data_nef_c17928_2ljb 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 PDB 2RLF PDB 2KIX PDB 2KIH PDB 2KWX BMRB 17929 stop_ 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 18 ARG start . . 2 A 19 SER middle . . 3 A 20 ASN middle . . 4 A 21 ASP middle . . 5 A 22 SER middle . . 6 A 23 SER middle . . 7 A 24 ASP middle . . 8 A 25 PRO middle . false 9 A 26 LEU middle . . 10 A 27 VAL middle . . 11 A 28 VAL middle . . 12 A 29 ALA middle . . 13 A 30 ALA middle . . 14 A 31 SER middle . . 15 A 32 ILE middle . . 16 A 33 ILE middle . . 17 A 34 GLY middle . false 18 A 35 ILE middle . . 19 A 36 LEU middle . . 20 A 37 HIS middle . . 21 A 38 PHE middle . . 22 A 39 ILE middle . . 23 A 40 ALA middle . . 24 A 41 TRP middle . . 25 A 42 THR middle . . 26 A 43 ILE middle . . 27 A 44 GLY middle . false 28 A 45 HIS middle . . 29 A 46 LEU middle . . 30 A 47 ASN middle . . 31 A 48 GLN middle . . 32 A 49 ILE middle . . 33 A 50 LYS middle . . 34 A 51 ARG middle . . 35 A 52 GLY end . false 36 B 18 ARG start . . 37 B 19 SER middle . . 38 B 20 ASN middle . . 39 B 21 ASP middle . . 40 B 22 SER middle . . 41 B 23 SER middle . . 42 B 24 ASP middle . . 43 B 25 PRO middle . false 44 B 26 LEU middle . . 45 B 27 VAL middle . . 46 B 28 VAL middle . . 47 B 29 ALA middle . . 48 B 30 ALA middle . . 49 B 31 SER middle . . 50 B 32 ILE middle . . 51 B 33 ILE middle . . 52 B 34 GLY middle . false 53 B 35 ILE middle . . 54 B 36 LEU middle . . 55 B 37 HIS middle . . 56 B 38 PHE middle . . 57 B 39 ILE middle . . 58 B 40 ALA middle . . 59 B 41 TRP middle . . 60 B 42 THR middle . . 61 B 43 ILE middle . . 62 B 44 GLY middle . false 63 B 45 HIS middle . . 64 B 46 LEU middle . . 65 B 47 ASN middle . . 66 B 48 GLN middle . . 67 B 49 ILE middle . . 68 B 50 LYS middle . . 69 B 51 ARG middle . . 70 B 52 GLY end . false 71 C 18 ARG start . . 72 C 19 SER middle . . 73 C 20 ASN middle . . 74 C 21 ASP middle . . 75 C 22 SER middle . . 76 C 23 SER middle . . 77 C 24 ASP middle . . 78 C 25 PRO middle . false 79 C 26 LEU middle . . 80 C 27 VAL middle . . 81 C 28 VAL middle . . 82 C 29 ALA middle . . 83 C 30 ALA middle . . 84 C 31 SER middle . . 85 C 32 ILE middle . . 86 C 33 ILE middle . . 87 C 34 GLY middle . false 88 C 35 ILE middle . . 89 C 36 LEU middle . . 90 C 37 HIS middle . . 