data_nef_c15069_2i2h 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 18 ALA N 1 19 NH2 N 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 SER start . . 2 A 2 GLY middle . false 3 A 3 THR middle . . 4 A 4 LEU middle . . 5 A 5 SER middle . . 6 A 6 THR middle . . 7 A 7 PHE middle . . 8 A 8 PHE middle . . 9 A 9 ARG middle . . 10 A 10 LEU middle . . 11 A 11 PHE middle . . 12 A 12 ASN middle . . 13 A 13 ARG middle . . 14 A 14 SER middle . . 15 A 15 PHE middle . . 16 A 16 THR middle . . 17 A 17 GLN middle . . 18 A 18 ALA middle . . 19 A 19 NH2 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 2 GLY H H 1 7.748 0.000 A 2 GLY HAx H 1 3.825 0.002 A 2 GLY HAy H 1 4.135 0.001 A 3 THR H H 1 7.775 0.002 A 3 THR HA H 1 4.290 0.004 A 3 THR HB H 1 4.045 0.004 A 3 THR HG2% H 1 1.288 0.004 A 4 LEU H H 1 7.831 0.003 A 4 LEU HA H 1 4.322 0.009 A 4 LEU HBx H 1 1.712 0.005 A 4 LEU HBy H 1 1.741 0.005 A 4 LEU HD1% H 1 1.010 0.005 A 4 LEU HD2% H 1 0.951 0.004 A 5 SER H H 1 7.602 0.003 A 5 SER HA H 1 4.367 0.005 A 5 SER HBx H 1 3.959 0.003 A 5 SER HBy H 1 3.991 0.003 A 6 THR H H 1 7.773 0.003 A 6 THR HA H 1 4.283 0.006 A 6 THR HB H 1 3.984 0.002 A 6 THR HG2% H 1 1.285 0.005 A 7 PHE H H 1 7.953 0.005 A 7 PHE HA H 1 4.285 0.004 A 7 PHE HB2 H 1 3.243 0.008 A 7 PHE HB3 H 1 3.243 0.008 A 7 PHE HD1 H 1 7.116 0.004 A 7 PHE HD2 H 1 7.116 0.004 A 7 PHE HE1 H 1 7.195 0.002 A 7 PHE HE2 H 1 7.195 0.002 A 8 PHE H H 1 8.429 0.003 A 8 PHE HA H 1 4.281 0.002 A 8 PHE HB2 H 1 3.289 0.005 A 8 PHE HB3 H 1 3.289 0.005 A 8 PHE HD1 H 1 7.274 0.003 A 8 PHE HD2 H 1 7.274 0.003 A 8 PHE HE1 H 1 7.362 0.003 A 8 PHE HE2 H 1 7.362 0.003 A 9 ARG H H 1 8.049 0.003 A 9 ARG HA H 1 4.108 0.002 A 9 ARG HBx H 1 1.998 0.009 A 9 ARG HBy H 1 2.129 0.004 A 9 ARG HD2 H 1 3.263 0.005 A 9 ARG HD3 H 1 3.263 0.005 A 9 ARG HG2 H 1 1.770 0.005 A 9 ARG HG3 H 1 1.770 0.005 A 10 LEU H H 1 8.256 0.002 A 10 LEU HA H 1 4.120 0.007 A 10 LEU HBx H 1 1.802 0.007 A 10 LEU HBy H 1 1.868 0.006 A 10 LEU HD1% H 1 0.872 0.004 A 10 LEU HD2% H 1 0.905 0.005 A 10 LEU HG H 1 1.514 0.003 A 11 PHE H H 1 8.930 0.004 A 11 PHE HA H 1 4.143 0.004 A 11 PHE HBx H 1 2.789 0.006 A 11 PHE HBy H 1 2.935 0.003 A 11 PHE HD1 H 1 7.102 0.004 A 11 PHE HD2 H 1 7.102 0.004 A 11 PHE HE1 H 1 7.246 0.007 A 11 PHE HE2 H 1 7.246 0.007 A 12 ASN H H 1 8.043 0.005 A 12 ASN HA H 1 4.492 0.004 A 12 ASN HBy H 1 2.735 0.003 A 12 ASN HBx H 1 2.674 0.009 A 13 ARG H H 1 8.108 0.005 A 13 ARG HA H 1 4.135 0.003 A 13 ARG HBx H 1 1.946 0.004 A 13 ARG HBy H 1 1.985 0.009 A 13 ARG HG2 H 1 1.738 0.002 A 13 ARG HG3 H 1 1.738 0.002 A 14 SER H H 1 7.913 0.004 A 