data_nef_c16254_2kht 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 ALA start . . 2 A 2 CYS middle . . 3 A 3 TYR middle . . 4 A 4 CYS middle . . 5 A 5 ARG middle . . 6 A 6 ILE middle . . 7 A 7 PRO middle . false 8 A 8 ALA middle . . 9 A 9 CYS middle . . 10 A 10 ILE middle . . 11 A 11 ALA middle . . 12 A 12 GLY middle . false 13 A 13 GLU middle . . 14 A 14 ARG middle . . 15 A 15 ARG middle . . 16 A 16 TYR middle . . 17 A 17 GLY middle . false 18 A 18 THR middle . . 19 A 19 CYS middle . . 20 A 20 ILE middle . . 21 A 21 TYR middle . . 22 A 22 GLN middle . . 23 A 23 GLY middle . false 24 A 24 ARG middle . . 25 A 25 LEU middle . . 26 A 26 TRP middle . . 27 A 27 ALA middle . . 28 A 28 PHE middle . . 29 A 29 CYS middle . . 30 A 30 CYS 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 ALA C C 13 172.700 . A 1 ALA CA C 13 51.200 . A 1 ALA CB C 13 19.200 . A 1 ALA N N 15 41.700 . A 2 CYS C C 13 173.100 . A 2 CYS CA C 13 54.900 . A 2 CYS CB C 13 48.400 . A 2 CYS N N 15 117.800 . A 3 TYR C C 13 174.300 . A 3 TYR CA C 13 56.350 . A 3 TYR CB C 13 43.400 . A 3 TYR N N 15 117.600 . A 4 CYS C C 13 173.100 . A 4 CYS CA C 13 54.350 . A 4 CYS CB C 13 46.200 . A 4 CYS N N 15 130.600 . A 5 ARG C C 13 175.350 . A 5 ARG CA C 13 55.800 . A 5 ARG CB C 13 35.600 . A 5 ARG CD C 13 43.150 . A 5 ARG CG C 13 28.450 . A 5 ARG CZ C 13 159.900 . A 5 ARG N N 15 123.100 . A 6 ILE C C 13 174.300 . A 6 ILE CA C 13 58.150 . A 6 ILE CB C 13 42.850 . A 6 ILE CD1 C 13 11.800 . A 6 ILE CG1 C 13 16.850 . A 6 ILE CG2 C 13 29.900 . A 6 ILE N N 15 122.300 . A 7 PRO C C 13 174.350 . A 7 PRO CA C 13 63.950 . A 7 PRO CB C 13 34.600 . A 7 PRO CD C 13 49.300 . A 7 PRO CG C 13 24.850 . A 7 PRO N N 15 134.400 . A 8 ALA C C 13 174.750 . A 8 ALA CA C 13 50.550 . A 8 ALA CB C 13 22.200 . A 8 ALA N N 15 122.600 . A 9 CYS C C 13 174.700 . A 9 CYS CA C 13 52.500 . A 9 CYS CB C 13 35.200 . A 9 CYS N N 15 115.600 . A 10 ILE C C 13 175.100 . A 10 ILE CA C 13 59.600 . A 10 ILE CB C 13 39.200 . A 10 ILE CD1 C 13 13.850 . A 10 ILE CG1 C 13 17.600 . A 10 ILE CG2 C 13 25.500 . A 10 ILE N N 15 115.400 . A 11 ALA C C 13 177.050 . A 11 ALA CA C 13 53.500 . A 11 ALA CB C 13 18.250 . A 11 ALA N N 15 121.900 . A 12 GLY C C 13 174.500 . A 12 GLY CA C 13 44.250 . A 12 GLY N N 15 109.600 . A 13 GLU C C 13 175.300 . A 13 GLU CA C 13 54.100 . A 13 GLU CB C 13 33.100 . A 13 GLU CD C 13 183.450 . A 13 GLU CG C 13 36.100 . A 13 GLU N N 15 121.300 . A 14 ARG C C 13 173.100 . A 14 ARG CA C 13 54.400 . A 14 ARG N N 15 130.600 . A 15 ARG C C 13 177.000 . A 15 ARG CA C 13 56.300 . A 15 ARG CB C 13 30.000 . A 15 ARG CD C 13 44.150 . A 15 ARG CG C 13 28.650 . A 15 ARG CZ C 13 158.800 . A 15 ARG N N 15 122.800 . A 16 TYR C C 13 175.200 . A 16 TYR CA C 13 58.000 . A 16 TYR CB C 13 40.200 . A 16 TYR CG C 13 133.200 . A 16 TYR N N 15 128.100 . A 17 GLY C C 13 173.750 . A 17 GLY CA C 13 46.700 . A 17 GLY N N 15 107.300 . A 