91 C 38 PHE middle . . 92 C 39 ILE middle . . 93 C 40 ALA middle . . 94 C 41 TRP middle . . 95 C 42 THR middle . . 96 C 43 ILE middle . . 97 C 44 GLY middle . false 98 C 45 HIS middle . . 99 C 46 LEU middle . . 100 C 47 ASN middle . . 101 C 48 GLN middle . . 102 C 49 ILE middle . . 103 C 50 LYS middle . . 104 C 51 ARG middle . . 105 C 52 GLY end . false 106 D 18 ARG start . . 107 D 19 SER middle . . 108 D 20 ASN middle . . 109 D 21 ASP middle . . 110 D 22 SER middle . . 111 D 23 SER middle . . 112 D 24 ASP middle . . 113 D 25 PRO middle . false 114 D 26 LEU middle . . 115 D 27 VAL middle . . 116 D 28 VAL middle . . 117 D 29 ALA middle . . 118 D 30 ALA middle . . 119 D 31 SER middle . . 120 D 32 ILE middle . . 121 D 33 ILE middle . . 122 D 34 GLY middle . false 123 D 35 ILE middle . . 124 D 36 LEU middle . . 125 D 37 HIS middle . . 126 D 38 PHE middle . . 127 D 39 ILE middle . . 128 D 40 ALA middle . . 129 D 41 TRP middle . . 130 D 42 THR middle . . 131 D 43 ILE middle . . 132 D 44 GLY middle . false 133 D 45 HIS middle . . 134 D 46 LEU middle . . 135 D 47 ASN middle . . 136 D 48 GLN middle . . 137 D 49 ILE middle . . 138 D 50 LYS middle . . 139 D 51 ARG middle . . 140 D 52 GLY end . false 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 24 ASP H H 1 8.265 0.25 A 24 ASP CA C 13 52.959 0.25 A 24 ASP N N 15 125.504 0.25 A 26 LEU H H 1 8.246 0.25 A 26 LEU CA C 13 58.074 0.25 A 26 LEU N N 15 118.379 0.25 A 27 VAL H H 1 7.46 0.25 A 27 VAL CA C 13 66.481 0.25 A 27 VAL N N 15 120.561 0.25 A 28 VAL H H 1 7.978 0.25 A 28 VAL CA C 13 67.192 0.25 A 28 VAL N N 15 122.487 0.25 A 29 ALA H H 1 8.329 0.25 A 29 ALA CA C 13 55.864 0.25 A 29 ALA N N 15 121.46 0.25 A 30 ALA H H 1 8.362 0.25 A 30 ALA CA C 13 55.585 0.25 A 30 ALA N N 15 118.764 0.25 A 31 SER H H 1 8.081 0.25 A 31 SER CA C 13 63.128 0.25 A 31 SER N N 15 114.848 0.25 A 32 ILE H H 1 8.019 0.25 A 32 ILE CA C 13 65.406 0.25 A 32 ILE N N 15 122.166 0.25 A 33 ILE H H 1 8.157 0.25 A 33 ILE CA C 13 65.516 0.25 A 33 ILE N N 15 119.855 0.25 A 34 GLY H H 1 8.605 0.25 A 34 GLY CA C 13 47.884 0.25 A 34 GLY N N 15 124.669 0.25 A 35 ILE H H 1 8.35 0.25 A 35 ILE CA C 13 65.381 0.25 A 35 ILE N N 15 122.487 0.25 A 36 LEU H H 1 8.327 0.25 A 36 LEU CA C 13 58.734 0.25 A 36 LEU N N 15 120.69 0.25 A 