14 SER HA H 1 4.177 0.004 A 14 SER HBx H 1 3.713 0.005 A 14 SER HBy H 1 3.792 0.007 A 15 PHE H H 1 7.713 0.004 A 15 PHE HA H 1 4.561 0.005 A 15 PHE HBx H 1 2.910 0.005 A 15 PHE HBy H 1 3.105 0.003 A 15 PHE HD1 H 1 7.141 0.002 A 15 PHE HD2 H 1 7.141 0.002 A 15 PHE HE1 H 1 7.202 0.003 A 15 PHE HE2 H 1 7.202 0.003 A 16 THR H H 1 7.670 0.006 A 16 THR HA H 1 4.407 0.006 A 16 THR HB H 1 4.377 0.009 A 16 THR HG2% H 1 1.276 0.003 A 17 GLN H H 1 7.716 0.005 A 17 GLN HA H 1 4.130 0.004 A 17 GLN HBx H 1 1.721 0.002 A 17 GLN HBy H 1 1.965 0.002 A 17 GLN HGx H 1 3.142 0.001 A 17 GLN HGy H 1 3.189 0.001 A 18 ALA H H 1 7.671 0.006 A 18 ALA HA H 1 4.457 0.000 A 18 ALA HB% H 1 1.408 0.004 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 2 GLY HAy A 2 GLY H 1.0 4.25 5.85 2 2 A 2 GLY H A 2 GLY HAx 1.0 4.25 5.85 3 3 A 2 GLY HAy A 2 GLY HAx 1.0 1.70 2.50 4 4 A 3 THR HA A 3 THR H 1.0 2.00 3.25 5 5 A 3 THR H A 3 THR HB 1.0 2.90 4.25 6 6 A 3 THR H A 3 THR HG2% 1.0 3.07 4.55 7 7 A 3 THR HA A 3 THR HB 1.0 1.70 2.50 8 8 A 3 THR HA A 3 THR HG2% 1.0 1.85 2.87 9 9 A 3 THR HB A 3 THR HG2% 1.0 3.25 4.85 10 10 A 4 LEU H A 4 LEU HA 1.0 2.40 3.75 11 11 A 4 LEU H A 4 LEU HBx 1.0 2.90 4.25 12 12 A 4 LEU HA A 4 LEU HBy 1.0 2.40 3.75 13 13 A 4 LEU HA A 4 LEU HBx 1.0 2.00 3.25 14 14 A 4 LEU HA A 4 LEU HD1% 1.0 3.07 4.55 15 15 A 4 LEU HA A 4 LEU HD2% 1.0 2.90 4.25 16 16 A 4 LEU HBy A 4 LEU HD1% 1.0 2.90 4.25 17 17 A 4 LEU HBy A 4 LEU HD2% 1.0 2.90 4.25 18 18 A 4 LEU HBx A 4 LEU HD1% 1.0 2.00 3.25 19 19 A 4 LEU HBx A 4 LEU HD2% 1.0 2.20 3.50 20 20 A 4 LEU HD1% A 4 LEU HD2% 1.0 1.70 2.20 21 21 A 5 SER H A 5 SER HA 1.0 2.90 4.25 22 22 A 5 SER H A 5 SER HBy 1.0 4.25 5.85 23 23 A 5 SER H A 5 SER HBx 1.0 4.25 5.85 24 24 A 5 SER HA A 5 SER HBy 1.0 2.40 3.75 25 25 A 5 SER HA A 5 SER HBx 1.0 2.00 3.25 26 26 A 6 THR H A 6 THR HA 1.0 2.00 3.25 27 27 A 6 THR H A 6 THR HB 1.0 2.20 3.50 28 28 A 6 THR H A 6 THR HG2% 1.0 4.25 5.85 29 29 A 6 THR HA A 6 THR HB 1.0 2.00 3.25 30 30 A 6 THR HA A 6 THR HG2% 1.0 2.90 4.25 31 31 A 6 THR HB A 6 THR HG2% 1.0 1.85 2.87 32 32 A 7 PHE H A 7 PHE HA 1.0 1.70 2.50 33 33 A 7 PHE H A 7 PHE HB2 1.0 1.85 2.87 34 33 A 7 PHE H A 7 PHE HB3 1.0 1.85 2.87 35 34 A 7 PHE H A 7 PHE HD% 1.0 3.25 4.85 36 35 A 7 PHE H A 7 PHE HE% 1.0 4.25 5.85 37 36 A 7 PHE HA A 7 PHE HB2 1.0 1.70 2.50 38 36 A 7 PHE HA A 7 PHE HB3 1.0 1.70 2.50 39 37 A 7 PHE HA A 7 PHE HD% 1.0 2.00 3.25 40 38 A 7 PHE HA A 7 PHE HE% 1.0 4.25 5.85 41 39 A 7 PHE HD% A 7 PHE HB2 1.0 2.00 3.25 42 39 A 7 PHE HB3 A 7 PHE HD% 1.0 2.00 3.25 43 40 A 7 PHE HE% A 7 PHE HB2 1.0 3.25 4.85 44 40 A 7 PHE HB3 A 7 PHE HE% 1.0 