18 THR C C 13 173.400 . A 18 THR CA C 13 61.100 . A 18 THR CB C 13 71.300 . A 18 THR CG2 C 13 23.400 . A 18 THR N N 15 124.200 . A 19 CYS C C 13 173.400 . A 19 CYS CA C 13 53.250 . A 19 CYS CB C 13 44.750 . A 19 CYS N N 15 122.300 . A 20 ILE C C 13 175.200 . A 20 ILE CA C 13 61.350 . A 20 ILE CB C 13 37.600 . A 20 ILE CD1 C 13 13.100 . A 20 ILE CG1 C 13 17.800 . A 20 ILE CG2 C 13 26.150 . A 20 ILE N N 15 123.600 . A 21 TYR C C 13 174.300 . A 21 TYR CA C 13 56.700 . A 21 TYR CB C 13 39.450 . A 21 TYR CG C 13 128.500 . A 21 TYR N N 15 125.500 . A 22 GLN C C 13 175.450 . A 22 GLN CA C 13 55.850 . A 22 GLN CB C 13 25.550 . A 22 GLN CD C 13 178.200 . A 22 GLN CG C 13 33.600 . A 22 GLN N N 15 129.000 . A 23 GLY C C 13 172.000 . A 23 GLY CA C 13 45.700 . A 23 GLY N N 15 103.400 . A 24 ARG C C 13 173.700 . A 24 ARG CA C 13 53.400 . A 24 ARG CB C 13 34.100 . A 24 ARG CD C 13 42.900 . A 24 ARG CG C 13 27.200 . A 24 ARG N N 15 118.400 . A 25 LEU C C 13 176.100 . A 25 LEU CA C 13 53.350 . A 25 LEU CB C 13 42.900 . A 25 LEU CDy C 13 25.000 . A 25 LEU CDx C 13 24.100 . A 25 LEU CG C 13 27.100 . A 25 LEU N N 15 120.200 . A 26 TRP C C 13 177.000 . A 26 TRP CA C 13 53.750 . A 26 TRP CB C 13 30.700 . A 26 TRP N N 15 120.700 . A 27 ALA C C 13 174.700 . A 27 ALA CA C 13 52.850 . A 27 ALA CB C 13 18.600 . A 27 ALA N N 15 127.100 . A 28 PHE CA C 13 58.350 . A 28 PHE CB C 13 41.550 . A 28 PHE CG C 13 130.900 . A 28 PHE N N 15 123.800 . A 29 CYS C C 13 174.400 . A 29 CYS CA C 13 54.650 . A 29 CYS CB C 13 40.450 . A 29 CYS N N 15 121.900 . A 30 CYS C C 13 179.200 . A 30 CYS CA C 13 57.000 . A 30 CYS CB C 13 48.600 . A 30 CYS N N 15 121.100 . 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 disulfide_bond _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 CYS SG A 30 CYS SG 1.0 0.9 2.9 2 2 A 4 CYS SG A 19 CYS SG 1.0 0.9 2.9 3 3 A 9 CYS SG A 29 CYS SG 1.0 0.9 2.9 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 undefined _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 ALA CA A 2 CYS CA 1.0 2.8 4.8 2 2 A 2 CYS CA A 3 TYR CA 1.0 2.8 4.8 3 3 A 3 TYR CA A 4 CYS CA 1.0 2.8 4.8 4 4 A 4 CYS CA A 5 ARG CA 1.0 2.8 4.8 5 5 A 5 ARG CA A 6 ILE CA 1.0 2.8 4.8 6 6 A 6 ILE CA A 7 PRO CA 1.0 2.8 4.8 7 7 A 8 ALA CA A 9 CYS CA 1.0 2.8 4.8 8 8 A 9 CYS CA A 10 ILE CA 1.0 2.8 4.8 9 9 A 10 ILE CA A 11 ALA CA 1.0 2.8 4.8 10 10 A 11 ALA CA A 12 GLY CA 1.0 2.8 4.8 11 11 A 12 GLY CA A 13 GLU CA 1.0 2.8 4.8 12 12 A 13 GLU CA A 14 ARG CA 1.0 2.8 4.8 13 13 A 14 ARG CA A 15 ARG CA 1.0 2.8 4.8 14 14 A 17 GLY CA A 18 THR CA 1.0 2.8 4.8 15 15 A 18 THR CA A 19 CYS CA 1.0 2.8 4.8 16 16 A 20 ILE CA A 21 TYR CA 1.0 2.8 4.8 17 17 A 22 GLN CA A 23 GLY CA 1.0 2.8 4.8 18 18 A 28 PHE CA A 29 CYS CA 1.0 2.8 4.8 19 19 A 29 CYS CA A 30 CYS CA 1.0 2.8 4.8 20 20 A 2 CYS CA A 1 ALA CB 1.0 2.5 7.5 21 21 A 1 ALA CB A 2 CYS CB 1.0 2.5 7.5 22 22 A 1 ALA CA A 2 CYS CB 1.0 2.5 7.5 23 23 A 2 CYS CA A 3 