data_nef_c16907_2kxa 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 GLY start . false 2 A 2 LEU middle . . 3 A 3 PHE middle . . 4 A 4 GLY middle . false 5 A 5 ALA middle . . 6 A 6 ILE middle . . 7 A 7 ALA middle . . 8 A 8 GLY middle . false 9 A 9 PHE middle . . 10 A 10 ILE middle . . 11 A 11 GLU middle . . 12 A 12 GLY middle . false 13 A 13 GLY middle . false 14 A 14 TRP middle . . 15 A 15 THR middle . . 16 A 16 GLY middle . false 17 A 17 MET middle . . 18 A 18 ILE middle . . 19 A 19 ASP middle . . 20 A 20 GLY middle . false 21 A 21 TRP middle . . 22 A 22 TYR middle . . 23 A 23 GLY middle . false 24 A 24 SER middle . . 25 A 25 GLY middle . false 26 A 26 LYS middle . . 27 A 27 LYS middle . . 28 A 28 LYS middle . . 29 A 29 LYS middle . . 30 A 30 ASP 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 GLY HAx H 1 3.177 . A 1 GLY HAy H 1 3.897 . A 1 GLY CA C 13 43.529 . A 2 LEU HA H 1 4.248 . A 2 LEU HBy H 1 1.844 . A 2 LEU HBx H 1 1.757 . A 2 LEU HDx% H 1 1.032 . A 2 LEU HDy% H 1 0.938 . A 2 LEU HG H 1 1.617 . A 2 LEU C C 13 177.626 . A 2 LEU CA C 13 59.413 . A 2 LEU CB C 13 42.557 . A 2 LEU CDx C 13 24.068 . A 2 LEU CDy C 13 26.109 . A 2 LEU CG C 13 27.452 . A 3 PHE H H 1 9.005 . A 3 PHE HA H 1 4.247 . A 3 PHE HBx H 1 3.181 . A 3 PHE HBy H 1 3.181 . A 3 PHE HDx H 1 7.291 . A 3 PHE HDy H 1 7.291 . A 3 PHE HEx H 1 7.314 . A 3 PHE HEy H 1 7.314 . A 3 PHE HZ H 1 7.252 . A 3 PHE C C 13 179.193 . A 3 PHE CA C 13 61.694 . A 3 PHE CB C 13 37.754 . A 3 PHE N N 15 117.641 . A 4 GLY H H 1 8.778 . A 4 GLY HAx H 1 3.824 . A 4 GLY HAy H 1 3.824 . A 4 GLY C C 13 177.492 . A 4 GLY CA C 13 46.540 . A 4 GLY N N 15 107.331 . A 5 ALA H H 1 8.536 . A 5 ALA HA H 1 4.676 . A 5 ALA HB% H 1 1.727 . A 5 ALA C C 13 179.009 . A 5 ALA CA C 13 55.069 . A 5 ALA CB C 13 19.562 . A 5 ALA N N 15 126.443 . A 6 ILE H H 1 7.964 . A 6 ILE HA H 1 3.671 . A 6 ILE HB H 1 1.942 . A 6 ILE HD1% H 1 0.823 . A 6 ILE HG1y H 1 1.924 . A 6 ILE HG1x H 1 1.053 . A 6 ILE HG2% H 1 0.936 . A 6 ILE C C 13 177.540 . A 6 ILE CA C 13 65.540 . A 6 ILE CB C 13 38.075 . A 6 ILE CD1 C 13 13.555 . A 6 ILE CG1 C 13 28.980 . A 6 ILE CG2 C 13 17.608 . A 6 ILE N N 15 118.760 . A 7 ALA H H 1 8.306 . A 7 ALA HA H 1 3.954 . A 7 ALA HB% H 1 1.373 . A 7 ALA C C 13 180.359 . A 7 ALA CA C 13 55.326 . A 7 ALA CB C 13 18.171 . A 7 ALA N N 15 120.472 . A 8 GLY H H 1 8.333 . A 8 GLY HAx H 1 3.784 . A 8 GLY HAy H 1 3.784 . A 8 GLY C C 13 175.888 . A 8 GLY CA C 13 46.334 . A 8 GLY N N 15 105.737 . A 9 PHE H H 1 8.306 . A 9 PHE HA H 1 4.638 . A 9 PHE HBy H 1 3.196 . A 9 PHE HBx H 1 3.164 . A 9 PHE HDx H 1 6.981 . A 9 PHE HDy H 1 6.981 . A 9 PHE HEx H 1 6.981 . A 9 PHE HEy H 1 6.981 . A 9 PHE HZ H 1 6.981 . A 9 PHE C C 13 178.532 . A 9 PHE CA C 13 60.374 . A 9 PHE CB C 13 39.45 . A 9 PHE N N 15 123.393 . A 10 ILE H H 1 7.879 . A 10 ILE HA H 1 3.451 . A 10 ILE HB H 1 2.036 . A 10 ILE HD1% H 1 0.928 . A 10 ILE HG1y H 1 1.981 . A 10 ILE HG1x H 1 1.237 . A 10 ILE HG2% H 1 0.958 . A 10 ILE C C 13 176.952 . A 10 ILE CA C 13 65.122 . A 10 ILE CB C 13 37.966 . A 10 ILE CD1 C 13 13.789 . A 10 ILE CG1 C 13 29.636 . A 10 ILE CG2 C 13 17.504 . A 10 ILE N N 15 119.279 . A 11 GLU H H 1 7.788 . A 11 GLU HA H 1 4.179 . A 11 GLU HBx H 1 2.021 . A 11 GLU HBy H 1 2.021 . A 11 GLU HGy H 1 2.300 . A 11 GLU HGx H 1 2.215 . A 11 GLU C C 13 178.407 . A 11 GLU CA C 13 58.337 . A 11 GLU CB C 13 30.953 . A 11 GLU CG C 13 36.384 . A 11 GLU N N 15 115.573 . A 12 GLY H H 1 8.469 . A 12 GLY HAy H 1 4.564 . A 12 GLY HAx H 1 3.653 . A 12 GLY C C 13 175.927 . A 12 GLY CA C 13 45.883 . A 12 GLY N N 15 105.522 . A 13 GLY H H 1 8.385 . A 13 GLY HAx H 1 3.054 . A 13 GLY HAy H 1 4.026 . A 13 GLY C C 13 174.068 . A 13 GLY CA C 13 45.325 . A 13 GLY N N 15 112.314 . A 14 TRP H H 1 9.095 . A 14 TRP HA H 1 4.430 . A 14 TRP HBy H 1 3.520 . A 14 TRP HBx H 1 3.426 . A 14 TRP HD1 H 1 7.362 . A 14 TRP HE1 H 1 10.743 . A 14 TRP HE3 H 1 7.610 . A 14 TRP HH2 H 1 6.998 . A 14 TRP HZ2 H 1 7.485 . A 14 TRP HZ3 H 1 6.897 . A 14 TRP C C 13 177.620 . A 14 TRP CA C 13 61.345 . A 14 TRP CB C 13 29.891 . A 14 TRP N N 15 124.653 . A 14 TRP NE1 N 15 130.639 . A 15 THR H H 1 8.616 . A 15 THR HA H 1 3.947 . A 15 THR HB H 1 4.207 . A 15 THR HG2% H 1 1.332 . A 15 THR C C 13 176.832 . A 15 THR CA C 13 66.218 . A 15 THR CB C 13 68.526 . A 15 THR CG2 C 13 22.157 . A 15 THR N N 15 110.877 . A 16 GLY H H 1 7.225 . A 16 GLY HAy H 1 3.868 . A 16 GLY HAx H 1 3.631 . A 16 GLY C C 13 177.020 . A 16 GLY CA C 13 46.744 . A 16 GLY N N 15 108.970 . A 17 MET H H 1 8.520 . A 17 MET HA H 1 4.579 . A 17 MET HBy H 1 2.648 . A 17 MET HBx H 1 2.114 . A 17 MET HGy H 1 2.500 . A 17 MET HGx H 1 2.157 . A 17 MET C C 13 177.611 . A 17 MET CA C 13 58.632 . A 17 MET CB C 13 34.056 . A 17 MET CG C 13 31.721 . A 17 MET N N 15 125.013 . A 18 ILE H H 1 7.857 . A 18 ILE HA H 1 3.656 . A 18 ILE HB H 1 2.041 . A 18 ILE HD1% H 1 0.674 . A 18 ILE HG1y H 1 1.523 . A 18 ILE HG1x H 1 1.070 . A 18 ILE HG2% H 1 1.144 . A 18 ILE C C 13 178.075 . A 18 ILE CA C 13 64.513 . A 18 ILE CB C 13 37.425 . A 18 ILE CD1 C 13 12.168 . A 18 ILE CG1 C 13 28.392 . A 18 ILE CG2 C 13 18.051 . A 18 ILE N N 15 119.813 . A 19 ASP H H 1 8.041 . A 19 ASP HA H 1 4.589 . A 19 ASP HBy H 1 2.708 . A 19 ASP HBx H 1 2.622 . A 19 ASP C C 13 179.897 . A 19 ASP CA C 13 57.407 . A 19 ASP CB C 13 40.484 . A 19 ASP N N 15 118.945 . A 20 GLY H H 1 8.352 . A 20 GLY HAy H 1 3.817 . A 20 GLY HAx H 1 3.701 . A 20 GLY C C 13 176.088 . A 20 GLY CA C 13 45.965 . A 20 GLY N N 15 107.496 . A 21 TRP H H 1 8.587 . A 21 TRP HA H 1 4.465 . A 21 TRP HBy H 1 3.304 . A 21 TRP HBx H 1 3.138 . A 21 TRP HD1 H 1 5.472 . A 21 TRP HE1 H 1 10.374 . A 21 TRP HE3 H 1 7.168 . A 21 TRP HH2 H 1 6.988 . A 21 TRP HZ2 H 1 7.407 . A 21 TRP HZ3 H 1 6.721 . A 21 TRP C C 13 177.123 . A 21 TRP CA C 13 59.817 . A 21 TRP CB C 13 29.747 . A 21 TRP N N 15 123.763 . A 21 TRP NE1 N 15 129.889 . A 22 TYR H H 1 7.767 . A 22 TYR HA H 1 4.127 . A 22 TYR HBy H 1 3.234 . A 22 TYR HBx H 1 2.946 . A 22 TYR HDx H 1 7.436 . A 22 TYR HDy H 1 7.436 . A 22 TYR HEx H 1 6.991 . A 22 TYR HEy H 1 6.991 . A 22 TYR C C 13 177.574 . A 22 TYR CA C 13 60.633 . A 22 TYR CB C 13 38.926 . A 22 TYR N N 15 113.074 . A 23 GLY H H 1 8.074 . A 23 GLY HAy H 1 4.067 . A 23 GLY HAx H 1 3.998 . A 23 GLY CA C 13 46.040 . A 23 GLY N N 15 108.785 . A 24 SER HA H 1 4.461 . A 24 SER HBy H 1 3.923 . A 24 SER HBx H 1 3.823 . A 24 SER CA C 13 63.835 . A 24 SER CB C 13 63.857 . stop_ save_ save_CNS/XPLOR_distance_constraints_6 _nef_distance_restraint_list.sf_category nef_distance_restraint_list _nef_distance_restraint_list.sf_framecode CNS/XPLOR_distance_constraints_6 _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 3 PHE H A 3 PHE HA 1.0 2.21 3.31 2 1 A 2 LEU HA A 3 PHE H 1.0 2.21 3.31 3 2 A 3 PHE HA A 4 GLY H 1.0 2.24 4.48 4 2 A 2 LEU HA A 4 GLY H 1.0 2.24 4.48 5 3 A 3 PHE H A 4 GLY H 1.0 1.83 3.66 6 4 A 3 PHE H A 4 GLY HAx 1.0 3.40 5.10 7 4 A 3 PHE H A 4 GLY HAy 1.0 3.40 5.10 8 5 A 4 GLY H A 4 GLY HAx 1.0 1.33 2.66 9 5 A 4 GLY H A 4 GLY HAy 1.0 1.33 2.66 10 6 A 5 ALA H A 4 GLY HAx 1.0 1.98 2.96 11 6 A 4 GLY HAy A 5 ALA H 1.0 1.98 2.96 12 7 A 4 GLY H A 5 ALA H 1.0 2.16 3.24 13 8 A 5 ALA H A 6 ILE H 1.0 2.14 3.22 14 9 A 6 ILE H A 6 ILE HA 1.0 2.28 3.42 15 10 A 6 ILE HA A 7 ALA H 1.0 2.78 4.18 16 11 A 6 ILE H A 7 ALA H 1.0 2.08 3.12 17 12 A 6 ILE H A 7 ALA HA 1.0 4.03 6.05 18 13 A 7 ALA H A 7 ALA HA 1.0 2.09 3.13 19 14 A 7 ALA HA A 8 GLY H 1.0 2.70 4.04 20 15 A 8 GLY H A 8 GLY HAx 1.0 1.67 2.51 21 15 A 8 GLY H A 8 GLY HAy 1.0 1.67 2.51 22 16 A 9 PHE H A 8 GLY HAx 1.0 2.30 3.44 23 16 A 8 GLY HAy A 9 PHE H 1.0 2.30 3.44 24 17 A 8 GLY H A 9 PHE HA 1.0 3.53 6.57 25 18 A 9 PHE H A 9 PHE HA 1.0 1.97 4.59 26 19 A 9 PHE H A 10 ILE H 1.0 2.19 3.29 27 20 A 10 ILE H A 10 ILE HA 1.0 2.22 3.34 28 21 A 10 ILE HA A 11 GLU H 1.0 2.65 3.97 29 22 A 10 ILE H A 11 GLU H 1.0 1.98 2.98 30 23 A 11 GLU H A 11 GLU HA 1.0 2.00 3.00 31 24 A 11 GLU HA A 12 GLY H 1.0 2.77 4.15 32 25 A 11 GLU H A 12 GLY H 1.0 2.05 3.07 33 26 A 12 GLY H A 12 GLY HAx 1.0 2.01 3.01 34 27 A 12 GLY H A 12 GLY HAy 1.0 2.30 3.46 35 28 A 12 GLY HAx A 13 GLY H 1.0 2.70 4.38 36 29 A 12 GLY HAy A 13 GLY H 1.0 2.85 4.27 37 30 A 12 GLY H A 13 GLY H 1.0 1.80 2.70 38 31 A 12 GLY H A 13 GLY HAy 1.0 3.83 5.75 39 32 A 12 GLY H A 13 GLY HAx 1.0 3.51 5.27 40 33 A 13 GLY H A 13 GLY HAy 1.0 1.99 2.99 41 34 A 13 GLY H A 13 GLY HAx 1.0 1.82 2.74 42 35 A 14 TRP H A 13 GLY HAy 1.0 1.71 3.42 43 36 A 14 TRP H A 13 GLY HAx 1.0 1.87 3.74 44 37 A 14 TRP H A 14 TRP HA 1.0 2.07 4.14 45 38 A 14 TRP HA A 15 THR H 1.0 2.72 4.08 46 39 A 13 GLY H A 14 TRP H 1.0 3.20 4.80 47 40 A 14 TRP H A 15 THR H 1.0 2.56 3.84 48 41 A 15 THR H A 15 THR HA 1.0 2.01 3.01 49 42 A 15 THR HA A 16 GLY H 1.0 2.62 3.94 50 43 A 15 THR H A 16 GLY H 1.0 2.14 3.20 51 44 A 15 THR H A 16 GLY HAx 1.0 3.26 4.90 52 45 A 15 THR H A 16 GLY HAy 1.0 3.65 5.47 53 46 A 16 GLY H A 16 GLY HAx 1.0 1.90 2.84 54 47 A 16 GLY H A 16 GLY HAy 1.0 