37 HIS H H 1 8.432 0.25 A 37 HIS CA C 13 60.995 0.25 A 37 HIS N N 15 118.892 0.25 A 38 PHE H H 1 8.415 0.25 A 38 PHE CA C 13 61.655 0.25 A 38 PHE N N 15 120.754 0.25 A 39 ILE H H 1 8.747 0.25 A 39 ILE CA C 13 65.947 0.25 A 39 ILE N N 15 122.487 0.25 A 40 ALA H H 1 8.346 0.25 A 40 ALA CA C 13 55.966 0.25 A 40 ALA N N 15 122.808 0.25 A 41 TRP H H 1 8.719 0.25 A 41 TRP CA C 13 61.305 0.25 A 41 TRP N N 15 120.625 0.25 A 42 THR H H 1 8.17 0.25 A 42 THR CA C 13 67.884 0.25 A 42 THR N N 15 117.352 0.25 A 43 ILE H H 1 8.181 0.25 A 43 ILE CA C 13 65.151 0.25 A 43 ILE N N 15 120.946 0.25 A 44 GLY H H 1 7.902 0.25 A 44 GLY CA C 13 47.047 0.25 A 44 GLY N N 15 123.707 0.25 A 45 HIS H H 1 7.578 0.25 A 45 HIS CA C 13 59.277 0.25 A 45 HIS N N 15 120.497 0.25 A 46 LEU H H 1 7.998 0.25 A 46 LEU CA C 13 57.298 0.25 A 46 LEU N N 15 120.176 0.25 A 47 ASN H H 1 8.039 0.25 A 47 ASN CA C 13 54.811 0.25 A 47 ASN N N 15 116.774 0.25 A 48 GLN H H 1 7.618 0.25 A 48 GLN CA C 13 56.841 0.25 A 48 GLN N N 15 118.571 0.25 A 49 ILE H H 1 7.565 0.25 A 49 ILE CA C 13 62.271 0.25 A 49 ILE N N 15 119.919 0.25 A 50 LYS H H 1 7.976 0.25 A 50 LYS CA C 13 56.675 0.25 A 50 LYS N N 15 124.477 0.25 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 26 LEU H A 26 LEU HA 1.0 2.5 3.1 2 2 A 26 LEU H A 27 VAL H 1.0 2.5 3.1 3 3 A 26 LEU HA A 27 VAL H 1.0 3.2 3.8 4 4 A 26 LEU H A 27 VAL H 1.0 2.5 3.1 5 5 A 27 VAL H A 27 VAL HA 1.0 2.5 3.1 6 6 A 27 VAL H A 27 VAL HB 1.0 2.0 2.6 7 7 A 27 VAL H A 28 VAL H 1.0 2.5 3.1 8 8 A 28 VAL H A 25 PRO HA 1.0 3.2 3.8 9 9 A 27 VAL H A 28 VAL H 1.0 2.5 3.1 10 10 A 28 VAL H A 28 VAL HA 1.0 2.5 3.1 11 11 A 28 VAL H A 28 VAL HB 1.0 2.0 2.6 12 12 A 28 VAL H A 29 ALA H 1.0 2.5 3.1 13 13 A 25 PRO HA A 29 ALA H 1.0 3.7 4.3 14 14 A 26 LEU HA A 29 ALA H 1.0 3.2 3.8 15 15 A 28 VAL HA A 29 ALA H 1.0 3.3 3.9 16 16 A 28 VAL H A 29 ALA H 1.0 2.4 3.0 17 17 A 29 ALA H A 29 ALA HA 1.0 2.5 3.1 18 18 A 27 VAL HA A 30 ALA H 1.0 3.2 3.8 19 19 A 30 ALA H A 30 ALA HA 1.0 2.5 3.1 20 20 A 30 ALA H A 31 SER H 1.0 2.5 3.1 21 21 A 28 VAL HA A 31 SER H 1.0 3.2 3.8 22 22 A 30 ALA HA A 31 SER H 1.0 3.3 3.9 23 23 A 30 ALA H A 31 SER H 1.0 2.4 3.0 24 24 A 31 SER H A 31 SER HA 1.0 2.5 3.1 25 25 A 31 SER H A 31 SER HBy 1.0 2.2 2.8 26 26 A 31 SER H A 31 SER HBx 1.0 2.2 2.8 27 