3.25 4.85 45 41 A 7 PHE HD% A 7 PHE HE% 1.0 1.85 2.72 46 42 A 8 PHE H A 8 PHE HA 1.0 2.00 3.25 47 43 A 8 PHE H A 8 PHE HB2 1.0 1.85 2.87 48 43 A 8 PHE H A 8 PHE HB3 1.0 1.85 2.87 49 44 A 8 PHE H A 8 PHE HD% 1.0 3.25 4.85 50 45 A 8 PHE HA A 8 PHE HB2 1.0 1.70 2.35 51 45 A 8 PHE HA A 8 PHE HB3 1.0 1.70 2.35 52 46 A 8 PHE HA A 8 PHE HD% 1.0 2.00 3.25 53 47 A 8 PHE HD% A 8 PHE HB2 1.0 2.00 3.25 54 47 A 8 PHE HB3 A 8 PHE HD% 1.0 2.00 3.25 55 48 A 8 PHE HE% A 8 PHE HB2 1.0 4.25 5.85 56 48 A 8 PHE HB3 A 8 PHE HE% 1.0 4.25 5.85 57 49 A 8 PHE HD% A 8 PHE HE% 1.0 1.85 2.87 58 50 A 9 ARG H A 9 ARG HA 1.0 2.40 3.75 59 51 A 9 ARG H A 9 ARG HBy 1.0 2.90 4.25 60 52 A 9 ARG H A 9 ARG HBx 1.0 2.40 3.75 61 53 A 9 ARG H A 9 ARG HG2 1.0 3.25 4.85 62 53 A 9 ARG H A 9 ARG HG3 1.0 3.25 4.85 63 54 A 9 ARG H A 9 ARG HD2 1.0 3.25 4.85 64 54 A 9 ARG H A 9 ARG HD3 1.0 3.25 4.85 65 55 A 9 ARG HA A 9 ARG HBy 1.0 2.40 3.75 66 56 A 9 ARG HA A 9 ARG HBx 1.0 2.00 3.25 67 57 A 9 ARG HA A 9 ARG HG2 1.0 2.65 4.00 68 57 A 9 ARG HA A 9 ARG HG3 1.0 2.65 4.00 69 58 A 9 ARG HA A 9 ARG HD2 1.0 2.40 3.75 70 58 A 9 ARG HA A 9 ARG HD3 1.0 2.40 3.75 71 59 A 9 ARG HBy A 9 ARG HD2 1.0 2.40 3.75 72 59 A 9 ARG HBy A 9 ARG HD3 1.0 2.40 3.75 73 60 A 9 ARG HBx A 9 ARG HG2 1.0 2.00 3.25 74 60 A 9 ARG HBx A 9 ARG HG3 1.0 2.00 3.25 75 61 A 9 ARG HBx A 9 ARG HD2 1.0 2.00 3.25 76 61 A 9 ARG HBx A 9 ARG HD3 1.0 2.00 3.25 77 62 A 9 ARG HD3 A 9 ARG HG2 1.0 2.00 3.25 78 62 A 9 ARG HD2 A 9 ARG HG2 1.0 2.00 3.25 79 62 A 9 ARG HG3 A 9 ARG HD2 1.0 2.00 3.25 80 62 A 9 ARG HG3 A 9 ARG HD3 1.0 2.00 3.25 81 63 A 10 LEU H A 10 LEU HA 1.0 2.65 4.00 82 64 A 10 LEU H A 10 LEU HBy 1.0 3.07 4.55 83 65 A 10 LEU H A 10 LEU HBx 1.0 3.07 4.55 84 66 A 10 LEU H A 10 LEU HG 1.0 3.07 4.55 85 67 A 10 LEU H A 10 LEU HD1% 1.0 3.25 4.85 86 68 A 10 LEU H A 10 LEU HD2% 1.0 3.25 4.85 87 69 A 10 LEU HA A 10 LEU HBy 1.0 2.40 3.75 88 70 A 10 LEU HA A 10 LEU HBx 1.0 2.90 4.25 89 71 A 10 LEU HA A 10 LEU HG 1.0 2.40 3.75 90 72 A 10 LEU HA A 10 LEU HD1% 1.0 2.00 3.25 91 73 A 10 LEU HA A 10 LEU HD2% 1.0 2.40 3.75 92 74 A 10 LEU HBy A 10 LEU HG 1.0 3.07 4.55 93 75 A 10 LEU HBy A 10 LEU HD1% 1.0 2.90 4.25 94 76 A 10 LEU HBy A 10 LEU HD2% 1.0 2.65 4.00 95 77 A 10 LEU HBx A 10 LEU HG 1.0 2.40 3.75 96 78 A 10 LEU HBx A 10 LEU HD1% 1.0 4.25 5.85 97 79 A 10 LEU HBx A 10 LEU HD2% 1.0 2.90 4.25 98 80 A 10 LEU HG A 10 LEU HD1% 1.0 2.25 3.85 99 81 A 10 LEU HG A 10 LEU HD2% 1.0 3.07 4.55 100 82 A 11 PHE H A 11 PHE HA 1.0 2.40 3.75 101 83 A 11 PHE H A 11 PHE HBy 1.0 2.40 3.75 102 84 A 11 PHE H A 11 PHE HBx 1.0 2.90 4.25 103 85 A 11 PHE H A 11 PHE HD% 1.0 