TYR CB 1.0 2.5 7.5 24 24 A 3 TYR CA A 4 CYS CB 1.0 2.5 7.5 25 25 A 3 TYR CB A 4 CYS CB 1.0 2.5 7.5 26 26 A 4 CYS CA A 3 TYR CB 1.0 2.5 7.5 27 27 A 4 CYS CA A 5 ARG CB 1.0 2.5 7.5 28 28 A 4 CYS CA A 5 ARG CG 1.0 2.5 7.5 29 29 A 4 CYS CB A 5 ARG CD 1.0 2.5 7.5 30 30 A 4 CYS CB A 5 ARG CB 1.0 2.5 7.5 31 31 A 4 CYS CA A 5 ARG CD 1.0 2.5 7.5 32 32 A 5 ARG CA A 4 CYS CB 1.0 2.5 7.5 33 33 A 5 ARG CB A 6 ILE CG1 1.0 2.5 7.5 34 34 A 5 ARG CB A 6 ILE CD1 1.0 2.5 7.5 35 35 A 6 ILE CA A 5 ARG CB 1.0 2.5 7.5 36 36 A 5 ARG CD A 6 ILE CG1 1.0 2.5 7.5 37 37 A 5 ARG CB A 6 ILE CG1 1.0 2.5 7.5 38 38 A 5 ARG CG A 6 ILE CG1 1.0 2.5 7.5 39 39 A 5 ARG CB A 6 ILE CD1 1.0 2.5 7.5 40 40 A 5 ARG CA A 6 ILE CD1 1.0 2.5 7.5 41 41 A 5 ARG CD A 6 ILE CD1 1.0 2.5 7.5 42 42 A 6 ILE CA A 7 PRO CG 1.0 2.5 7.5 43 43 A 6 ILE CB A 7 PRO CD 1.0 2.5 7.5 44 44 A 6 ILE CG1 A 7 PRO CB 1.0 2.5 7.5 45 45 A 6 ILE CG1 A 7 PRO CD 1.0 2.5 7.5 46 46 A 6 ILE CG1 A 7 PRO CG 1.0 2.5 7.5 47 47 A 7 PRO CA A 6 ILE CD1 1.0 2.5 7.5 48 48 A 6 ILE CD1 A 7 PRO CB 1.0 2.5 7.5 49 49 A 6 ILE CA A 7 PRO CB 1.0 2.5 7.5 50 50 A 8 ALA CA A 7 PRO CD 1.0 2.5 7.5 51 51 A 7 PRO CD A 8 ALA CB 1.0 2.5 7.5 52 52 A 7 PRO CA A 8 ALA CB 1.0 2.5 7.5 53 53 A 8 ALA CA A 7 PRO CB 1.0 2.5 7.5 54 54 A 7 PRO CG A 8 ALA CB 1.0 2.5 7.5 55 55 A 8 ALA CA A 9 CYS CB 1.0 2.5 7.5 56 56 A 8 ALA CB A 9 CYS CB 1.0 2.5 7.5 57 57 A 9 CYS CA A 8 ALA CB 1.0 2.5 7.5 58 58 A 9 CYS CB A 10 ILE CG1 1.0 2.5 7.5 59 59 A 9 CYS CA A 10 ILE CB 1.0 2.5 7.5 60 60 A 9 CYS CB A 10 ILE CD1 1.0 2.5 7.5 61 61 A 9 CYS CA A 10 ILE CD1 1.0 2.5 7.5 62 62 A 9 CYS CA A 10 ILE CG1 1.0 2.5 7.5 63 63 A 9 CYS CB A 10 ILE CD1 1.0 2.5 7.5 64 64 A 9 CYS CB A 10 ILE CB 1.0 2.5 7.5 65 65 A 10 ILE CB A 11 ALA CB 1.0 2.5 7.5 66 66 A 11 ALA CA A 10 ILE CB 1.0 2.5 7.5 67 67 A 10 ILE CA A 11 ALA CB 1.0 2.5 7.5 68 68 A 11 ALA CA A 10 ILE CD1 1.0 2.5 7.5 69 69 A 11 ALA CA A 10 ILE CG2 1.0 2.5 7.5 70 70 A 10 ILE CG1 A 11 ALA CB 1.0 2.5 7.5 71 71 A 12 GLY CA A 11 ALA CB 1.0 2.5 7.5 72 72 A 12 GLY CA A 13 GLU CG 1.0 2.5 7.5 73 73 A 12 GLY CA A 13 GLU CB 1.0 2.5 7.5 74 74 A 13 GLU CA A 14 ARG CG 1.0 2.5 7.5 75 75 A 14 ARG CA A 13 GLU CB 1.0 2.5 7.5 76 76 A 13 GLU CG A 14 ARG CD 1.0 2.5 7.5 77 77 A 13 GLU CG A 14 ARG CB 1.0 2.5 7.5 78 78 A 13 GLU CG A 14 ARG CG 1.0 2.5 7.5 79 79 A 14 ARG CA A 13 GLU CG 1.0 2.5 7.5 80 80 A 13 GLU CB A 14 ARG CG 1.0 2.5 7.5 81 81 A 15 ARG CB A 16 TYR CA 1.0 2.5 7.5 82 82 A 15 ARG CD A 16 TYR CB 1.0 2.5 7.5 83 83 A 15 ARG CB A 16 TYR CB 1.0 2.5 7.5 84 84 A 15 ARG CA A 16 TYR CB 1.0 2.5 7.5 85 85 A 15 ARG CD A 16 TYR CB 1.0 2.5 7.5 86 86 A 16 TYR CB A 15 ARG CG 1.0 2.5 7.5 87 87 A 17 GLY CA A 18 THR CB 1.0 2.5 7.5 88 88 A 17 GLY CA A 18 THR CG2 1.0 2.5 7.5 89 89 A 18 THR CA A 19 CYS CB 1.0 2.5 7.5 90 90 A 18 THR CB A 19 CYS CB 1.0 2.5 7.5 91 91 A 19 CYS CA A 18 THR CB 1.0 2.5 7.5 92 92 A 18 THR CG2 A 19 CYS CB 1.0 2.5 7.5 93 93 A 19 CYS CA A 18 THR CG2 