27 A 29 ALA HA A 32 ILE H 1.0 3.2 3.8 28 28 A 31 SER HA A 32 ILE H 1.0 3.2 3.8 29 29 A 32 ILE H A 32 ILE HA 1.0 2.5 3.1 30 30 A 32 ILE H A 33 ILE H 1.0 2.5 3.1 31 31 A 30 ALA HA A 33 ILE H 1.0 3.1 3.7 32 32 A 32 ILE H A 33 ILE H 1.0 2.5 3.1 33 33 A 33 ILE H A 33 ILE HB 1.0 1.9 2.5 34 34 A 33 ILE H A 33 ILE HG1y 1.0 2.4 3.0 35 35 A 33 ILE H A 33 ILE HG1x 1.0 2.4 3.0 36 36 A 33 ILE H A 34 GLY H 1.0 2.5 3.1 37 37 A 30 ALA HA A 33 ILE HD11 1.0 2.7 3.3 38 38 A 33 ILE HG21 A 37 HIS HD2 1.0 3.5 4.5 39 39 A 34 GLY H A 33 ILE HA 1.0 3.2 3.8 40 40 A 33 ILE HB A 34 GLY H 1.0 2.4 3.0 41 41 A 33 ILE H A 34 GLY H 1.0 2.5 3.1 42 42 A 34 GLY H A 35 ILE H 1.0 2.5 3.1 43 43 A 32 ILE HA A 35 ILE H 1.0 3.2 3.8 44 44 A 35 ILE H A 34 GLY HAx 1.0 3.2 3.8 45 45 A 34 GLY H A 35 ILE H 1.0 2.4 3.0 46 46 A 35 ILE H A 35 ILE HA 1.0 2.5 3.1 47 47 A 33 ILE HA A 36 LEU H 1.0 3.0 3.6 48 48 A 35 ILE HA A 36 LEU H 1.0 3.5 4.1 49 49 A 36 LEU H A 36 LEU HA 1.0 2.7 3.3 50 50 A 36 LEU H A 37 HIS H 1.0 2.5 3.1 51 51 A 34 GLY HAx A 37 HIS H 1.0 3.2 3.8 52 52 A 36 LEU HA A 37 HIS H 1.0 3.4 4.0 53 53 A 36 LEU H A 37 HIS H 1.0 2.5 3.1 54 54 A 37 HIS H A 37 HIS HA 1.0 2.3 2.9 55 55 A 37 HIS H A 37 HIS HBx 1.0 2.1 2.7 56 55 A 37 HIS H A 37 HIS HBy 1.0 2.1 2.7 57 56 A 35 ILE HA A 38 PHE H 1.0 3.2 3.8 58 57 A 37 HIS HA A 38 PHE H 1.0 3.3 3.9 59 58 A 38 PHE H A 38 PHE HA 1.0 2.5 3.1 60 59 A 38 PHE H A 39 ILE H 1.0 2.5 3.1 61 60 A 36 LEU HA A 39 ILE H 1.0 3.1 3.7 62 61 A 38 PHE HA A 39 ILE H 1.0 3.4 4.0 63 62 A 38 PHE H A 39 ILE H 1.0 2.5 3.1 64 63 A 39 ILE H A 39 ILE HA 1.0 2.4 3.0 65 64 A 39 ILE H A 40 ALA H 1.0 2.5 3.1 66 65 A 37 HIS HA A 40 ALA H 1.0 3.2 3.8 67 66 A 39 ILE HA A 40 ALA H 1.0 3.2 3.8 68 67 A 40 ALA H A 40 ALA HA 1.0 2.5 3.1 69 68 A 37 HIS HA A 40 ALA HB1 1.0 2.7 3.3 70 69 A 40 ALA HB1 A 37 HIS HBx 1.0 3.8 4.8 71 69 A 37 HIS HBy A 40 ALA HB1 1.0 3.8 4.8 72 70 A 38 PHE HA A 41 TRP H 1.0 3.1 3.7 73 71 A 40 ALA HA A 41 TRP H 1.0 3.4 4.0 74 72 A 40 ALA H A 41 TRP H 1.0 2.5 3.1 75 73 A 41 TRP H A 41 TRP HA 1.0 2.4 3.0 76 74 A 41 TRP H A 41 TRP HBy 1.0 2.2 2.8 77 75 A 41 TRP H A 41 TRP HBx 1.0 2.2 2.8 78 76 A 41 TRP H A 42 THR H 1.0 2.5 3.1 79 77 A 41 TRP HA A 41 TRP HD1 1.0 2.8 3.6 80 78 A 41 TRP HD1 A 42 THR HG21 1.0 3.5 4.5 81 79 A 38 PHE HA A 42 THR H 1.0 4.1 4.7 