2.05 3.07 55 48 A 17 MET H A 16 GLY HAx 1.0 2.51 3.77 56 49 A 17 MET H A 16 GLY HAy 1.0 2.72 4.08 57 50 A 16 GLY H A 17 MET H 1.0 2.14 3.20 58 51 A 20 GLY H A 19 ASP HA 1.0 2.52 3.78 59 51 A 17 MET HA A 20 GLY H 1.0 2.52 3.78 60 52 A 17 MET H A 17 MET HA 1.0 2.49 3.73 61 53 A 17 MET HA A 18 ILE H 1.0 3.07 4.61 62 54 A 17 MET H A 18 ILE H 1.0 2.37 3.55 63 55 A 21 TRP H A 20 GLY HAy 1.0 2.10 3.16 64 55 A 21 TRP H A 20 GLY HAx 1.0 2.10 3.16 65 55 A 18 ILE HA A 21 TRP H 1.0 2.10 3.16 66 56 A 18 ILE H A 18 ILE HA 1.0 2.26 3.38 67 57 A 18 ILE HA A 19 ASP H 1.0 2.54 3.80 68 58 A 18 ILE H A 19 ASP H 1.0 2.10 3.14 69 59 A 19 ASP HA A 19 ASP H 1.0 2.07 3.11 70 60 A 20 GLY H A 19 ASP H 1.0 2.10 3.14 71 61 A 20 GLY H A 20 GLY HAy 1.0 1.57 2.35 72 61 A 20 GLY H A 20 GLY HAx 1.0 1.57 2.35 73 62 A 20 GLY H A 21 TRP H 1.0 2.17 3.25 74 63 A 21 TRP H A 21 TRP HA 1.0 2.27 3.41 75 64 A 21 TRP HA A 22 TYR H 1.0 2.98 4.46 76 65 A 21 TRP H A 22 TYR H 1.0 2.26 3.38 77 66 A 22 TYR H A 22 TYR HA 1.0 2.33 3.49 78 67 A 22 TYR H A 23 GLY H 1.0 2.13 3.19 79 68 A 23 GLY H A 23 GLY HAy 1.0 1.51 2.27 80 68 A 23 GLY H A 23 GLY HAx 1.0 1.51 2.27 81 69 A 3 PHE H A 2 LEU HBy 1.0 1.99 3.33 82 69 A 3 PHE H A 2 LEU HBx 1.0 1.99 3.33 83 70 A 3 PHE H A 2 LEU HDy% 1.0 2.74 4.56 84 70 A 3 PHE H A 2 LEU HDx% 1.0 2.74 4.56 85 71 A 3 PHE H A 2 LEU HG 1.0 3.15 5.25 86 72 A 3 PHE H A 3 PHE HBx 1.0 1.69 2.83 87 72 A 3 PHE H A 3 PHE HBy 1.0 1.69 2.83 88 73 A 4 GLY H A 3 PHE HBx 1.0 1.43 3.59 89 73 A 4 GLY H A 3 PHE HBy 1.0 1.43 3.59 90 74 A 4 GLY H A 5 ALA HB% 1.0 2.42 6.05 91 75 A 5 ALA H A 5 ALA HB% 1.0 1.68 2.80 92 76 A 6 ILE H A 5 ALA HB% 1.0 2.17 3.63 93 77 A 6 ILE H A 6 ILE HG1y 1.0 1.45 2.41 94 77 A 6 ILE H A 6 ILE HG1x 1.0 1.45 2.41 95 77 A 6 ILE H A 6 ILE HB 1.0 1.45 2.41 96 78 A 6 ILE H A 6 ILE HD1% 1.0 2.48 4.14 97 79 A 7 ALA H A 6 ILE HD1% 1.0 3.04 5.08 98 80 A 6 ILE H A 6 ILE HG2% 1.0 2.48 4.14 99 81 A 7 ALA H A 10 ILE HD1% 1.0 2.20 3.68 100 81 A 7 ALA H A 6 ILE HG2% 1.0 2.20 3.68 101 82 A 6 ILE H A 7 ALA HB% 1.0 3.34 5.56 102 83 A 7 ALA H A 7 ALA HB% 1.0 1.57 2.63 103 84 A 8 GLY H A 7 ALA HB% 1.0 2.03 3.39 104 85 A 8 GLY H A 9 PHE HBy 1.0 3.57 5.95 105 85 A 8 GLY H A 9 PHE HBx 1.0 3.57 5.95 106 86 A 9 PHE H A 9 PHE HBy 1.0 1.78 2.96 107 86 A 9 PHE H A 9 PHE HBx 1.0 1.78 2.96 108 87 A 10 ILE H A 9 PHE HBy 1.0 2.26 3.78 109 87 A 10 ILE H A 9 PHE HBx 1.0 2.26 3.78 110 88 A 10 ILE H A 11 GLU HBx 1.0 1.72 2.86 111 88 A 10 ILE H A 11 GLU HBy 1.0 1.72 2.86 112 88 A 10 ILE H A 10 ILE HB 1.0 1.72 2.86 113 89 A 11 GLU H A 11 GLU HBx 1.0 1.39 2.31 114 89 A 11 GLU H A 11 GLU HBy 1.0 1.39 2.31 115 89 A 11 GLU H A 10 ILE HB 1.0 1.39 2.31 116 90 A 12 GLY H A 11 GLU HBx 1.0 1.97 3.29 117 90 A 12 GLY H A 11 GLU HBy 1.0 1.97 3.29 118 90 A 12 GLY H A 10 ILE HB 1.0 1.97 3.29 119 91 A 10 ILE H A 10 ILE HG2% 1.0 2.17 3.63 120 91 A 10 ILE H A 10 ILE HD1% 1.0 2.17 3.63 121 92 A 10 ILE H A 10 ILE HG1y 1.0 1.68 2.80 122 92 A 10 ILE H A 10 ILE HG1x 1.0 1.68 2.80 123 93 A 11 GLU H A 10 ILE HG2% 1.0 2.38 3.96 124 93 A 11 GLU H A 10 ILE HD1% 1.0 2.38 3.96 125 94 A 11 GLU H A 11 GLU HGy 1.0 2.25 3.75 126 94 A 11 GLU H A 11 GLU HGx 1.0 2.25 3.75 127 95 A 14 TRP H A 14 TRP HBy 1.0 1.27 3.18 128 95 A 14 TRP H A 14 TRP HBx 1.0 1.27 3.18 129 96 A 15 THR H A 14 TRP HBy 1.0 1.75 2.91 130 96 A 15 THR H A 14 TRP HBx 1.0 1.75 2.91 131 97 A 15 THR H A 15 THR HB 1.0 1.72 2.86 132 98 A 16 GLY H A 15 THR HB 1.0 2.08 3.46 133 99 A 15 THR H A 15 THR HG2% 1.0 2.24 3.74 134 100 A 16 GLY H A 15 THR HG2% 1.0 2.89 4.83 135 101 A 16 GLY H A 17 MET HGy 1.0 3.10 5.18 136 101 A 16 GLY H A 17 MET HGx 1.0 3.10 5.18 137 101 A 16 GLY H A 17 MET HBx 1.0 3.10 5.18 138 101 A 16 GLY H A 17 MET HBy 1.0 3.10 5.18 139 102 A 17 MET H A 17 MET HGy 1.0 1.63 2.71 140 102 A 17 MET H A 17 MET HBy 1.0 1.63 2.71 141 102 A 17 MET H A 17 MET HGx 1.0 1.63 2.71 142 102 A 17 MET H A 17 MET HBx 1.0 1.63 2.71 143 103 A 18 ILE H A 17 MET HGy 1.0 1.84 3.08 144 103 A 18 ILE H A 17 MET HBy 1.0 1.84 3.08 145 103 A 18 ILE H A 17 MET HGx 1.0 1.84 3.08 146 103 A 18 ILE H A 17 MET HBx 1.0 1.84 3.08 147 104 A 17 MET H A 17 MET HE1 1.0 3.53 5.89 148 105 A 18 ILE H A 18 ILE HB 1.0 1.75 2.93 149 106 A 19 ASP H A 18 ILE HB 1.0 1.87 3.11 150 107 A 18 ILE H A 18 ILE HD1% 1.0 2.93 4.89 151 108 A 19 ASP H A 18 ILE HD1% 1.0 3.53 5.89 152 109 A 18 ILE H A 18 ILE HG1y 1.0 1.76 2.94 153 109 A 18 ILE H A 18 ILE HG1x 1.0 1.76 2.94 154 110 A 19 ASP H A 18 ILE HG1y 1.0 2.65 4.41 155 110 A 19 ASP H A 18 ILE HG1x 