1.0 2.5 7.5 94 94 A 19 CYS CA A 20 ILE CB 1.0 2.5 7.5 95 95 A 19 CYS CB A 20 ILE CG1 1.0 2.5 7.5 96 96 A 19 CYS CA A 20 ILE CD1 1.0 2.5 7.5 97 97 A 19 CYS CB A 20 ILE CG1 1.0 2.5 7.5 98 98 A 19 CYS CB A 20 ILE CG2 1.0 2.5 7.5 99 99 A 20 ILE CA A 19 CYS CB 1.0 2.5 7.5 100 100 A 19 CYS CB A 20 ILE CD1 1.0 2.5 7.5 101 101 A 19 CYS CA A 20 ILE CG2 1.0 2.5 7.5 102 102 A 20 ILE CA A 21 TYR CB 1.0 2.5 7.5 103 103 A 21 TYR CA A 20 ILE CB 1.0 2.5 7.5 104 104 A 20 ILE CB A 21 TYR CB 1.0 2.5 7.5 105 105 A 21 TYR CA A 20 ILE CG1 1.0 2.5 7.5 106 106 A 21 TYR CA A 20 ILE CD1 1.0 2.5 7.5 107 107 A 20 ILE CG2 A 21 TYR CB 1.0 2.5 7.5 108 108 A 20 ILE CD1 A 21 TYR CB 1.0 2.5 7.5 109 109 A 20 ILE CG1 A 21 TYR CB 1.0 2.5 7.5 110 110 A 21 TYR CB A 22 GLN CB 1.0 2.5 7.5 111 111 A 21 TYR CA A 22 GLN CG 1.0 2.5 7.5 112 112 A 21 TYR CA A 22 GLN CB 1.0 2.5 7.5 113 113 A 23 GLY CA A 22 GLN CB 1.0 2.5 7.5 114 114 A 23 GLY CA A 22 GLN CG 1.0 2.5 7.5 115 115 A 23 GLY CA A 24 ARG CD 1.0 2.5 7.5 116 116 A 23 GLY CA A 24 ARG CB 1.0 2.5 7.5 117 117 A 23 GLY CA A 24 ARG CG 1.0 2.5 7.5 118 118 A 25 LEU CB A 26 TRP CB 1.0 2.5 7.5 119 119 A 25 LEU CB A 26 TRP CA 1.0 2.5 7.5 120 120 A 26 TRP CA A 27 ALA CB 1.0 2.5 7.5 121 121 A 26 TRP CB A 27 ALA CB 1.0 2.5 7.5 122 122 A 26 TRP CB A 27 ALA CA 1.0 2.5 7.5 123 123 A 27 ALA CA A 28 PHE CB 1.0 2.5 7.5 124 124 A 28 PHE CA A 27 ALA CB 1.0 2.5 7.5 125 125 A 27 ALA CB A 28 PHE CB 1.0 2.5 7.5 126 126 A 29 CYS CA A 28 PHE CB 1.0 2.5 7.5 127 127 A 29 CYS CB A 30 CYS CB 1.0 2.5 7.5 128 128 A 30 CYS CA A 29 CYS CB 1.0 2.5 7.5 129 129 A 29 CYS CA A 30 CYS CB 1.0 2.5 7.5 stop_ save_ save_CNS/XPLOR_distance_constraints_4 _nef_distance_restraint_list.sf_category nef_distance_restraint_list _nef_distance_restraint_list.sf_framecode CNS/XPLOR_distance_constraints_4 _nef_distance_restraint_list.restraint_origin undefined _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 ILE CA A 26 TRP CB 1.0 2.5 7.5 2 1 A 18 THR CA A 26 TRP CB 1.0 2.5 7.5 3 2 A 26 TRP CB A 28 PHE CB 1.0 2.5 7.5 4 3 A 20 ILE CA A 26 TRP CA 1.0 2.5 7.5 5 3 A 18 THR CA A 26 TRP CA 1.0 2.5 7.5 6 4 A 10 ILE CA A 7 PRO CG 1.0 2.5 7.5 7 4 A 6 ILE CA A 7 PRO CG 1.0 2.5 7.5 8 5 A 20 ILE CB A 25 LEU CA 1.0 2.5 7.5 9 6 A 21 TYR CA A 25 LEU CA 1.0 2.5 7.5 10 6 A 21 TYR CA A 24 ARG CA 1.0 2.5 7.5 11 7 A 15 ARG CA A 27 ALA CB 1.0 2.5 7.5 12 8 A 15 ARG CA A 27 ALA CA 1.0 2.5 7.5 13 9 A 29 CYS CA A 30 CYS CA 1.0 2.5 7.5 14 9 A 2 CYS CA A 30 CYS CA 1.0 2.5 7.5 15 10 A 4 CYS CB A 19 CYS CB 1.0 2.5 7.5 16 11 A 14 ARG CA A 29 CYS CB 1.0 2.5 7.5 17 11 A 13 GLU CA A 29 CYS CB 1.0 2.5 7.5 18 12 A 29 CYS CA A 30 CYS CB 1.0 2.5 7.5 19 12 A 2 CYS CA A 30 CYS CB 1.0 2.5 7.5 20 13 A 15 ARG CA A 27 ALA CB 1.0 2.5 7.5 21 13 A 5 ARG CA A 27 ALA CB 1.0 2.5 7.5 22 14 A 5 ARG CA A 27 ALA CA 1.0 2.5 7.5 23 15 A 4 CYS CB A 27 ALA CA 1.0 2.5 7.5 24 16 A 5 ARG CA A 27 ALA CB 1.0 2.5 7.5 25 17 A 21 TYR CB A 25 LEU