82 80 A 41 TRP HA A 42 THR H 1.0 3.3 3.9 83 81 A 41 TRP H A 42 THR H 1.0 2.5 3.1 84 82 A 40 ALA HA A 43 ILE H 1.0 3.3 3.9 85 83 A 43 ILE H A 42 THR HA 1.0 3.1 3.7 86 84 A 43 ILE H A 43 ILE HA 1.0 2.5 3.1 87 85 A 43 ILE H A 43 ILE HB 1.0 2.0 2.6 88 86 A 43 ILE H A 44 GLY H 1.0 2.5 3.1 89 87 A 41 TRP HA A 44 GLY H 1.0 3.3 3.9 90 88 A 43 ILE HA A 44 GLY H 1.0 3.2 3.8 91 89 A 43 ILE H A 44 GLY H 1.0 2.5 3.1 92 90 A 44 GLY H A 45 HIS H 1.0 2.5 3.1 93 91 A 42 THR HA A 45 HIS H 1.0 3.3 3.9 94 92 A 44 GLY H A 45 HIS H 1.0 2.5 3.1 95 93 A 45 HIS H A 45 HIS HA 1.0 2.4 3.0 96 94 A 45 HIS H A 45 HIS HBy 1.0 2.1 2.7 97 95 A 45 HIS H A 45 HIS HBx 1.0 2.1 2.7 98 96 A 45 HIS H A 46 LEU H 1.0 2.5 3.1 99 97 A 43 ILE HA A 46 LEU H 1.0 3.4 4.0 100 98 A 45 HIS HA A 46 LEU H 1.0 3.2 3.8 101 99 A 45 HIS H A 46 LEU H 1.0 2.5 3.1 102 100 A 46 LEU H A 46 LEU HA 1.0 2.5 3.1 103 101 A 46 LEU H A 46 LEU HG 1.0 2.5 3.1 104 102 A 46 LEU HA A 47 ASN H 1.0 3.5 4.1 105 103 A 47 ASN H A 47 ASN HA 1.0 2.5 3.1 106 104 A 47 ASN H A 48 GLN H 1.0 2.9 3.5 107 105 A 47 ASN HA A 48 GLN H 1.0 3.1 3.7 108 106 A 47 ASN H A 48 GLN H 1.0 2.9 3.5 109 107 A 48 GLN H A 48 GLN HA 1.0 2.3 2.9 110 108 A 48 GLN H A 48 GLN HBy 1.0 2.2 2.8 111 109 A 48 GLN H A 48 GLN HBx 1.0 2.2 2.8 112 110 A 48 GLN HA A 49 ILE H 1.0 2.7 3.3 113 111 A 49 ILE H A 49 ILE HA 1.0 2.5 3.1 114 112 A 49 ILE H A 50 LYS H 1.0 3.2 3.8 115 113 A 46 LEU H A 49 ILE HG21 1.0 3.2 4.2 stop_ save_ save_CNS/XPLOR_distance_constraints_5 _nef_distance_restraint_list.sf_category nef_distance_restraint_list _nef_distance_restraint_list.sf_framecode CNS/XPLOR_distance_constraints_5 _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 26 LEU HD21 B 28 VAL HB 1.0 3.0 4.0 2 2 B 26 LEU HD21 C 28 VAL HB 1.0 3.0 4.0 3 3 C 26 LEU HD21 D 28 VAL HB 1.0 3.0 4.0 4 4 A 28 VAL HB D 26 LEU HD21 1.0 3.0 4.0 5 5 A 28 VAL HG11 D 26 LEU HG 1.0 3.0 4.0 6 6 D 28 VAL HG11 C 26 LEU HG 1.0 3.0 4.0 7 7 C 28 VAL HG11 B 26 LEU HG 1.0 3.0 4.0 8 8 B 28 VAL HG11 A 26 LEU HG 1.0 3.0 4.0 9 9 A 33 ILE HD11 B 35 ILE H 1.0 3.0 4.0 10 10 B 33 ILE HD11 C 35 ILE H 1.0 3.0 4.0 11 11 C 33 ILE HD11 D 35 ILE H 1.0 3.0 4.0 12 12 A 35 ILE H D 33 ILE HD11 1.0 3.0 4.0 13 13 A 33 ILE HD11 B 38 PHE HBx 1.0 3.5 4.5 14 13 A 33 ILE HD11 B 38 PHE HBy 1.0 3.5 4.5 15 14 B 