1.0 2.65 4.41 156 111 A 18 ILE H A 18 ILE HG2% 1.0 2.56 4.28 157 112 A 19 ASP H A 18 ILE HG2% 1.0 2.47 4.11 158 113 A 19 ASP H A 19 ASP HBy 1.0 1.51 2.51 159 113 A 19 ASP H A 19 ASP HBx 1.0 1.51 2.51 160 114 A 20 GLY H A 19 ASP HBy 1.0 1.87 3.11 161 114 A 20 GLY H A 19 ASP HBx 1.0 1.87 3.11 162 115 A 21 TRP H A 21 TRP HBy 1.0 1.57 2.63 163 115 A 21 TRP H A 21 TRP HBx 1.0 1.57 2.63 164 116 A 22 TYR H A 21 TRP HBy 1.0 1.82 3.04 165 116 A 22 TYR H A 21 TRP HBx 1.0 1.82 3.04 166 117 A 22 TYR H A 22 TYR HBy 1.0 1.68 2.80 167 117 A 22 TYR H A 22 TYR HBx 1.0 1.68 2.80 168 118 A 23 GLY H A 22 TYR HBy 1.0 2.20 3.68 169 118 A 23 GLY H A 22 TYR HBx 1.0 2.20 3.68 170 119 A 3 PHE H A 3 PHE HZ 1.0 3.02 5.04 171 119 A 3 PHE H A 3 PHE HE% 1.0 3.02 5.04 172 119 A 3 PHE H A 3 PHE HD% 1.0 3.02 5.04 173 120 A 9 PHE H A 9 PHE HE% 1.0 2.86 4.76 174 120 A 9 PHE H A 9 PHE HD% 1.0 2.86 4.76 175 120 A 9 PHE H A 9 PHE HZ 1.0 2.86 4.76 176 121 A 10 ILE H A 9 PHE HZ 1.0 2.92 4.86 177 121 A 10 ILE H A 9 PHE HE% 1.0 2.92 4.86 178 121 A 10 ILE H A 9 PHE HD% 1.0 2.92 4.86 179 122 A 14 TRP H A 14 TRP HD1 1.0 1.99 4.99 180 123 A 15 THR H A 14 TRP HD1 1.0 2.88 4.80 181 124 A 15 THR H A 14 TRP HE3 1.0 3.52 5.88 182 125 A 21 TRP H A 21 TRP HD1 1.0 3.19 5.33 183 126 A 22 TYR H A 21 TRP HD1 1.0 2.89 4.81 184 127 A 22 TYR H A 22 TYR HE% 1.0 2.46 6.16 185 127 A 22 TYR H A 22 TYR HD% 1.0 2.46 6.16 186 127 A 22 TYR H A 21 TRP HH2 1.0 2.46 6.16 187 128 A 21 TRP H A 22 TYR HE% 1.0 3.45 5.75 188 128 A 21 TRP H A 22 TYR HD% 1.0 3.45 5.75 189 128 A 21 TRP H A 21 TRP HH2 1.0 3.45 5.75 190 129 A 22 TYR H A 22 TYR HE% 1.0 2.18 3.64 191 129 A 22 TYR H A 22 TYR HD% 1.0 2.18 3.64 192 129 A 22 TYR H A 21 TRP HH2 1.0 2.18 3.64 193 130 A 23 GLY H A 22 TYR HE% 1.0 3.49 5.83 194 130 A 23 GLY H A 22 TYR HD% 1.0 3.49 5.83 195 130 A 23 GLY H A 21 TRP HH2 1.0 3.49 5.83 196 131 A 9 PHE HA A 10 ILE HA 1.0 4.46 6.70 197 132 A 10 ILE HA A 11 GLU HA 1.0 4.03 6.05 198 133 A 14 TRP HA A 15 THR HA 1.0 4.04 6.06 199 134 A 2 LEU HA A 2 LEU HBy 1.0 2.00 3.34 200 134 A 2 LEU HA A 2 LEU HBx 1.0 2.00 3.34 201 135 A 2 LEU HA A 2 LEU HDy% 1.0 1.45 2.43 202 135 A 2 LEU HA A 2 LEU HDx% 1.0 1.45 2.43 203 136 A 2 LEU HA A 2 LEU HG 1.0 2.55 4.25 204 137 A 3 PHE HA A 3 PHE HBx 1.0 1.80 3.00 205 137 A 3 PHE HA A 3 PHE HBy 1.0 1.80 3.00 206 138 A 5 ALA HB% A 5 ALA HA 1.0 1.80 3.00 207 139 A 7 ALA HA A 10 ILE HD1% 1.0 1.84 3.08 208 139 A 7 ALA HA A 6 ILE HG2% 1.0 1.84 3.08 209 140 A 6 ILE HA A 6 ILE HD1% 1.0 2.38 3.98 210 141 A 6 ILE HA A 6 ILE HG2% 1.0 1.75 2.93 211 142 A 6 ILE HA A 7 ALA HB% 1.0 4.36 7.28 212 143 A 7 ALA HA A 6 ILE HD1% 1.0 4.70 7.84 213 144 A 7 ALA HA A 7 ALA HB% 1.0 1.44 2.40 214 145 A 9 PHE HA A 9 PHE HBy 1.0 2.24 3.74 215 145 A 9 PHE HA A 9 PHE HBx 1.0 2.24 3.74 216 146 A 10 ILE HA A 10 ILE HB 1.0 2.45 4.09 217 147 A 10 ILE HA A 10 ILE HD1% 1.0 2.16 3.60 218 148 A 10 ILE HA A 10 ILE HG2% 1.0 1.74 2.90 219 149 A 10 ILE HA A 10 ILE HG1y 1.0 1.97 3.29 220 149 A 10 ILE HA A 10 ILE HG1x 1.0 1.97 3.29 221 150 A 11 GLU HA A 10 ILE HG2% 1.0 2.40 4.00 222 151 A 11 GLU HA A 11 GLU HBx 1.0 1.77 2.95 223 151 A 11 GLU HA A 11 GLU HBy 1.0 1.77 2.95 224 152 A 11 GLU HA A 11 GLU HGy 1.0 2.24 3.74 225 152 A 11 GLU HA A 11 GLU HGx 1.0 2.24 3.74 226 153 A 14 TRP HA A 14 TRP HBy 1.0 2.20 3.68 227 153 A 14 TRP HA A 14 TRP HBx 1.0 2.20 3.68 228 154 A 15 THR HA A 15 THR HB 1.0 1.88 3.14 229 155 A 15 THR HA A 15 THR HG2% 1.0 1.59 2.65 230 156 A 14 TRP HA A 15 THR HG2% 1.0 4.81 8.03 231 157 A 19 ASP HA A 15 THR HG2% 1.0 4.60 7.68 232 158 A 17 MET HA A 17 MET HE1 1.0 3.65 6.09 233 159 A 17 MET HA A 17 MET HGy 1.0 2.35 3.93 234 159 A 17 MET HA A 17 MET HGx 1.0 2.35 3.93 235 160 A 18 ILE HA A 17 MET HE1 1.0 3.24 5.40 236 161 A 18 ILE HA A 18 ILE HB 1.0 2.56 4.26 237 162 A 18 ILE HA A 18 ILE HD1% 1.0 2.26 3.78 238 163 A 18 ILE HA A 18 ILE HG2% 1.0 1.90 3.16 239 164 A 19 ASP HA A 18 ILE HD1% 1.0 4.70 7.84 240 164 A 17 MET HA A 18 ILE HD1% 1.0 4.70 7.84 241 165 A 19 ASP HA A 18 ILE HG1y 1.0 4.09 6.83 242 165 A 17 MET HA A 18 ILE HG1y 1.0 4.09 6.83 243 165 A 19 ASP HA A 18 ILE HG1x 1.0 4.09 6.83 244 165 A 17 MET HA A 18 ILE HG1x 1.0 4.09 6.83 245 166 A 19 ASP HA A 18 ILE HG2% 1.0 2.86 4.76 246 166 A 17 MET HA A 18 ILE HG2% 1.0 2.86 4.76 247 167 A 19 ASP HA A 19 ASP HBy 1.0 1.90 3.16 248 167 A 19 ASP HA A 19 ASP HBx 1.0 1.90 3.16 249 168 A 22 TYR HA A 22 TYR HBy 1.0 2.05 3.43 250 168 A 22 TYR HA A 22 TYR HBx 1.0 2.05 3.43 251 169 A 9 PHE HA A 10 ILE HD1% 1.0 