CA 1.0 2.5 7.5 26 17 A 21 TYR CB A 24 ARG CA 1.0 2.5 7.5 27 18 A 5 ARG CA A 8 ALA CA 1.0 2.5 7.5 28 19 A 30 CYS CA A 13 GLU CB 1.0 2.5 7.5 29 20 A 9 CYS CB A 29 CYS CB 1.0 2.5 7.5 30 21 A 5 ARG CA A 8 ALA CB 1.0 2.5 7.5 31 22 A 12 GLY CA A 30 CYS CA 1.0 2.5 7.5 32 22 A 12 GLY CA A 22 GLN CA 1.0 2.5 7.5 33 22 A 12 GLY CA A 15 ARG CA 1.0 2.5 7.5 34 22 A 5 ARG CA A 12 GLY CA 1.0 2.5 7.5 35 23 A 5 ARG CA A 7 PRO CD 1.0 2.5 7.5 36 24 A 5 ARG CA A 10 ILE CA 1.0 2.5 7.5 37 25 A 5 ARG CA A 7 PRO CA 1.0 2.5 7.5 38 26 A 3 TYR CA A 29 CYS CB 1.0 2.5 7.5 39 27 A 5 ARG CB A 7 PRO CB 1.0 2.5 7.5 40 28 A 5 ARG CA A 7 PRO CG 1.0 2.5 7.5 41 29 A 4 CYS CB A 29 CYS CB 1.0 2.5 7.5 42 29 A 4 CYS CB A 28 PHE CB 1.0 2.5 7.5 43 30 A 29 CYS CA A 9 CYS CB 1.0 2.5 7.5 44 31 A 18 THR CA A 29 CYS CA 1.0 2.5 7.5 45 31 A 20 ILE CA A 29 CYS CA 1.0 2.5 7.5 46 31 A 20 ILE CA A 26 TRP CA 1.0 2.5 7.5 47 31 A 18 THR CA A 26 TRP CA 1.0 2.5 7.5 48 32 A 30 CYS CA A 2 CYS CB 1.0 2.5 7.5 49 33 A 3 TYR CB A 29 CYS CB 1.0 2.5 7.5 50 34 A 5 ARG CB A 27 ALA CA 1.0 2.5 7.5 51 35 A 15 ARG CA A 13 GLU CG 1.0 2.5 7.5 52 36 A 29 CYS CA A 8 ALA CB 1.0 2.5 7.5 53 37 A 5 ARG CA A 26 TRP CB 1.0 2.5 7.5 54 38 A 27 ALA CB A 29 CYS CB 1.0 2.5 7.5 55 38 A 16 TYR CB A 27 ALA CB 1.0 2.5 7.5 56 39 A 30 CYS CA A 13 GLU CG 1.0 2.5 7.5 57 40 A 13 GLU CG A 29 CYS CB 1.0 2.5 7.5 58 40 A 13 GLU CG A 27 ALA CB 1.0 2.5 7.5 59 40 A 13 GLU CG A 14 ARG CD 1.0 2.5 7.5 60 41 A 14 ARG CB A 28 PHE CB 1.0 2.5 7.5 61 42 A 18 THR CB A 26 TRP CB 1.0 2.5 7.5 62 42 A 8 ALA CB A 26 TRP CB 1.0 2.5 7.5 63 43 A 15 ARG CG A 26 TRP CA 1.0 2.5 7.5 64 43 A 5 ARG CG A 26 TRP CA 1.0 2.5 7.5 65 44 A 9 CYS CA A 29 CYS CB 1.0 2.5 7.5 66 45 A 21 TYR CB A 25 LEU CB 1.0 2.5 7.5 67 45 A 21 TYR CB A 24 ARG CD 1.0 2.5 7.5 68 46 A 19 CYS CA A 4 CYS CB 1.0 2.5 7.5 69 47 A 9 CYS CA A 29 CYS CB 1.0 2.5 7.5 70 48 A 15 ARG CB A 27 ALA CA 1.0 2.5 7.5 71 49 A 27 ALA CB A 29 CYS CB 1.0 2.5 7.5 72 49 A 16 TYR CB A 27 ALA CB 1.0 2.5 7.5 73 50 A 15 ARG CD A 27 ALA CB 1.0 2.5 7.5 74 50 A 5 ARG CD A 27 ALA CB 1.0 2.5 7.5 75 51 A 25 LEU CB A 27 ALA CB 1.0 2.5 7.5 76 52 A 6 ILE CD1 A 27 ALA CB 1.0 2.5 7.5 77 53 A 8 ALA CA A 29 CYS CB 1.0 2.5 7.5 78 53 A 8 ALA CA A 16 TYR CB 1.0 2.5 7.5 79 53 A 8 ALA CA A 10 ILE CB 1.0 2.5 7.5 80 54 A 6 ILE CB A 8 ALA CB 1.0 2.5 7.5 81 55 A 8 ALA CA A 29 CYS CA 1.0 2.5 7.5 82 55 A 8 ALA CA A 25 LEU CA 1.0 2.5 7.5 83 55 A 8 ALA CA A 24 ARG CA 1.0 2.5 7.5 84 56 A 6 ILE CD1 A 8 ALA CB 1.0 2.5 7.5 85 57 A 5 ARG CB A 7 PRO CG 1.0 2.5 7.5 86 58 A 2 CYS CA A 30 CYS CA 1.0 2.5 7.5 87 59 A 2 CYS CA A 4 CYS CB 1.0 2.5 7.5 88 60 A 30 CYS CA A 2 CYS CB 1.0 2.5 7.5 89 60 A 3 TYR CA A 2 CYS CB 1.0 2.5 7.5 90 61 A 20 ILE CA A 25 LEU CB 1.0 2.5 7.5 91 61 A 20 ILE CA A 24 ARG CD 1.0 2.5 7.5 92 62 A 21 TYR CA A 25 LEU CB 1.0 2.5 7.5 93 62 A 21 TYR CA A 24 ARG CD 1.0 2.5 7.5 94 63 A 17 GLY CA A 28 PHE CB 1.0 2.5 7.5 95 63 A 17 GLY CA A 15 ARG