33 ILE HD11 C 38 PHE HBx 1.0 3.5 4.5 16 14 B 33 ILE HD11 C 38 PHE HBy 1.0 3.5 4.5 17 15 C 33 ILE HD11 D 38 PHE HBx 1.0 3.5 4.5 18 15 C 33 ILE HD11 D 38 PHE HBy 1.0 3.5 4.5 19 16 D 33 ILE HD11 A 38 PHE HBx 1.0 3.5 4.5 20 16 D 33 ILE HD11 A 38 PHE HBy 1.0 3.5 4.5 21 17 D 33 ILE HD11 A 35 ILE HG21 1.0 2.5 3.5 22 18 C 33 ILE HD11 D 35 ILE HG21 1.0 2.5 3.5 23 19 B 33 ILE HD11 C 35 ILE HG21 1.0 2.5 3.5 24 20 A 33 ILE HD11 B 35 ILE HG21 1.0 2.5 3.5 25 21 B 38 PHE HD% A 36 LEU HD11 1.0 2.5 3.5 26 21 A 36 LEU HD21 B 38 PHE HD% 1.0 2.5 3.5 27 22 C 38 PHE HD% B 36 LEU HD11 1.0 2.5 3.5 28 22 B 36 LEU HD21 C 38 PHE HD% 1.0 2.5 3.5 29 23 D 38 PHE HD% C 36 LEU HD11 1.0 2.5 3.5 30 23 C 36 LEU HD21 D 38 PHE HD% 1.0 2.5 3.5 31 24 A 38 PHE HD% D 36 LEU HD11 1.0 2.5 3.5 32 24 D 36 LEU HD21 A 38 PHE HD% 1.0 2.5 3.5 33 25 A 40 ALA H B 41 TRP HH2 1.0 4.0 5.0 34 26 B 40 ALA H C 41 TRP HH2 1.0 4.0 5.0 35 27 C 40 ALA H D 41 TRP HH2 1.0 4.0 5.0 36 28 D 40 ALA H A 41 TRP HH2 1.0 4.0 5.0 37 29 A 40 ALA HB1 B 41 TRP HH2 1.0 3.0 4.0 38 30 C 41 TRP HH2 B 40 ALA HB1 1.0 3.0 4.0 39 31 D 41 TRP HH2 C 40 ALA HB1 1.0 3.0 4.0 40 32 A 41 TRP HH2 D 40 ALA HB1 1.0 3.0 4.0 41 33 A 41 TRP H B 41 TRP HH2 1.0 3.0 4.0 42 34 C 41 TRP HH2 B 41 TRP H 1.0 3.0 4.0 43 35 D 41 TRP HH2 C 41 TRP H 1.0 3.0 4.0 44 36 A 41 TRP HH2 D 41 TRP H 1.0 3.0 4.0 45 37 A 41 TRP HZ2 D 41 TRP HBx 1.0 3.0 4.0 46 37 A 41 TRP HZ2 D 41 TRP HBy 1.0 3.0 4.0 47 38 D 41 TRP HZ2 C 41 TRP HBx 1.0 3.0 4.0 48 38 D 41 TRP HZ2 C 41 TRP HBy 1.0 3.0 4.0 49 39 C 41 TRP HZ2 B 41 TRP HBx 1.0 3.0 4.0 50 39 C 41 TRP HZ2 B 41 TRP HBy 1.0 3.0 4.0 51 40 B 41 TRP HZ2 A 41 TRP HBy 1.0 3.0 4.0 52 40 B 41 TRP HZ2 A 41 TRP HBx 1.0 3.0 4.0 53 41 A 41 TRP HE1 D 43 ILE HB 1.0 3.5 4.5 54 42 D 41 TRP HE1 C 43 ILE HB 1.0 3.5 4.5 55 43 C 41 TRP HE1 B 43 ILE HB 1.0 3.5 4.5 56 44 A 43 ILE HB B 41 TRP HE1 1.0 3.5 4.5 57 45 A 43 ILE HG21 B 45 HIS HD2 1.0 2.5 3.5 58 46 B 43 ILE HG21 C 45 HIS HD2 1.0 2.5 3.5 59 47 C 43 ILE HG21 D 45 HIS HD2 1.0 2.5 3.5 60 48 D 43 ILE HG21 A 45 HIS HD2 1.0 2.5 3.5 61 49 A 46 LEU HD21 B 48 GLN H 1.0 3.0 4.0 62 50 B 46 LEU HD21 C 48 GLN H 1.0 3.0 4.0 63 51 C 46 LEU HD21 D 48 GLN H 1.0 3.0 4.0 64 52 A 48 GLN H D 46 LEU HD21 1.0 3.0 4.0 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 25 PRO C A 26 LEU