3.07 4.55 104 86 A 11 PHE H A 11 PHE HE% 1.0 4.25 5.85 105 87 A 11 PHE HA A 11 PHE HBy 1.0 2.20 3.50 106 88 A 11 PHE HA A 11 PHE HBx 1.0 2.40 3.75 107 89 A 11 PHE HA A 11 PHE HD% 1.0 2.40 3.75 108 90 A 11 PHE HA A 11 PHE HE% 1.0 4.25 5.85 109 91 A 11 PHE HBy A 11 PHE HBx 1.0 2.00 3.25 110 92 A 11 PHE HBy A 11 PHE HD% 1.0 2.40 3.75 111 93 A 11 PHE HBy A 11 PHE HE% 1.0 4.25 5.85 112 94 A 11 PHE HBx A 11 PHE HD% 1.0 2.65 4.00 113 95 A 11 PHE HBx A 11 PHE HE% 1.0 4.25 5.85 114 96 A 11 PHE HD% A 11 PHE HE% 1.0 2.65 4.00 115 97 A 12 ASN H A 12 ASN HA 1.0 2.65 4.00 116 98 A 12 ASN H A 12 ASN HBx 1.0 2.90 4.25 117 99 A 12 ASN H A 12 ASN HBy 1.0 3.07 4.55 118 100 A 12 ASN HA A 12 ASN HBx 1.0 2.40 3.75 119 101 A 12 ASN HA A 12 ASN HBy 1.0 2.20 3.50 120 102 A 13 ARG HA A 13 ARG H 1.0 4.25 5.85 121 103 A 13 ARG H A 13 ARG HBy 1.0 4.25 5.85 122 104 A 13 ARG H A 13 ARG HBx 1.0 4.25 5.85 123 105 A 13 ARG HA A 13 ARG HBx 1.0 4.25 5.85 124 106 A 13 ARG HA A 13 ARG HG2 1.0 3.25 4.85 125 106 A 13 ARG HA A 13 ARG HG3 1.0 3.25 4.85 126 107 A 14 SER H A 14 SER HA 1.0 3.25 4.85 127 108 A 14 SER H A 14 SER HBy 1.0 4.25 5.85 128 109 A 14 SER H A 14 SER HBx 1.0 3.25 4.85 129 110 A 14 SER HA A 14 SER HBy 1.0 2.00 3.25 130 111 A 14 SER HA A 14 SER HBx 1.0 2.00 3.25 131 112 A 15 PHE H A 15 PHE HA 1.0 2.90 4.25 132 113 A 15 PHE H A 15 PHE HBy 1.0 3.07 4.55 133 114 A 15 PHE H A 15 PHE HBx 1.0 3.25 4.85 134 115 A 15 PHE H A 15 PHE HD% 1.0 3.25 4.85 135 116 A 15 PHE HA A 15 PHE HBy 1.0 2.40 3.75 136 117 A 15 PHE HA A 15 PHE HBx 1.0 2.20 3.50 137 118 A 15 PHE HA A 15 PHE HD% 1.0 2.90 4.25 138 119 A 15 PHE HA A 15 PHE HE% 1.0 4.25 5.85 139 120 A 15 PHE HBy A 15 PHE HBx 1.0 1.70 2.50 140 121 A 15 PHE HBy A 15 PHE HD% 1.0 2.90 4.25 141 122 A 15 PHE HBy A 15 PHE HE% 1.0 4.25 5.85 142 123 A 15 PHE HBx A 15 PHE HD% 1.0 2.90 4.25 143 124 A 15 PHE HBx A 15 PHE HE% 1.0 4.25 5.85 144 125 A 15 PHE HD% A 15 PHE HE% 1.0 1.70 2.35 145 126 A 16 THR H A 16 THR HA 1.0 2.40 3.75 146 127 A 16 THR H A 16 THR HB 1.0 3.25 4.85 147 128 A 16 THR H A 16 THR HG2% 1.0 3.07 4.55 148 129 A 16 THR HA A 16 THR HG2% 1.0 1.70 2.35 149 130 A 16 THR HB A 16 THR HG2% 1.0 1.70 2.50 150 131 A 17 GLN H A 17 GLN HA 1.0 4.25 5.85 151 132 A 17 GLN HA A 17 GLN HBy 1.0 2.00 3.25 152 133 A 17 GLN HA A 17 GLN HBx 1.0 1.70 2.50 153 134 A 17 GLN HA A 17 GLN HGy 1.0 2.90 4.25 154 135 A 17 GLN HA A 17 GLN HGx 1.0 2.90 4.25 155 136 A 17 GLN HBy A 17 GLN HGy 1.0 2.40 3.75 156 137 A 17 GLN HBy A 17 GLN HGx 1.0 2.40 3.75 157 138 A 17 GLN HBx A 17 GLN HGy 1.0 2.65 4.00 158 139 A 17 GLN HBx A 17 GLN HGx 1.0 2.90 4.25 159 140 A 18 