CB 1.0 2.5 7.5 96 64 A 2 CYS CB A 4 CYS CB 1.0 2.5 7.5 97 65 A 4 CYS CA A 30 CYS CA 1.0 2.5 7.5 98 65 A 3 TYR CA A 4 CYS CA 1.0 2.5 7.5 99 66 A 5 ARG CA A 21 TYR CB 1.0 2.5 7.5 100 66 A 5 ARG CA A 10 ILE CB 1.0 2.5 7.5 101 67 A 4 CYS CB A 21 TYR CB 1.0 2.5 7.5 102 67 A 4 CYS CB A 10 ILE CB 1.0 2.5 7.5 103 68 A 23 GLY CA A 21 TYR CB 1.0 2.5 7.5 104 69 A 19 CYS CB A 21 TYR CB 1.0 2.5 7.5 105 70 A 4 CYS CA A 19 CYS CA 1.0 2.5 7.5 106 71 A 5 ARG CB A 19 CYS CB 1.0 2.5 7.5 107 71 A 4 CYS CB A 5 ARG CB 1.0 2.5 7.5 108 72 A 5 ARG CB A 18 THR CB 1.0 2.5 7.5 109 73 A 12 GLY CA A 9 CYS CB 1.0 2.5 7.5 110 73 A 4 CYS CB A 9 CYS CB 1.0 2.5 7.5 111 74 A 19 CYS CB A 21 TYR CB 1.0 2.5 7.5 112 75 A 19 CYS CA A 26 TRP CB 1.0 2.5 7.5 113 76 A 15 ARG CG A 18 THR CB 1.0 2.5 7.5 114 76 A 5 ARG CG A 18 THR CB 1.0 2.5 7.5 115 77 A 4 CYS CB A 19 CYS CB 1.0 2.5 7.5 116 78 A 3 TYR CB A 29 CYS CB 1.0 2.5 7.5 117 79 A 15 ARG CD A 27 ALA CA 1.0 2.5 7.5 118 79 A 5 ARG CD A 27 ALA CA 1.0 2.5 7.5 119 80 A 20 ILE CD1 A 25 LEU CA 1.0 2.5 7.5 120 81 A 20 ILE CD1 A 25 LEU CG 1.0 2.5 7.5 121 82 A 21 TYR CB A 25 LEU CB 1.0 2.5 7.5 122 82 A 21 TYR CB A 24 ARG CD 1.0 2.5 7.5 123 83 A 15 ARG CD A 27 ALA CB 1.0 2.5 7.5 124 83 A 5 ARG CD A 27 ALA CB 1.0 2.5 7.5 125 84 A 1 ALA CB A 29 CYS CB 1.0 2.5 7.5 126 84 A 1 ALA CB A 3 TYR CB 1.0 2.5 7.5 127 85 A 21 TYR CA A 24 ARG CA 1.0 2.5 7.5 128 86 A 29 CYS CA A 3 TYR CB 1.0 2.5 7.5 129 87 A 5 ARG CB A 29 CYS CB 1.0 2.5 7.5 130 87 A 3 TYR CB A 5 ARG CB 1.0 2.5 7.5 131 88 A 9 CYS CA A 29 CYS CA 1.0 2.5 7.5 132 89 A 4 CYS CB A 29 CYS CB 1.0 2.5 7.5 133 90 A 29 CYS CA A 3 TYR CB 1.0 2.5 7.5 134 91 A 15 ARG CD A 27 ALA CA 1.0 2.5 7.5 135 92 A 3 TYR CB A 29 CYS CB 1.0 2.5 7.5 136 93 A 29 CYS CA A 15 ARG CG 1.0 2.5 7.5 137 93 A 29 CYS CA A 5 ARG CG 1.0 2.5 7.5 138 94 A 21 TYR CB A 25 LEU CB 1.0 2.5 7.5 139 94 A 21 TYR CB A 24 ARG CD 1.0 2.5 7.5 140 95 A 7 PRO CA A 10 ILE CA 1.0 2.5 7.5 141 96 A 21 TYR CA A 25 LEU CA 1.0 2.5 7.5 142 96 A 21 TYR CA A 22 GLN CA 1.0 2.5 7.5 143 97 A 20 ILE CG2 A 25 LEU CB 1.0 2.5 7.5 144 98 A 5 ARG CB A 27 ALA CA 1.0 2.5 7.5 145 99 A 5 ARG CB A 19 CYS CB 1.0 2.5 7.5 146 99 A 4 CYS CB A 5 ARG CB 1.0 2.5 7.5 147 100 A 9 CYS CA A 30 CYS CA 1.0 2.5 7.5 148 100 A 9 CYS CA A 22 GLN CA 1.0 2.5 7.5 149 100 A 9 CYS CA A 15 ARG CA 1.0 2.5 7.5 150 100 A 5 ARG CA A 9 CYS CA 1.0 2.5 7.5 151 101 A 30 CYS CA A 13 GLU CG 1.0 2.5 7.5 152 102 A 30 CYS CA A 13 GLU CB 1.0 2.5 7.5 153 103 A 5 ARG CB A 26 TRP CA 1.0 2.5 7.5 154 104 A 26 TRP CB A 28 PHE CB 1.0 2.5 7.5 155 105 A 15 ARG CG A 26 TRP CB 1.0 2.5 7.5 156 105 A 5 ARG CG A 26 TRP CB 1.0 2.5 7.5 157 106 A 15 ARG CA A 26 TRP CB 1.0 2.5 7.5 158 107 A 5 ARG CB A 26 TRP CB 1.0 2.5 7.5 159 108 A 5 ARG CG A 27 ALA CA 1.0 2.5 7.5 160 109 A 15 ARG CG A 27 ALA CA 1.0 2.5 7.5 161 109 A 5 ARG CG A 27 ALA CA 1.0 2.5 7.5 162 110 A 5 ARG CB A 27 ALA CB 1.0 2.5 7.5 163 111 A 21 TYR CB A 25 LEU CB 1.0 