4.64 7.74 252 169 A 9 PHE HA A 6 ILE HG2% 1.0 4.64 7.74 253 170 A 15 THR HA A 14 TRP HBy 1.0 3.54 5.90 254 170 A 15 THR HA A 14 TRP HBx 1.0 3.54 5.90 255 171 A 15 THR HG2% A 16 GLY HAy 1.0 3.53 5.89 256 172 A 19 ASP HA A 18 ILE HB 1.0 3.91 6.51 257 172 A 17 MET HA A 18 ILE HB 1.0 3.91 6.51 258 173 A 19 ASP HA A 18 ILE HD1% 1.0 5.38 8.98 259 173 A 17 MET HA A 18 ILE HD1% 1.0 5.38 8.98 260 174 A 18 ILE HA A 17 MET HGy 1.0 3.34 5.58 261 174 A 18 ILE HA A 17 MET HGx 1.0 3.34 5.58 262 175 A 2 LEU HG A 2 LEU HBy 1.0 1.92 3.58 263 175 A 2 LEU HBx A 2 LEU HG 1.0 1.92 3.58 264 176 A 2 LEU HDy% A 2 LEU HG 1.0 1.39 2.57 265 176 A 2 LEU HDx% A 2 LEU HG 1.0 1.39 2.57 266 177 A 5 ALA HB% A 6 ILE HD1% 1.0 3.10 5.76 267 178 A 6 ILE HB A 7 ALA HB% 1.0 3.42 6.36 268 179 A 10 ILE HD1% A 10 ILE HB 1.0 1.68 3.12 269 180 A 10 ILE HB A 10 ILE HG2% 1.0 1.51 2.81 270 181 A 10 ILE HG2% A 11 GLU HGy 1.0 2.90 5.40 271 181 A 10 ILE HG2% A 11 GLU HGx 1.0 2.90 5.40 272 182 A 11 GLU HBx A 11 GLU HGy 1.0 1.81 3.37 273 182 A 11 GLU HGx A 11 GLU HBx 1.0 1.81 3.37 274 182 A 11 GLU HBy A 11 GLU HGx 1.0 1.81 3.37 275 182 A 11 GLU HBy A 11 GLU HGy 1.0 1.81 3.37 276 183 A 15 THR HB A 15 THR HG2% 1.0 1.42 2.64 277 184 A 15 THR HG2% A 14 TRP HBy 1.0 3.27 6.07 278 184 A 14 TRP HBx A 15 THR HG2% 1.0 3.27 6.07 279 185 A 15 THR HG2% A 18 ILE HB 1.0 3.21 5.95 280 186 A 15 THR HG2% A 19 ASP HBy 1.0 3.69 6.85 281 186 A 15 THR HG2% A 19 ASP HBx 1.0 3.69 6.85 282 187 A 17 MET HE1 A 17 MET HBy 1.0 2.12 3.94 283 187 A 17 MET HBx A 17 MET HE1 1.0 2.12 3.94 284 188 A 17 MET HE1 A 17 MET HGy 1.0 2.17 4.03 285 188 A 17 MET HGx A 17 MET HE1 1.0 2.17 4.03 286 189 A 17 MET HE1 A 18 ILE HD1% 1.0 1.99 3.71 287 190 A 17 MET HE1 A 18 ILE HG2% 1.0 2.94 5.46 288 191 A 17 MET HE1 A 17 MET HGy 1.0 2.14 3.98 289 191 A 17 MET HGx A 17 MET HE1 1.0 2.14 3.98 290 192 A 18 ILE HB A 18 ILE HD1% 1.0 2.16 4.02 291 193 A 18 ILE HB A 18 ILE HG1y 1.0 2.02 3.74 292 193 A 18 ILE HB A 18 ILE HG1x 1.0 2.02 3.74 293 194 A 18 ILE HB A 18 ILE HG2% 1.0 1.67 3.11 294 195 A 18 ILE HD1% A 17 MET HBy 1.0 3.91 7.27 295 195 A 17 MET HBx A 18 ILE HD1% 1.0 3.91 7.27 296 196 A 18 ILE HD1% A 17 MET HGy 1.0 3.76 6.98 297 196 A 17 MET HGx A 18 ILE HD1% 1.0 3.76 6.98 298 197 A 18 ILE HD1% A 18 ILE HG1y 1.0 1.59 2.95 299 197 A 18 ILE HD1% A 18 ILE HG1x 1.0 1.59 2.95 300 198 A 18 ILE HD1% A 18 ILE HG2% 1.0 1.56 2.90 301 199 A 17 MET HE1 A 18 ILE HG2% 1.0 2.64 4.90 302 200 A 18 ILE HG2% A 19 ASP HBy 1.0 4.06 7.54 303 200 A 18 ILE HG2% A 19 ASP HBx 1.0 4.06 7.54 304 201 A 5 ALA HB% A 6 ILE HD1% 1.0 3.84 7.12 305 202 A 6 ILE HB A 7 ALA HB% 1.0 3.76 6.98 306 203 A 6 ILE HG2% A 11 GLU HGy 1.0 2.80 5.20 307 203 A 10 ILE HD1% A 11 GLU HGy 1.0 2.80 5.20 308 203 A 10 ILE HD1% A 11 GLU HGx 1.0 2.80 5.20 309 203 A 6 ILE HG2% A 11 GLU HGx 1.0 2.80 5.20 310 204 A 2 LEU HA A 3 PHE HD% 1.0 2.05 3.81 311 204 A 3 PHE HA A 3 PHE HZ 1.0 2.05 3.81 312 204 A 3 PHE HA A 3 PHE HD% 1.0 2.05 3.81 313 204 A 2 LEU HA A 3 PHE HE% 1.0 2.05 3.81 314 204 A 2 LEU HA A 3 PHE HZ 1.0 2.05 3.81 315 204 A 3 PHE HA A 3 PHE HE% 1.0 2.05 3.81 316 205 A 4 GLY HAy A 3 PHE HD% 1.0 3.60 6.68 317 205 A 4 GLY HAy A 3 PHE HE% 1.0 3.60 6.68 318 205 A 4 GLY HAy A 3 PHE HZ 1.0 3.60 6.68 319 205 A 3 PHE HD% A 4 GLY HAx 1.0 3.60 6.68 320 205 A 3 PHE HE% A 4 GLY HAx 1.0 3.60 6.68 321 205 A 3 PHE HZ A 4 GLY HAx 1.0 3.60 6.68 322 206 A 9 PHE HA A 9 PHE HZ 1.0 2.31 4.29 323 206 A 9 PHE HA A 9 PHE HE% 1.0 2.31 4.29 324 206 A 9 PHE HA A 9 PHE HD% 1.0 2.31 4.29 325 207 A 10 ILE HA A 9 PHE HZ 1.0 2.82 5.24 326 207 A 10 ILE HA A 9 PHE HE% 1.0 2.82 5.24 327 207 A 10 ILE HA A 9 PHE HD% 1.0 2.82 5.24 328 208 A 14 TRP HA A 14 TRP HD1 1.0 3.00 5.58 329 209 A 14 TRP HA A 14 TRP HE3 1.0 2.15 3.99 330 210 A 14 TRP HA A 14 TRP HZ3 1.0 3.35 6.21 331 211 A 15 THR HA A 14 TRP HD1 1.0 2.37 4.41 332 212 A 15 THR HA A 14 TRP HE3 1.0 4.12 7.64 333 213 A 21 TRP HA A 21 TRP HD1 1.0 3.29 6.11 334 214 A 21 TRP HA A 21 TRP HE3 1.0 2.04 3.78 335 215 A 21 TRP HA A 21 TRP HZ3 1.0 3.03 5.63 336 216 A 21 TRP HA A 22 TYR HD% 1.0 4.27 7.93 337 217 A 22 TYR HA A 21 TRP HD1 1.0 3.14 5.84 338 218 A 22 TYR HA A 22 TYR HD% 1.0 1.95 3.61 339 219 A 22 TYR HA A 22 TYR HE% 1.0 2.80 5.20 340 219 A 22 TYR HA A 21 TRP HH2 1.0 2.80 5.20 341 220 A 21 TRP HA A 22 TYR HD% 1.0 4.27 7.93 342 221 A 2 LEU HBx A 3 PHE HD% 1.0 3.05 6.35 343 221 A 2 LEU HBx A 3 PHE HE% 1.0 3.05 6.35 344 221 A 3 PHE HZ A 2 LEU HBy 1.0 3.05 6.35 345 221 A 2 LEU HBx A 3 PHE HZ 1.0 3.05 6.35 346 221 