ALA HA A 18 ALA HB% 1.0 1.85 2.87 160 141 A 3 THR HA A 4 LEU H 1.0 3.40 3.80 161 142 A 3 THR HA A 4 LEU HBx 1.0 3.25 4.85 162 143 A 3 THR HB A 4 LEU HBx 1.0 4.00 5.60 163 144 A 3 THR HA A 4 LEU HD1% 1.0 4.00 5.60 164 145 A 3 THR HA A 4 LEU HD2% 1.0 4.00 5.60 165 146 A 4 LEU HA A 5 SER H 1.0 3.40 3.80 166 147 A 4 LEU HBy A 5 SER H 1.0 3.25 4.85 167 148 A 4 LEU HBx A 5 SER H 1.0 2.40 3.75 168 149 A 4 LEU HD1% A 5 SER H 1.0 4.00 5.60 169 150 A 4 LEU HD2% A 5 SER H 1.0 4.00 5.60 170 151 A 4 LEU H A 5 SER H 1.0 2.50 3.10 171 152 A 4 LEU HA A 7 PHE HB2 1.0 2.20 3.50 172 152 A 4 LEU HA A 7 PHE HB3 1.0 2.20 3.50 173 153 A 4 LEU HBx A 7 PHE H 1.0 4.00 5.60 174 154 A 4 LEU HBx A 7 PHE HD% 1.0 4.00 5.60 175 155 A 4 LEU HD1% A 7 PHE HB2 1.0 4.00 5.60 176 155 A 4 LEU HD1% A 7 PHE HB3 1.0 4.00 5.60 177 156 A 4 LEU HD1% A 7 PHE HD% 1.0 4.00 5.60 178 157 A 4 LEU HD2% A 7 PHE HB2 1.0 4.00 5.60 179 157 A 4 LEU HD2% A 7 PHE HB3 1.0 4.00 5.60 180 158 A 4 LEU HD1% A 8 PHE HD% 1.0 4.00 5.60 181 159 A 4 LEU HD1% A 8 PHE HE% 1.0 4.00 5.60 182 160 A 4 LEU H A 5 SER HBx 1.0 4.00 5.60 183 161 A 5 SER HA A 6 THR H 1.0 3.40 3.80 184 162 A 5 SER H A 6 THR H 1.0 2.50 3.10 185 163 A 6 THR HB A 7 PHE H 1.0 3.25 4.85 186 164 A 6 THR HG2% A 7 PHE H 1.0 2.90 4.25 187 165 A 6 THR H A 7 PHE HB2 1.0 3.25 4.85 188 165 A 6 THR H A 7 PHE HB3 1.0 3.25 4.85 189 166 A 6 THR HB A 9 ARG H 1.0 3.25 4.85 190 167 A 6 THR HB A 9 ARG HBy 1.0 4.00 5.60 191 168 A 6 THR HB A 9 ARG HBx 1.0 3.07 4.55 192 169 A 6 THR HB A 9 ARG HG2 1.0 4.00 5.60 193 169 A 6 THR HB A 9 ARG HG3 1.0 4.00 5.60 194 170 A 6 THR HB A 9 ARG HD2 1.0 2.90 4.25 195 170 A 6 THR HB A 9 ARG HD3 1.0 2.90 4.25 196 171 A 6 THR HG2% A 9 ARG H 1.0 4.00 5.60 197 172 A 6 THR HG2% A 9 ARG HBx 1.0 4.00 5.60 198 173 A 6 THR HG2% A 9 ARG HD2 1.0 4.00 5.60 199 173 A 6 THR HG2% A 9 ARG HD3 1.0 4.00 5.60 200 174 A 6 THR H A 9 ARG H 1.0 4.50 5.00 201 175 A 6 THR HB A 10 LEU H 1.0 3.63 5.23 202 176 A 6 THR HG2% A 10 LEU H 1.0 4.00 5.60 203 177 A 6 THR HG2% A 10 LEU HBy 1.0 3.63 5.23 204 178 A 6 THR HG2% A 10 LEU HG 1.0 4.00 5.60 205 179 A 6 THR HG2% A 10 LEU HD2% 1.0 2.65 4.00 206 180 A 4 LEU H A 7 PHE HB2 1.0 4.00 5.60 207 180 A 4 LEU H A 7 PHE HB3 1.0 4.00 5.60 208 181 A 4 LEU HA A 7 PHE HD% 1.0 3.25 4.85 209 182 A 4 LEU HD2% A 7 PHE HD% 1.0 4.00 5.60 210 183 A 4 LEU H A 7 PHE H 1.0 4.45 5.05 211 184 A 4 LEU HD2% A 7 PHE H 1.0 4.00 5.60 212 185 A 6 THR H A 7 PHE H 1.0 2.50 3.10 213 186 A 7 PHE HA A 8 PHE HE% 1.0 4.00 5.60 214 187 A 7 PHE HA A 8 PHE H 1.0 3.40 3.80 215 188 A 8 PHE H A 7 PHE HB2 1.0 2.90 4.25 216 188 A 7 PHE HB3 A 8 PHE H 1.0 2.90 