2 G C3' A 2 G C4' A 2 G H4' 1.0 -182.0 -142.0 . 86 86 A 3 C H1' A 3 C C1' A 3 C C2' A 3 C H2' 1.0 79.2 119.2 . 87 87 A 3 C H2' A 3 C C2' A 3 C C3' A 3 C H3' 1.0 19.4 59.4 . 88 88 A 3 C H3' A 3 C C3' A 3 C C4' A 3 C H4' 1.0 -182.0 -142.0 . 89 89 A 5 A H1' A 5 A C1' A 5 A C2' A 5 A H2' 1.0 79.2 119.2 . 90 90 A 5 A H2' A 5 A C2' A 5 A C3' A 5 A H3' 1.0 19.4 59.4 . 91 91 A 5 A H3' A 5 A C3' A 5 A C4' A 5 A H4' 1.0 -182.0 -142.0 . 92 92 A 6 C H1' A 6 C C1' A 6 C C2' A 6 C H2' 1.0 79.2 119.2 . 93 93 A 6 C H2' A 6 C C2' A 6 C C3' A 6 C H3' 1.0 19.4 59.4 . 94 94 A 6 C H3' A 6 C C3' A 6 C C4' A 6 C H4' 1.0 -182.0 -142.0 . 95 95 A 7 G H1' A 7 G C1' A 7 G C2' A 7 G H2' 1.0 79.2 119.2 . 96 96 A 7 G H2' A 7 G C2' A 7 G C3' A 7 G H3' 1.0 19.4 59.4 . 97 97 A 7 G H3' A 7 G C3' A 7 G C4' A 7 G H4' 1.0 -182.0 -142.0 . 98 98 A 8 C H1' A 8 C C1' A 8 C C2' A 8 C H2' 1.0 79.2 119.2 . 99 99 A 8 C H2' A 8 C C2' A 8 C C3' A 8 C H3' 1.0 19.4 59.4 . 100 100 A 8 C H3' A 8 C C3' A 8 C C4' A 8 C H4' 1.0 -182.0 -142.0 . 101 101 B 1 G H1' B 1 G C1' B 1 G C2' B 1 G H2' 1.0 79.2 119.2 . 102 102 B 1 G H2' B 1 G C2' B 1 G C3' B 1 G H3' 1.0 19.4 59.4 . 103 103 B 1 G H3' B 1 G C3' B 1 G C4' B 1 G H4' 1.0 -182.0 -142.0 . 104 104 B 2 C H1' B 2 C C1' B 2 C C2' B 2 C H2' 1.0 79.2 119.2 . 105 105 B 2 C H2' B 2 C C2' B 2 C C3' B 2 C H3' 1.0 19.4 59.4 . 106 106 B 2 C H3' B 2 C C3' B 2 C C4' B 2 C H4' 1.0 -182.0 -142.0 . 107 107 B 3 G H1' B 3 G C1' B 3 G C2' B 3 G H2' 1.0 79.2 119.2 . 108 108 B 3 G H2' B 3 G C2' B 3 G C3' B 3 G H3' 1.0 19.4 59.4 . 109 109 B 3 G H3' B 3 G C3' B 3 G C4' B 3 G H4' 1.0 -182.0 -142.0 . 110 110 B 4 U H1' B 4 U C1' B 4 U C2' B 4 U H2' 1.0 79.2 119.2 . 111 111 B 4 U H2' B 4 U C2' B 4 U C3' B 4 U H3' 1.0 19.4 59.4 . 112 112 B 4 U H3' B 4 U C3' B 4 U C4' B 4 U H4' 1.0 -182.0 -142.0 . 113 113 B 5 A H1' B 5 A C1' B 5 A C2' B 5 A H2' 1.0 79.2 119.2 . 114 114 B 5 A H2' B 5 A C2' B 5 A C3' B 5 A H3' 1.0 19.4 59.4 . 115 115 B 5 A H3' B 5 A C3' B 5 A C4' B 5 A H4' 1.0 -182.0 -142.0 . 116 116 B 6 G H1' B 6 G C1' B 6 G C2' B 6 G H2' 1.0 79.2 119.2 . 117 117 B 6 G H2' B 6 G C2' B 6 G C3' B 6 G H3' 1.0 19.4 59.4 . 118 118 B 6 G H3' B 6 G C3' B 6 G C4' B 6 G H4' 1.0 -182.0 -142.0 . 119 119 B 7 C H1' B 7 C C1' B 7 C C2' B 7 C H2' 1.0 79.2 119.2 . 120 120 B 7 C H2' B 7 C C2' B 7 C C3' B 7 C H3' 1.0 19.4 59.4 . 121 121 B 7 C H3' B 7 C C3' B 7 C C4' B 7 C H4' 1.0 -182.0 -142.0 . 122 122 B 8 G H1' B 8 G C1' B 8 G C2' B 8 G H2' 1.0 79.2 119.2 . 123 123 B 8 G H2' B 8 G C2' B 8 G C3' B 8 G H3' 1.0 19.4 59.4 . 124 124 B 8 G H3' B 8 G C3' B 8 G C4' B 8 G H4' 1.0 -182.0 -142.0 . stop_ save_