2.5 7.5 164 111 A 21 TYR CB A 24 ARG CG 1.0 2.5 7.5 165 112 A 25 LEU CB A 27 ALA CB 1.0 2.5 7.5 166 113 A 16 TYR CA A 25 LEU CB 1.0 2.5 7.5 167 113 A 6 ILE CA A 25 LEU CB 1.0 2.5 7.5 168 114 A 20 ILE CG1 A 25 LEU CB 1.0 2.5 7.5 169 115 A 5 ARG CB A 7 PRO CB 1.0 2.5 7.5 170 116 A 5 ARG CA A 7 PRO CG 1.0 2.5 7.5 171 117 A 6 ILE CA A 8 ALA CB 1.0 2.5 7.5 172 118 A 6 ILE CB A 8 ALA CB 1.0 2.5 7.5 173 119 A 30 CYS CA A 9 CYS CB 1.0 2.5 7.5 174 119 A 5 ARG CA A 9 CYS CB 1.0 2.5 7.5 175 120 A 1 ALA CA A 30 CYS CA 1.0 2.5 7.5 176 121 A 8 ALA CB A 11 ALA CB 1.0 2.5 7.5 177 121 A 8 ALA CB A 10 ILE CG2 1.0 2.5 7.5 178 121 A 8 ALA CB A 6 ILE CG2 1.0 2.5 7.5 179 122 A 15 ARG CD A 27 ALA CB 1.0 2.5 7.5 180 123 A 27 ALA CB A 29 CYS CB 1.0 2.5 7.5 181 123 A 16 TYR CB A 27 ALA CB 1.0 2.5 7.5 182 124 A 28 PHE CB A 26 TRP CD2 1.0 2.5 7.5 183 125 A 9 CYS CB A 11 ALA CB 1.0 2.5 7.5 184 126 A 15 ARG CG A 27 ALA CB 1.0 2.5 7.5 185 127 A 20 ILE CG2 A 25 LEU CDx 1.0 2.5 7.5 186 128 A 14 ARG CB A 27 ALA CB 1.0 2.5 7.5 187 128 A 7 PRO CB A 27 ALA CB 1.0 2.5 7.5 188 129 A 8 ALA CB A 10 ILE CG2 1.0 2.5 7.5 189 129 A 8 ALA CB A 6 ILE CG2 1.0 2.5 7.5 190 130 A 5 ARG CA A 10 ILE CD1 1.0 2.5 7.5 191 131 A 6 ILE CB A 10 ILE CG1 1.0 2.5 7.5 192 131 A 5 ARG CD A 10 ILE CG1 1.0 2.5 7.5 193 132 A 8 ALA CB A 9 CYS CB 1.0 2.5 7.5 194 132 A 5 ARG CB A 8 ALA CB 1.0 2.5 7.5 195 133 A 7 PRO CD A 10 ILE CD1 1.0 2.5 7.5 196 134 A 18 THR CG2 A 20 ILE CD1 1.0 2.5 7.5 197 135 A 6 ILE CD1 A 26 TRP CA 1.0 2.5 7.5 198 136 A 8 ALA CA A 6 ILE CD1 1.0 2.5 7.5 199 137 A 6 ILE CD1 A 26 TRP CA 1.0 2.5 7.5 200 137 A 4 CYS CA A 6 ILE CD1 1.0 2.5 7.5 201 138 A 20 ILE CB A 25 LEU CG 1.0 2.5 7.5 202 138 A 20 ILE CB A 24 ARG CG 1.0 2.5 7.5 203 139 A 20 ILE CB A 25 LEU CA 1.0 2.5 7.5 204 139 A 20 ILE CB A 24 ARG CA 1.0 2.5 7.5 205 140 A 6 ILE CG1 A 26 TRP CA 1.0 2.5 7.5 206 140 A 6 ILE CG1 A 25 LEU CA 1.0 2.5 7.5 207 140 A 11 ALA CA A 6 ILE CG1 1.0 2.5 7.5 stop_ save_ save_CNS/XPLOR_dihedral_5 _nef_dihedral_restraint_list.sf_category nef_dihedral_restraint_list _nef_dihedral_restraint_list.sf_framecode CNS/XPLOR_dihedral_5 _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 ALA C A 2 CYS N A 2 CYS CA A 2 CYS C 1.0 -161.0 -101.0 PHI 2 2 A 2 CYS C A 3 TYR N A 3 TYR CA A 3 TYR C 1.0 -153.2 -93.2 PHI 3 3 A 3 TYR C A 4 CYS N A 4 CYS CA A 4 CYS C 1.0 -149.7 -89.7 PHI 4 4 A 4 CYS C A 5 ARG N A 5 ARG CA A 5 ARG C 1.0 -161.9 -101.9 PHI 5 5 A 5 ARG C A 6 ILE N A 6 ILE CA A 6 ILE C 1.0 -165.0 -105.0 PHI 6 6 A 6 ILE C A 7 PRO N A 7 PRO CA A 7 PRO C 1.0 -218.9 -51.1 PHI 7 7 A 7 PRO C A 8 ALA N A 8 ALA CA A 8 ALA C 1.0 -171.1 -111.1 PHI 8 8 A 8 ALA C A 9 CYS N A 9 CYS CA A 9 CYS C 1.0 -199.7 -54.5 PHI 9 9 A 9 CYS C A 10 ILE N A 10 ILE CA A 10 ILE C 1.0 -170.4 -70.4 PHI 10 10 A 10 ILE C A 11 ALA N A 11 ALA CA A 11 ALA C 1.0 -101.8 -41.8 PHI 11 11 A 11 ALA C A 12 GLY N A 12 GLY CA A 12 GLY C 1.0 53.2 113.2 PHI 12 12 