4.25 217 189 A 7 PHE HD% A 8 PHE H 1.0 3.63 5.23 218 190 A 7 PHE H A 8 PHE H 1.0 2.50 3.10 219 191 A 7 PHE H A 8 PHE HB2 1.0 4.00 5.60 220 191 A 7 PHE H A 8 PHE HB3 1.0 4.00 5.60 221 192 A 7 PHE H A 9 ARG H 1.0 4.20 4.70 222 193 A 7 PHE HA A 10 LEU HA 1.0 5.20 6.00 223 194 A 7 PHE HA A 10 LEU HBy 1.0 4.00 5.60 224 195 A 7 PHE HA A 10 LEU HBx 1.0 4.00 5.60 225 196 A 7 PHE HA A 10 LEU HG 1.0 3.63 5.23 226 197 A 7 PHE HA A 10 LEU HD1% 1.0 4.00 5.60 227 198 A 7 PHE HA A 10 LEU HD2% 1.0 2.90 4.25 228 199 A 7 PHE HA A 10 LEU H 1.0 3.40 3.80 229 200 A 7 PHE HD% A 10 LEU HD1% 1.0 4.00 5.60 230 201 A 7 PHE HD% A 10 LEU HD2% 1.0 4.00 5.60 231 202 A 11 PHE H A 7 PHE HB2 1.0 4.00 5.60 232 202 A 7 PHE HB3 A 11 PHE H 1.0 4.00 5.60 233 203 A 4 LEU H A 8 PHE HB2 1.0 4.00 5.60 234 203 A 4 LEU H A 8 PHE HB3 1.0 4.00 5.60 235 204 A 4 LEU H A 8 PHE H 1.0 5.45 6.05 236 205 A 5 SER HBx A 8 PHE H 1.0 4.00 5.60 237 206 A 7 PHE HA A 8 PHE HD% 1.0 2.00 3.25 238 207 A 7 PHE H A 8 PHE HD% 1.0 4.00 5.60 239 208 A 8 PHE HD% A 7 PHE HB2 1.0 4.00 5.60 240 208 A 7 PHE HB3 A 8 PHE HD% 1.0 4.00 5.60 241 209 A 8 PHE HA A 9 ARG HBy 1.0 4.00 5.60 242 210 A 8 PHE HA A 9 ARG HBx 1.0 4.00 5.60 243 211 A 8 PHE HA A 9 ARG H 1.0 3.40 3.80 244 212 A 9 ARG H A 8 PHE HB2 1.0 3.07 4.55 245 212 A 8 PHE HB3 A 9 ARG H 1.0 3.07 4.55 246 213 A 8 PHE HD% A 9 ARG HA 1.0 4.00 5.60 247 214 A 8 PHE HD% A 9 ARG H 1.0 4.00 5.60 248 215 A 8 PHE HD% A 9 ARG HBx 1.0 4.00 5.60 249 216 A 8 PHE HD% A 9 ARG HG2 1.0 4.00 5.60 250 216 A 8 PHE HD% A 9 ARG HG3 1.0 4.00 5.60 251 217 A 8 PHE H A 9 ARG H 1.0 2.50 3.10 252 218 A 8 PHE H A 9 ARG HBx 1.0 4.00 5.60 253 219 A 8 PHE HA A 11 PHE HBy 1.0 3.07 4.55 254 220 A 8 PHE HA A 11 PHE HBx 1.0 2.90 4.25 255 221 A 8 PHE HA A 11 PHE H 1.0 3.40 3.80 256 222 A 11 PHE H A 8 PHE HB2 1.0 4.00 5.60 257 222 A 8 PHE HB3 A 11 PHE H 1.0 4.00 5.60 258 223 A 11 PHE H A 8 PHE HB2 1.0 4.00 5.60 259 223 A 8 PHE HB3 A 11 PHE H 1.0 4.00 5.60 260 224 A 6 THR HA A 9 ARG HBx 1.0 4.00 5.60 261 225 A 6 THR HA A 9 ARG HBx 1.0 2.50 4.10 262 226 A 8 PHE H A 9 ARG HBy 1.0 4.00 5.60 263 227 A 8 PHE HD% A 9 ARG HD2 1.0 4.00 5.60 264 227 A 8 PHE HD% A 9 ARG HD3 1.0 4.00 5.60 265 228 A 9 ARG HA A 10 LEU H 1.0 3.40 3.80 266 229 A 9 ARG HBy A 10 LEU H 1.0 4.00 5.60 267 230 A 9 ARG HBx A 10 LEU H 1.0 3.25 4.85 268 231 A 10 LEU H A 9 ARG HD2 1.0 4.00 5.60 269 231 A 9 ARG HD3 A 10 LEU H 1.0 4.00 5.60 270 232 A 10 LEU H A 9 ARG HG2 1.0 4.00 5.60 271 232 A 9 ARG HG3 A 10 LEU H 1.0 4.00 5.60 272 233 A 9 ARG H A 10 LEU H 1.0 2.50 3.10 273 234 A 9 ARG HA A 12 ASN HBx 1.0 3.63 5.23 274 235 A 9 ARG HA A 12 ASN