A 3 PHE HD% A 2 LEU HBy 1.0 3.05 6.35 347 221 A 3 PHE HE% A 2 LEU HBy 1.0 3.05 6.35 348 222 A 2 LEU HDx% A 3 PHE HE% 1.0 1.83 3.79 349 222 A 2 LEU HDy% A 3 PHE HZ 1.0 1.83 3.79 350 222 A 2 LEU HDx% A 3 PHE HZ 1.0 1.83 3.79 351 222 A 2 LEU HDy% A 3 PHE HD% 1.0 1.83 3.79 352 222 A 2 LEU HDx% A 3 PHE HD% 1.0 1.83 3.79 353 222 A 2 LEU HDy% A 3 PHE HE% 1.0 1.83 3.79 354 223 A 2 LEU HG A 3 PHE HZ 1.0 2.74 5.68 355 223 A 2 LEU HG A 3 PHE HE% 1.0 2.74 5.68 356 223 A 2 LEU HG A 3 PHE HD% 1.0 2.74 5.68 357 224 A 3 PHE HBy A 3 PHE HE% 1.0 1.87 3.89 358 224 A 3 PHE HBy A 3 PHE HD% 1.0 1.87 3.89 359 224 A 3 PHE HBy A 3 PHE HZ 1.0 1.87 3.89 360 224 A 3 PHE HD% A 3 PHE HBx 1.0 1.87 3.89 361 224 A 3 PHE HE% A 3 PHE HBx 1.0 1.87 3.89 362 224 A 3 PHE HZ A 3 PHE HBx 1.0 1.87 3.89 363 225 A 9 PHE HBx A 9 PHE HE% 1.0 1.86 3.86 364 225 A 9 PHE HBx A 9 PHE HZ 1.0 1.86 3.86 365 225 A 9 PHE HBx A 9 PHE HD% 1.0 1.86 3.86 366 225 A 9 PHE HD% A 9 PHE HBy 1.0 1.86 3.86 367 225 A 9 PHE HE% A 9 PHE HBy 1.0 1.86 3.86 368 225 A 9 PHE HZ A 9 PHE HBy 1.0 1.86 3.86 369 226 A 9 PHE HD% A 10 ILE HG1y 1.0 2.52 5.24 370 226 A 10 ILE HG1x A 9 PHE HZ 1.0 2.52 5.24 371 226 A 10 ILE HG1x A 9 PHE HD% 1.0 2.52 5.24 372 226 A 10 ILE HG1x A 9 PHE HE% 1.0 2.52 5.24 373 226 A 9 PHE HE% A 10 ILE HG1y 1.0 2.52 5.24 374 226 A 9 PHE HZ A 10 ILE HG1y 1.0 2.52 5.24 375 227 A 14 TRP HD1 A 14 TRP HBy 1.0 1.87 3.89 376 227 A 14 TRP HBx A 14 TRP HD1 1.0 1.87 3.89 377 228 A 14 TRP HE3 A 14 TRP HBy 1.0 2.05 4.25 378 228 A 14 TRP HBx A 14 TRP HE3 1.0 2.05 4.25 379 229 A 15 THR HG2% A 14 TRP HD1 1.0 2.20 4.56 380 230 A 15 THR HB A 14 TRP HD1 1.0 3.39 7.03 381 231 A 15 THR HG2% A 14 TRP HE3 1.0 4.41 9.15 382 232 A 21 TRP HD1 A 21 TRP HBy 1.0 2.09 4.33 383 232 A 21 TRP HBx A 21 TRP HD1 1.0 2.09 4.33 384 233 A 21 TRP HE3 A 21 TRP HBy 1.0 2.17 4.51 385 233 A 21 TRP HBx A 21 TRP HE3 1.0 2.17 4.51 386 234 A 22 TYR HD% A 21 TRP HBy 1.0 2.68 5.58 387 234 A 21 TRP HBx A 22 TYR HD% 1.0 2.68 5.58 388 235 A 21 TRP HD1 A 22 TYR HD% 1.0 2.40 5.00 389 236 A 21 TRP HD1 A 22 TYR HE% 1.0 2.28 4.74 390 236 A 21 TRP HD1 A 21 TRP HH2 1.0 2.28 4.74 391 237 A 10 ILE HB A 9 PHE HZ 1.0 3.17 6.57 392 237 A 10 ILE HB A 9 PHE HE% 1.0 3.17 6.57 393 237 A 10 ILE HB A 9 PHE HD% 1.0 3.17 6.57 394 238 A 14 TRP HZ3 A 14 TRP HBy 1.0 3.26 6.76 395 238 A 14 TRP HBx A 14 TRP HZ3 1.0 3.26 6.76 396 239 A 15 THR HA A 14 TRP HE3 1.0 4.26 8.86 397 240 A 3 PHE HA A 5 ALA H 1.0 2.49 3.73 398 240 A 2 LEU HA A 5 ALA H 1.0 2.49 3.73 399 241 A 3 PHE HA A 6 ILE H 1.0 2.52 3.78 400 241 A 2 LEU HA A 6 ILE H 1.0 2.52 3.78 401 242 A 3 PHE HA A 7 ALA H 1.0 2.93 4.39 402 242 A 2 LEU HA A 7 ALA H 1.0 2.93 4.39 403 243 A 3 PHE H A 5 ALA H 1.0 3.53 5.29 404 244 A 6 ILE H A 4 GLY HAx 1.0 3.32 4.98 405 244 A 4 GLY HAy A 6 ILE H 1.0 3.32 4.98 406 245 A 7 ALA H A 4 GLY HAx 1.0 2.61 3.91 407 245 A 4 GLY HAy A 7 ALA H 1.0 2.61 3.91 408 246 A 4 GLY H A 6 ILE H 1.0 3.91 5.87 409 247 A 6 ILE HA A 9 PHE H 1.0 2.47 3.71 410 248 A 6 ILE HA A 10 ILE H 1.0 3.39 5.09 411 249 A 6 ILE H A 8 GLY H 1.0 3.53 5.29 412 250 A 7 ALA HA A 9 PHE H 1.0 3.67 5.51 413 251 A 7 ALA HA A 10 ILE H 1.0 2.90 4.34 414 252 A 7 ALA HA A 11 GLU H 1.0 3.35 5.03 415 253 A 9 PHE H A 11 GLU H 1.0 3.26 4.90 416 253 A 8 GLY H A 11 GLU H 1.0 3.26 4.90 417 254 A 10 ILE H A 8 GLY HAx 1.0 2.83 5.66 418 254 A 8 GLY HAy A 10 ILE H 1.0 2.83 5.66 419 255 A 11 GLU H A 8 GLY HAx 1.0 3.06 4.60 420 255 A 8 GLY HAy A 11 GLU H 1.0 3.06 4.60 421 256 A 12 GLY H A 8 GLY HAx 1.0 3.20 4.80 422 256 A 8 GLY HAy A 12 GLY H 1.0 3.20 4.80 423 257 A 9 PHE HA A 13 GLY H 1.0 2.60 4.55 424 258 A 10 ILE HA A 12 GLY H 1.0 3.89 5.83 425 259 A 10 ILE HA A 13 GLY H 1.0 3.73 5.59 426 260 A 8 GLY H A 10 ILE H 1.0 3.68 5.52 427 261 A 10 ILE H A 12 GLY H 1.0 3.54 5.30 428 262 A 11 GLU HA A 13 GLY H 1.0 3.70 5.56 429 263 A 11 GLU H A 13 GLY H 1.0 3.06 4.60 430 264 A 12 GLY HAy A 16 GLY H 1.0 3.48 5.22 431 265 A 15 THR H A 13 GLY HAy 1.0 3.28 4.92 432 266 A 15 THR H A 13 GLY HAx 1.0 4.01 6.01 433 267 A 14 TRP HA A 17 MET H 1.0 2.90 4.36 434 268 A 14 TRP HA A 18 ILE H 1.0 3.52 5.28 435 269 A 15 THR HA A 17 MET H 1.0 2.66 5.32 436 270 A 15 THR HA A 18 ILE H 1.0 2.68 4.02 437 271 A 15 THR HA A 19 ASP H 1.0 2.96 4.44 438 272 A 14 TRP H A 16 GLY H 1.0 2.51 5.02 439 273 A 16 GLY H A 18 ILE H 1.0 3.79 5.69 440 274 A 19 ASP H A 16 GLY HAy 1.0 3.00 4.50 441 275 A 19 ASP HA A 21 TRP H 1.0 3.04 4.56 442 275 A 17 MET HA A 21 TRP H 1.0 3.04 4.56 443 276 A 19 ASP HA A 22 TYR H 1.0 