A 12 GLY C A 13 GLU N A 13 GLU CA A 13 GLU C 1.0 -162.1 -102.1 PHI 13 13 A 13 GLU C A 14 ARG N A 14 ARG CA A 14 ARG C 1.0 -164.0 -104.0 PHI 14 14 A 14 ARG C A 15 ARG N A 15 ARG CA A 15 ARG C 1.0 -129.0 -69.0 PHI 15 15 A 15 ARG C A 16 TYR N A 16 TYR CA A 16 TYR C 1.0 -146.2 -86.2 PHI 16 16 A 16 TYR C A 17 GLY N A 17 GLY CA A 17 GLY C 1.0 -205.8 -35.4 PHI 17 17 A 17 GLY C A 18 THR N A 18 THR CA A 18 THR C 1.0 -139.5 -79.5 PHI 18 18 A 18 THR C A 19 CYS N A 19 CYS CA A 19 CYS C 1.0 -161.6 -101.6 PHI 19 19 A 19 CYS C A 20 ILE N A 20 ILE CA A 20 ILE C 1.0 -128.8 -68.8 PHI 20 20 A 20 ILE C A 21 TYR N A 21 TYR CA A 21 TYR C 1.0 -186.7 -32.1 PHI 21 21 A 21 TYR C A 22 GLN N A 22 GLN CA A 22 GLN C 1.0 20.8 80.8 PHI 22 22 A 22 GLN C A 23 GLY N A 23 GLY CA A 23 GLY C 1.0 49.3 109.3 PHI 23 23 A 23 GLY C A 24 ARG N A 24 ARG CA A 24 ARG C 1.0 -153.2 -93.2 PHI 24 24 A 24 ARG C A 25 LEU N A 25 LEU CA A 25 LEU C 1.0 -137.6 -77.6 PHI 25 25 A 25 LEU C A 26 TRP N A 26 TRP CA A 26 TRP C 1.0 -136.0 -76.0 PHI 26 26 A 26 TRP C A 27 ALA N A 27 ALA CA A 27 ALA C 1.0 -119.8 -59.8 PHI 27 27 A 27 ALA C A 28 PHE N A 28 PHE CA A 28 PHE C 1.0 -141.7 -81.7 PHI 28 28 A 28 PHE C A 29 CYS N A 29 CYS CA A 29 CYS C 1.0 -156.1 -96.1 PHI 29 29 A 2 CYS N A 2 CYS CA A 2 CYS C A 3 TYR N 1.0 124.9 184.9 PSI 30 30 A 3 TYR N A 3 TYR CA A 3 TYR C A 4 CYS N 1.0 71.1 188.5 PSI 31 31 A 4 CYS N A 4 CYS CA A 4 CYS C A 5 ARG N 1.0 112.7 172.7 PSI 32 32 A 5 ARG N A 5 ARG CA A 5 ARG C A 6 ILE N 1.0 111.6 171.6 PSI 33 33 A 6 ILE N A 6 ILE CA A 6 ILE C A 7 PRO N 1.0 117.7 177.7 PSI 34 34 A 7 PRO N A 7 PRO CA A 7 PRO C A 8 ALA N 1.0 -35.6 324.4 PSI 35 35 A 8 ALA N A 8 ALA CA A 8 ALA C A 9 CYS N 1.0 110.7 192.5 PSI 36 36 A 13 GLU N A 13 GLU CA A 13 GLU C A 14 ARG N 1.0 122.3 182.3 PSI 37 37 A 14 ARG N A 14 ARG CA A 14 ARG C A 15 ARG N 1.0 117.2 177.2 PSI 38 38 A 15 ARG N A 15 ARG CA A 15 ARG C A 16 TYR N 1.0 94.2 154.2 PSI 39 39 A 16 TYR N A 16 TYR CA A 16 TYR C A 17 GLY N 1.0 -36.8 323.2 PSI 40 40 A 17 GLY N A 17 GLY CA A 17 GLY C A 18 THR N 1.0 -45.1 314.9 PSI 41 41 A 18 THR N A 18 THR CA A 18 THR C A 19 CYS N 1.0 103.8 163.8 PSI 42 42 A 19 CYS N A 19 CYS CA A 19 CYS C A 20 ILE N 1.0 119.1 179.1 PSI 43 43 A 20 ILE N A 20 ILE CA A 20 ILE C A 21 TYR N 1.0 97.5 157.5 PSI 44 44 A 21 TYR N A 21 TYR CA A 21 TYR C A 22 GLN N 1.0 86.6 146.6 PSI 45 45 A 22 GLN N A 22 GLN CA A 22 GLN C A 23 GLY N 1.0 13.0 73.0 PSI 46 46 A 23 GLY N A 23 GLY CA A 23 GLY C A 24 ARG N 1.0 -26.7 33.3 PSI 47 47 A 24 ARG N A 24 ARG CA A 24 ARG C A 25 LEU N 1.0 121.4 181.4 PSI 48 48 A 25 LEU N A 25 LEU CA A 25 LEU C A 26 TRP N 1.0 101.4 161.4 PSI 49 49 A 26 TRP N A 26 TRP CA A 26 TRP C A 27 ALA N 1.0 109.2 169.2 PSI 50 50 A 27 ALA N A 27 ALA CA A 27 ALA C A 28 PHE N 1.0 95.9 155.9 PSI 51 51 A 28 PHE N A 28 PHE CA A 28 PHE C A 29 CYS N 1.0 104.7 164.7 PSI 52 52 A 29 CYS N A 29 CYS CA A 29 CYS C A 30 CYS N 1.0 124.4 184.4 PSI stop_ save_