HBy 1.0 4.00 5.60 275 236 A 6 THR HA A 10 LEU H 1.0 3.90 4.30 276 237 A 7 PHE H A 10 LEU HD2% 1.0 4.00 5.60 277 238 A 9 ARG H A 10 LEU HBy 1.0 4.00 5.60 278 239 A 9 ARG H A 10 LEU HBx 1.0 4.00 5.60 279 240 A 9 ARG H A 10 LEU HD2% 1.0 4.00 5.60 280 241 A 10 LEU HA A 11 PHE H 1.0 3.40 3.80 281 242 A 10 LEU HBx A 11 PHE H 1.0 4.00 5.60 282 243 A 10 LEU HG A 11 PHE H 1.0 3.63 5.23 283 244 A 10 LEU H A 11 PHE H 1.0 2.50 3.10 284 245 A 10 LEU H A 11 PHE HBx 1.0 4.00 5.60 285 246 A 10 LEU HA A 11 PHE HD% 1.0 4.00 5.60 286 247 A 10 LEU H A 11 PHE HD% 1.0 4.00 5.60 287 248 A 11 PHE HA A 12 ASN H 1.0 3.40 3.80 288 249 A 11 PHE HBx A 12 ASN H 1.0 3.25 4.85 289 250 A 11 PHE HD% A 12 ASN HA 1.0 3.63 5.23 290 251 A 11 PHE H A 12 ASN H 1.0 2.50 3.10 291 252 A 11 PHE HBy A 12 ASN H 1.0 3.25 4.85 292 253 A 12 ASN HA A 13 ARG HA 1.0 4.60 5.20 293 254 A 12 ASN H A 13 ARG H 1.0 2.50 3.10 294 255 A 12 ASN HA A 15 PHE HBy 1.0 4.00 5.60 295 256 A 12 ASN HA A 15 PHE HBx 1.0 4.00 5.60 296 257 A 12 ASN HA A 15 PHE HD% 1.0 3.63 5.23 297 258 A 12 ASN HA A 15 PHE HE% 1.0 4.00 5.60 298 259 A 12 ASN HA A 15 PHE H 1.0 3.40 3.80 299 260 A 12 ASN HA A 16 THR H 1.0 3.90 4.30 300 261 A 13 ARG HA A 14 SER H 1.0 3.40 3.80 301 262 A 13 ARG HBy A 14 SER H 1.0 4.00 5.60 302 263 A 13 ARG HBx A 14 SER H 1.0 4.00 5.60 303 264 A 14 SER H A 13 ARG HG2 1.0 4.00 5.60 304 264 A 13 ARG HG3 A 14 SER H 1.0 4.00 5.60 305 265 A 13 ARG HA A 16 THR H 1.0 3.40 3.80 306 266 A 13 ARG H A 14 SER H 1.0 2.40 3.20 307 267 A 14 SER HA A 15 PHE H 1.0 3.40 3.80 308 268 A 14 SER HBy A 15 PHE H 1.0 4.00 5.60 309 269 A 14 SER HBx A 15 PHE H 1.0 4.00 5.60 310 270 A 14 SER H A 15 PHE H 1.0 2.40 3.20 311 271 A 15 PHE HA A 16 THR H 1.0 3.40 3.80 312 272 A 15 PHE HBy A 16 THR H 1.0 4.00 5.60 313 273 A 15 PHE HBy A 16 THR HG2% 1.0 4.00 5.60 314 274 A 15 PHE HBx A 16 THR HA 1.0 4.00 5.60 315 275 A 15 PHE HBx A 16 THR H 1.0 4.00 5.60 316 276 A 15 PHE HBx A 16 THR HG2% 1.0 4.00 5.60 317 277 A 15 PHE HD% A 16 THR H 1.0 4.00 5.60 318 278 A 15 PHE HD% A 16 THR HG2% 1.0 4.00 5.60 319 279 A 12 ASN HA A 16 THR HG2% 1.0 4.00 5.60 320 280 A 15 PHE HA A 16 THR HA 1.0 4.60 5.20 321 281 A 15 PHE HD% A 16 THR HA 1.0 4.00 5.60 322 282 A 15 PHE HA A 16 THR HG2% 1.0 4.00 5.60 323 283 A 15 PHE HE% A 16 THR HG2% 1.0 4.00 5.60 324 284 A 15 PHE H A 16 THR H 1.0 2.40 3.20 325 285 A 16 THR HA A 17 GLN H 1.0 3.40 3.80 326 286 A 16 THR HG2% A 17 GLN HA 1.0 3.63 5.23 327 287 A 16 THR HG2% A 17 GLN H 1.0 4.00 5.60 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 hbond _nef_distance_restraint_list.potential_type square-well-parabolic loop_ _nef_distance_restraint.index _nef_distance_restraint.restraint_id _nef_distance_restraint.chain_code_1 _nef_distance_restraint.sequence_code_1 _nef_distance_restraint.residue_name_1 _nef_distance_restraint.atom_name_1 _nef_distance_restraint.chain_code_2 _nef_distance_restraint.sequence_code_2 _nef_distance_restraint.residue_name_2 _nef_distance_restraint.atom_name_2 _nef_distance_restraint.weight _nef_distance_restraint.lower_limit _nef_distance_restraint.upper_limit 1 1 A 8 PHE H A 4 LEU O 1.0 1.3 2.0 2 2 A 9 ARG H A 5 SER O 1.0 1.3 2.0 3 3 A 10 LEU H A 6 THR O 1.0 1.3 2.0 4 4 A 11 PHE H A 7 PHE O 1.0 1.3 2.0 5 5 A 12 ASN H A 8 PHE O 1.0 1.3 2.0 6 6 A 13 ARG H A 9 ARG O 1.0 1.3 2.0 7 7 A 14 SER H A 10 LEU O 1.0 1.3 2.0 8 8 A 15 PHE H A 11 PHE O 1.0 1.3 2.0 9 9 A 16 THR H A 12 ASN O 1.0 1.3 2.0 stop_ save_ save_CNS/XPLOR_dihedral_4 _nef_dihedral_restraint_list.sf_category nef_dihedral_restraint_list _nef_dihedral_restraint_list.sf_framecode CNS/XPLOR_dihedral_4 _nef_dihedral_restraint_list.potential_type square-well-parabolic _nef_dihedral_restraint_list.restraint_origin . loop_ _nef_dihedral_restraint.index _nef_dihedral_restraint.restraint_id _nef_dihedral_restraint.chain_code_1 _nef_dihedral_restraint.sequence_code_1 _nef_dihedral_restraint.residue_name_1 _nef_dihedral_restraint.atom_name_1 _nef_dihedral_restraint.chain_code_2 _nef_dihedral_restraint.sequence_code_2 _nef_dihedral_restraint.residue_name_2 _nef_dihedral_restraint.atom_name_2 _nef_dihedral_restraint.chain_code_3 _nef_dihedral_restraint.sequence_code_3 _nef_dihedral_restraint.residue_name_3 _nef_dihedral_restraint.atom_name_3 _nef_dihedral_restraint.chain_code_4 _nef_dihedral_restraint.sequence_code_4 _nef_dihedral_restraint.residue_name_4 _nef_dihedral_restraint.atom_name_4 _nef_dihedral_restraint.weight _nef_dihedral_restraint.lower_limit _nef_dihedral_restraint.upper_limit _nef_dihedral_restraint.name 1 1 A 5 SER C A 6 THR N A 6 THR CA A 6 THR C 1.0 -90.0 -30.0 PHI 2 2 A 6 THR C A 7 PHE N A 7 PHE CA A 7 PHE C 1.0 -90.0 -30.0 PHI 3 3 A 7 PHE C A 8 PHE N A 8 PHE CA A 8 PHE C 1.0 -90.0 -30.0 PHI 4 4 A 8 PHE C A 9 ARG N A 9 ARG CA A 9 ARG C 1.0 -90.0 -30.0 PHI 5 5 A 9 ARG C A 10 LEU N A 10 LEU CA A 10 LEU C 1.0 -90.0 -30.0 PHI 6 6 A 10 LEU C A 11 PHE N A 11 PHE CA A 11 PHE C 1.0 -90.0 -30.0 PHI 7 7 A 11 PHE C A 12 ASN N A 12 ASN CA A 12 ASN C 1.0 -90.0 -30.0 PHI 8 8 A 12 ASN C A 13 ARG N A 13 ARG CA A 13 ARG C 1.0 -90.0 -30.0 PHI 9 9 A 13 ARG C A 14 SER N A 14 SER CA A 14 SER C 1.0 -90.0 -30.0 PHI 10 10 A 14 SER C A 15 PHE N A 15 PHE CA A 15 PHE C 1.0 -90.0 -30.0 PHI stop_ save_