3.17 4.75 444 276 A 17 MET HA A 22 TYR H 1.0 3.17 4.75 445 277 A 19 ASP HA A 23 GLY H 1.0 3.47 5.21 446 277 A 17 MET HA A 23 GLY H 1.0 3.47 5.21 447 278 A 17 MET H A 19 ASP H 1.0 3.56 5.34 448 279 A 22 TYR H A 20 GLY HAy 1.0 2.96 4.44 449 279 A 20 GLY HAx A 22 TYR H 1.0 2.96 4.44 450 279 A 18 ILE HA A 22 TYR H 1.0 2.96 4.44 451 280 A 20 GLY H A 18 ILE H 1.0 3.67 5.51 452 281 A 23 GLY H A 20 GLY HAy 1.0 2.92 4.38 453 281 A 20 GLY HAx A 23 GLY H 1.0 2.92 4.38 454 282 A 21 TRP HA A 23 GLY H 1.0 3.62 5.44 455 283 A 21 TRP H A 19 ASP H 1.0 3.34 5.02 456 284 A 21 TRP H A 23 GLY H 1.0 3.54 5.32 457 285 A 20 GLY H A 22 TYR H 1.0 3.90 5.84 458 286 A 5 ALA H A 3 PHE HBx 1.0 3.03 5.05 459 286 A 5 ALA H A 3 PHE HBy 1.0 3.03 5.05 460 287 A 6 ILE H A 3 PHE HBx 1.0 3.48 5.80 461 287 A 6 ILE H A 3 PHE HBy 1.0 3.48 5.80 462 288 A 7 ALA H A 5 ALA HB% 1.0 3.54 5.90 463 289 A 8 GLY H A 6 ILE HG2% 1.0 3.67 6.11 464 290 A 9 PHE H A 10 ILE HD1% 1.0 3.24 5.40 465 290 A 9 PHE H A 6 ILE HG2% 1.0 3.24 5.40 466 291 A 10 ILE H A 7 ALA HB% 1.0 3.92 6.54 467 292 A 13 GLY H A 11 GLU HBx 1.0 3.24 5.40 468 292 A 13 GLY H A 11 GLU HBy 1.0 3.24 5.40 469 292 A 13 GLY H A 10 ILE HB 1.0 3.24 5.40 470 293 A 19 ASP H A 15 THR HG2% 1.0 3.85 6.43 471 294 A 22 TYR H A 18 ILE HG2% 1.0 3.85 6.41 472 295 A 13 GLY H A 9 PHE HZ 1.0 3.24 5.40 473 295 A 13 GLY H A 9 PHE HE% 1.0 3.24 5.40 474 295 A 13 GLY H A 9 PHE HD% 1.0 3.24 5.40 475 296 A 3 PHE HA A 6 ILE HA 1.0 4.02 6.02 476 296 A 2 LEU HA A 6 ILE HA 1.0 4.02 6.02 477 297 A 7 ALA HA A 10 ILE HA 1.0 3.89 5.83 478 298 A 18 ILE HA A 21 TRP HA 1.0 3.88 5.82 479 299 A 14 TRP HA A 17 MET HA 1.0 4.18 6.28 480 300 A 9 PHE HA A 13 GLY HAy 1.0 3.13 6.26 481 301 A 9 PHE HA A 13 GLY HAx 1.0 2.97 5.94 482 302 A 2 LEU HA A 4 GLY HAx 1.0 4.05 6.07 483 302 A 2 LEU HA A 4 GLY HAy 1.0 4.05 6.07 484 303 A 6 ILE HA A 17 MET HA 1.0 3.68 5.52 485 303 A 6 ILE HA A 9 PHE HA 1.0 3.68 5.52 486 304 A 12 GLY HAy A 16 GLY HAy 1.0 3.80 5.70 487 304 A 17 MET HA A 16 GLY HAy 1.0 3.80 5.70 488 305 A 18 ILE HA A 21 TRP HA 1.0 3.90 5.84 489 306 A 3 PHE HA A 5 ALA HB% 1.0 2.16 3.60 490 306 A 2 LEU HA A 5 ALA HB% 1.0 2.16 3.60 491 307 A 3 PHE HA A 6 ILE HB 1.0 2.38 3.98 492 307 A 2 LEU HA A 6 ILE HB 1.0 2.38 3.98 493 308 A 3 PHE HA A 6 ILE HD1% 1.0 2.06 3.44 494 308 A 2 LEU HA A 6 ILE HD1% 1.0 2.06 3.44 495 309 A 7 ALA HB% A 4 GLY HAx 1.0 2.12 3.54 496 309 A 4 GLY HAy A 7 ALA HB% 1.0 2.12 3.54 497 310 A 7 ALA HA A 10 ILE HG1y 1.0 2.80 4.68 498 310 A 7 ALA HA A 10 ILE HG1x 1.0 2.80 4.68 499 311 A 7 ALA HA A 10 ILE HG2% 1.0 2.50 4.18 500 312 A 7 ALA HA A 11 GLU HGy 1.0 4.39 7.33 501 312 A 7 ALA HA A 11 GLU HGx 1.0 4.39 7.33 502 313 A 14 TRP HA A 17 MET HBy 1.0 2.80 4.68 503 313 A 14 TRP HA A 17 MET HBx 1.0 2.80 4.68 504 314 A 14 TRP HA A 17 MET HE1 1.0 2.58 4.30 505 315 A 14 TRP HA A 17 MET HGy 1.0 3.27 5.45 506 315 A 14 TRP HA A 17 MET HGx 1.0 3.27 5.45 507 316 A 14 TRP HA A 18 ILE HD1% 1.0 4.39 7.33 508 317 A 15 THR HA A 18 ILE HB 1.0 2.04 3.40 509 318 A 15 THR HA A 18 ILE HD1% 1.0 2.40 4.00 510 319 A 15 THR HA A 18 ILE HG1y 1.0 2.71 4.53 511 319 A 15 THR HA A 18 ILE HG1x 1.0 2.71 4.53 512 320 A 15 THR HA A 18 ILE HG2% 1.0 2.74 4.58 513 321 A 16 GLY HAx A 19 ASP HBy 1.0 2.68 4.48 514 321 A 16 GLY HAy A 19 ASP HBy 1.0 2.68 4.48 515 321 A 19 ASP HBx A 16 GLY HAx 1.0 2.68 4.48 516 321 A 19 ASP HBx A 16 GLY HAy 1.0 2.68 4.48 517 322 A 21 TRP HA A 18 ILE HG2% 1.0 4.96 8.26 518 323 A 22 TYR HA A 18 ILE HG2% 1.0 4.35 7.25 519 324 A 6 ILE HG2% A 4 GLY HAx 1.0 4.24 7.08 520 324 A 4 GLY HAy A 6 ILE HG2% 1.0 4.24 7.08 521 325 A 5 ALA HB% A 1 GLY HAy 1.0 3.00 5.00 522 325 A 5 ALA HB% A 1 GLY HAx 1.0 3.00 5.00 523 326 A 9 PHE HA A 5 ALA HB% 1.0 3.77 6.29 524 327 A 6 ILE HA A 9 PHE HBy 1.0 2.50 4.18 525 327 A 6 ILE HA A 9 PHE HBx 1.0 2.50 4.18 526 328 A 8 GLY HAy A 11 GLU HBx 1.0 2.54 4.24 527 328 A 8 GLY HAx A 11 GLU HBx 1.0 2.54 4.24 528 328 A 11 GLU HBy A 8 GLY HAx 1.0 2.54 4.24 529 328 A 8 GLY HAy A 11 GLU HBy 1.0 2.54 4.24 530 329 A 11 GLU HA A 10 ILE HD1% 1.0 3.97 6.63 531 329 A 11 GLU HA A 6 ILE HG2% 1.0 3.97 6.63 532 330 A 18 ILE HA A 21 TRP HBy 1.0 2.40 4.00 533 330 A 18 ILE HA A 21 TRP HBx 1.0 2.40 4.00 534 331 A 19 ASP HBx A 16 GLY HAx 1.0 3.13 5.21 535 331 A 16 GLY HAx A 19 ASP HBy 1.0 3.13 5.21 536 332 A 19 ASP HBx A 16 GLY HAy 1.0 2.94 4.90 537 332 A 16 GLY HAy A 19 ASP HBy 1.0 2.94 4.90 538 333 A 2 LEU HDy% A 5 ALA HB% 1.0 1.76 3.28 539 333 A 2 LEU HDx% A 5 ALA HB% 1.0 1.76 3.28 540 334 A 6 ILE HB