N A 26 LEU CA A 26 LEU C 1.0 -70.0 -50.0 PHI 2 2 A 26 LEU N A 26 LEU CA A 26 LEU C A 27 VAL N 1.0 -50.0 -30.0 PSI 3 3 A 26 LEU C A 27 VAL N A 27 VAL CA A 27 VAL C 1.0 -70.0 -50.0 PHI 4 4 A 27 VAL N A 27 VAL CA A 27 VAL C A 28 VAL N 1.0 -50.0 -30.0 PSI 5 5 A 27 VAL C A 28 VAL N A 28 VAL CA A 28 VAL C 1.0 -70.0 -50.0 PHI 6 6 A 28 VAL N A 28 VAL CA A 28 VAL C A 29 ALA N 1.0 -50.0 -30.0 PSI 7 7 A 28 VAL C A 29 ALA N A 29 ALA CA A 29 ALA C 1.0 -70.0 -50.0 PHI 8 8 A 29 ALA N A 29 ALA CA A 29 ALA C A 30 ALA N 1.0 -50.0 -30.0 PSI 9 9 A 29 ALA C A 30 ALA N A 30 ALA CA A 30 ALA C 1.0 -70.0 -50.0 PHI 10 10 A 30 ALA N A 30 ALA CA A 30 ALA C A 31 SER N 1.0 -50.0 -30.0 PSI 11 11 A 30 ALA C A 31 SER N A 31 SER CA A 31 SER C 1.0 -70.0 -50.0 PHI 12 12 A 31 SER N A 31 SER CA A 31 SER C A 32 ILE N 1.0 -50.0 -30.0 PSI 13 13 A 31 SER C A 32 ILE N A 32 ILE CA A 32 ILE C 1.0 -70.0 -50.0 PHI 14 14 A 32 ILE N A 32 ILE CA A 32 ILE C A 33 ILE N 1.0 -50.0 -30.0 PSI 15 15 A 32 ILE C A 33 ILE N A 33 ILE CA A 33 ILE C 1.0 -70.0 -50.0 PHI 16 16 A 33 ILE N A 33 ILE CA A 33 ILE C A 34 GLY N 1.0 -50.0 -30.0 PSI 17 17 A 33 ILE C A 34 GLY N A 34 GLY CA A 34 GLY C 1.0 -70.0 -50.0 PHI 18 18 A 34 GLY N A 34 GLY CA A 34 GLY C A 35 ILE N 1.0 -50.0 -30.0 PSI 19 19 A 34 GLY C A 35 ILE N A 35 ILE CA A 35 ILE C 1.0 -70.0 -50.0 PHI 20 20 A 35 ILE N A 35 ILE CA A 35 ILE C A 36 LEU N 1.0 -50.0 -30.0 PSI 21 21 A 35 ILE C A 36 LEU N A 36 LEU CA A 36 LEU C 1.0 -70.0 -50.0 PHI 22 22 A 36 LEU N A 36 LEU CA A 36 LEU C A 37 HIS N 1.0 -50.0 -30.0 PSI 23 23 A 36 LEU C A 37 HIS N A 37 HIS CA A 37 HIS C 1.0 -70.0 -50.0 PHI 24 24 A 37 HIS N A 37 HIS CA A 37 HIS C A 38 PHE N 1.0 -50.0 -30.0 PSI 25 25 A 37 HIS C A 38 PHE N A 38 PHE CA A 38 PHE C 1.0 -70.0 -50.0 PHI 26 26 A 38 PHE N A 38 PHE CA A 38 PHE C A 39 ILE N 1.0 -50.0 -30.0 PSI 27 27 A 38 PHE C A 39 ILE N A 39 ILE CA A 39 ILE C 1.0 -70.0 -50.0 PHI 28 28 A 39 ILE N A 39 ILE CA A 39 ILE C A 40 ALA N 1.0 -50.0 -30.0 PSI 29 29 A 39 ILE C A 40 ALA N A 40 ALA CA A 40 ALA C 1.0 -70.0 -50.0 PHI 30 30 A 40 ALA N A 40 ALA CA A 40 ALA C A 41 TRP N 1.0 -50.0 -30.0 PSI 31 31 A 40 ALA C A 41 TRP N A 41 TRP CA A 41 TRP C 1.0 -70.0 -50.0 PHI 32 32 A 41 TRP N A 41 TRP CA A 41 TRP C A 42 THR N 1.0 -50.0 -30.0 PSI 33 33 A 41 TRP C A 42 THR N A 42 THR CA A 42 THR C 1.0 -70.0 -50.0 PHI 34 34 A 42 THR N A 42 THR CA A 42 THR C A 43 ILE N 1.0 -50.0 -30.0 PSI 35 35 A 42 THR C A 43 ILE N A 43 ILE CA A 43 ILE C 1.0 -70.0 -50.0 PHI 36 36 A 43 ILE N A 43 ILE CA A 43 ILE C A 44 GLY N 1.0 -50.0 -30.0 PSI 37 37 A 43 ILE C A 44 GLY N A 44 GLY CA A 44 GLY C 1.0 -70.0 -50.0 PHI 38 38 A 44 GLY N A 44 GLY CA A 44 GLY C A 45 HIS N 1.0 -50.0 -30.0 PSI 39 39 A 44 GLY C A 45 HIS N A 45 HIS CA A 45 HIS C 1.0 -70.0 -50.0 PHI 40 40 A 45 HIS N A 45 HIS CA A 45 HIS C A 46 LEU N 1.0 -50.0 -30.0 PSI 41 41 A 45 HIS C A 46 LEU N A 46 LEU CA A 46 LEU C 1.0 -70.0 -50.0 PHI 42 42 A 46 LEU N A 46 LEU CA A 46 LEU C A 47 ASN N 1.0 -50.0 -30.0 PSI 43 43 A 46 LEU C A 47 ASN N A 47 ASN CA A 47 ASN C 1.0 -70.0 -50.0 PHI 44 44 A 47 ASN N A 47 ASN CA A 47 ASN C A 48 GLN N 1.0 -50.0 -30.0 PSI stop_ save_ save_CNS/XPLOR_dipolar_coupling_4 _nef_rdc_restraint_list.sf_category nef_rdc_restraint_list _nef_rdc_restraint_list.sf_framecode CNS/XPLOR_dipolar_coupling_4 _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 24 ASP N A 24 ASP H 1.0 6.172 8.172 . 2 2 A 26 LEU N A 26 LEU H 1.0 -11.189 -9.189 . 3 3 A 27 VAL N A 27 VAL H 1.0 -15.765 -13.765 . 4 4 A 28 VAL N A 28 VAL H 1.0 -2.055 -0.055 . 5 5 A 29 ALA N A 29 ALA H 1.0 0.374 2.374 . 6 6 A 30 ALA N A 30 ALA H 1.0 -10.280 -8.280 . 7 7 A 31 SER N A 31 SER H 1.0 -11.166 -9.166 . 8 8 A 32 ILE N A 32 ILE H 1.0 2.428 4.428 . 9 9 A 33 ILE N A 33 ILE H 1.0 -3.568 -1.568 . 10 10 A 34 GLY N A 34 GLY H 1.0 -14.057 -12.057 . 11 11 A 35 ILE N A 35 ILE H 1.0 -5.412 -3.412 . 12 12 A 36 LEU N A 36 LEU H 1.0 2.195 4.195 . 13 13 A 37 HIS N A 37 HIS H 1.0 -6.766 -4.766 . 14 14 A 38 PHE N A 38 PHE H 1.0 -14.249 -12.249 . 15 15 A 39 ILE N A 39 ILE H 1.0 -0.164 1.836 . 16 16 A 40 ALA N A 40 ALA H 1.0 -0.527 1.473 . 17 17 A 41 TRP N A 41 TRP H 1.0 -12.668 -10.668 . 18 18 A 42 THR N A 42 THR H 1.0 -7.902 -5.902 . 19 19 A 43 ILE N A 43 ILE H 1.0 1.876 3.876 . 20 20 A 44 GLY N A 44 GLY H 1.0 -6.097 -4.097 . 21 21 A 45 HIS N A 45 HIS H 1.0 -18.290 -16.290 . 22 22 A 46 LEU N A 46 LEU H 1.0 1.856 3.856 . 23 23 A 47 ASN N A 47 ASN H 1.0 3.860 5.860 . 24 24 A 48 GLN N A 48 GLN H 1.0 -7.480 -5.480 . 25 25 A 49 ILE N A 49 ILE H 1.0 0.632 2.632 . 26 26 A 50 LYS N A 50 LYS H 1.0 1.034 3.034 . stop_ save_