A 3 PHE HBx 1.0 3.30 6.12 541 334 A 3 PHE HBy A 6 ILE HB 1.0 3.30 6.12 542 335 A 6 ILE HD1% A 3 PHE HBx 1.0 3.15 5.85 543 335 A 3 PHE HBy A 6 ILE HD1% 1.0 3.15 5.85 544 336 A 2 LEU HG A 6 ILE HD1% 1.0 2.35 4.37 545 337 A 7 ALA HB% A 3 PHE HBx 1.0 3.69 6.85 546 337 A 3 PHE HBy A 7 ALA HB% 1.0 3.69 6.85 547 338 A 7 ALA HB% A 10 ILE HB 1.0 2.80 5.20 548 339 A 17 MET HE1 A 14 TRP HBy 1.0 3.34 6.11 549 339 A 14 TRP HBx A 17 MET HE1 1.0 3.34 6.11 550 340 A 18 ILE HD1% A 14 TRP HBy 1.0 3.87 7.19 551 340 A 14 TRP HBx A 18 ILE HD1% 1.0 3.87 7.19 552 341 A 15 THR HB A 18 ILE HD1% 1.0 4.31 8.01 553 342 A 15 THR HG2% A 18 ILE HD1% 1.0 3.09 5.73 554 343 A 15 THR HB A 18 ILE HG1y 1.0 4.04 7.50 555 343 A 15 THR HB A 18 ILE HG1x 1.0 4.04 7.50 556 344 A 15 THR HB A 18 ILE HG2% 1.0 4.84 8.98 557 345 A 18 ILE HD1% A 21 TRP HBy 1.0 4.12 7.64 558 345 A 18 ILE HD1% A 21 TRP HBx 1.0 4.12 7.64 559 346 A 18 ILE HG2% A 21 TRP HBy 1.0 3.25 6.03 560 346 A 18 ILE HG2% A 21 TRP HBx 1.0 3.25 6.03 561 347 A 18 ILE HG2% A 22 TYR HBy 1.0 3.36 6.24 562 347 A 18 ILE HG2% A 22 TYR HBx 1.0 3.36 6.24 563 348 A 7 ALA HB% A 3 PHE HBx 1.0 4.10 7.62 564 348 A 3 PHE HBy A 7 ALA HB% 1.0 4.10 7.62 565 349 A 14 TRP HA A 9 PHE HZ 1.0 2.54 4.72 566 349 A 14 TRP HA A 9 PHE HE% 1.0 2.54 4.72 567 349 A 14 TRP HA A 9 PHE HD% 1.0 2.54 4.72 568 350 A 17 MET HA A 22 TYR HE% 1.0 3.24 6.02 569 350 A 19 ASP HA A 22 TYR HE% 1.0 3.24 6.02 570 350 A 19 ASP HA A 21 TRP HH2 1.0 3.24 6.02 571 350 A 17 MET HA A 21 TRP HH2 1.0 3.24 6.02 572 351 A 18 ILE HA A 21 TRP HD1 1.0 3.45 6.41 573 352 A 18 ILE HA A 21 TRP HE3 1.0 3.89 7.23 574 353 A 18 ILE HA A 22 TYR HE% 1.0 3.14 5.84 575 353 A 18 ILE HA A 21 TRP HH2 1.0 3.14 5.84 576 354 A 18 ILE HA A 22 TYR HD% 1.0 3.19 5.93 577 355 A 19 ASP HA A 22 TYR HD% 1.0 3.02 5.60 578 356 A 7 ALA HA A 9 PHE HZ 1.0 4.16 7.74 579 356 A 7 ALA HA A 9 PHE HE% 1.0 4.16 7.74 580 356 A 7 ALA HA A 9 PHE HD% 1.0 4.16 7.74 581 357 A 9 PHE HD% A 13 GLY HAx 1.0 2.81 5.21 582 357 A 9 PHE HZ A 13 GLY HAy 1.0 2.81 5.21 583 357 A 9 PHE HE% A 13 GLY HAx 1.0 2.81 5.21 584 357 A 9 PHE HD% A 13 GLY HAy 1.0 2.81 5.21 585 357 A 9 PHE HE% A 13 GLY HAy 1.0 2.81 5.21 586 357 A 9 PHE HZ A 13 GLY HAx 1.0 2.81 5.21 587 358 A 6 ILE HB A 3 PHE HZ 1.0 3.33 6.91 588 358 A 6 ILE HB A 3 PHE HE% 1.0 3.33 6.91 589 358 A 6 ILE HB A 3 PHE HD% 1.0 3.33 6.91 590 359 A 6 ILE HD1% A 3 PHE HZ 1.0 2.32 4.82 591 359 A 6 ILE HD1% A 3 PHE HE% 1.0 2.32 4.82 592 359 A 6 ILE HD1% A 3 PHE HD% 1.0 2.32 4.82 593 360 A 7 ALA HB% A 3 PHE HZ 1.0 2.74 5.70 594 360 A 7 ALA HB% A 3 PHE HE% 1.0 2.74 5.70 595 360 A 7 ALA HB% A 3 PHE HD% 1.0 2.74 5.70 596 361 A 6 ILE HG2% A 9 PHE HZ 1.0 2.55 5.31 597 361 A 6 ILE HG2% A 9 PHE HE% 1.0 2.55 5.31 598 361 A 6 ILE HG2% A 9 PHE HD% 1.0 2.55 5.31 599 362 A 9 PHE HZ A 14 TRP HE3 1.0 2.75 5.71 600 362 A 9 PHE HE% A 14 TRP HE3 1.0 2.75 5.71 601 362 A 9 PHE HD% A 14 TRP HE3 1.0 2.75 5.71 602 363 A 17 MET HE1 A 14 TRP HD1 1.0 3.59 7.45 603 364 A 17 MET HE1 A 14 TRP HE3 1.0 2.16 4.48 604 365 A 17 MET HE1 A 14 TRP HZ2 1.0 3.49 7.25 605 366 A 17 MET HE1 A 14 TRP HZ3 1.0 2.43 5.05 606 367 A 18 ILE HD1% A 14 TRP HD1 1.0 2.74 5.68 607 368 A 18 ILE HB A 14 TRP HD1 1.0 3.81 7.91 608 369 A 18 ILE HD1% A 14 TRP HE3 1.0 3.47 7.21 609 370 A 18 ILE HD1% A 14 TRP HZ2 1.0 2.91 6.03 610 371 A 18 ILE HD1% A 14 TRP HZ3 1.0 3.79 7.87 611 372 A 14 TRP HD1 A 18 ILE HG1y 1.0 3.00 6.22 612 372 A 18 ILE HG1x A 14 TRP HD1 1.0 3.00 6.22 613 373 A 17 MET HE1 A 21 TRP HE3 1.0 4.66 9.68 614 374 A 18 ILE HB A 22 TYR HD% 1.0 3.50 7.28 615 375 A 18 ILE HD1% A 21 TRP HD1 1.0 4.18 8.68 616 376 A 18 ILE HD1% A 22 TYR HD% 1.0 3.49 7.25 617 377 A 18 ILE HD1% A 22 TYR HE% 1.0 2.75 5.71 618 377 A 18 ILE HD1% A 21 TRP HH2 1.0 2.75 5.71 619 378 A 18 ILE HG2% A 22 TYR HD% 1.0 1.85 3.85 620 379 A 18 ILE HG2% A 22 TYR HE% 1.0 1.83 3.81 621 379 A 18 ILE HG2% A 21 TRP HH2 1.0 1.83 3.81 622 380 A 18 ILE HG2% A 14 TRP HD1 1.0 3.62 7.52 623 381 A 18 ILE HG2% A 14 TRP HE3 1.0 4.73 9.83 624 382 A 18 ILE HG2% A 21 TRP HD1 1.0 3.18 6.62 625 383 A 21 TRP HD1 A 22 TYR HBy 1.0 3.26 6.78 626 383 A 22 TYR HBx A 21 TRP HD1 1.0 3.26 6.78 627 384 A 20 GLY H A 5 ALA HA 1.0 1.86 5.57 628 385 A 21 TRP H A 5 ALA HA 1.0 1.80 5.40 629 386 A 9 PHE H A 17 MET H 1.0 3.16 4.74 630 386 A 8 GLY H A 17 MET H 1.0 3.16 4.74 631 387 A 9 PHE HA A 17 MET H 1.0 2.22 5.18 632 388 A 5 ALA H A 17 MET HA 1.0 4.00 6.00 633 389 A 8 GLY H A 17 MET HA 1.0 3.54 5.30 634 390 A 9 PHE H A 17 MET HA 1.0 2.74 4.12 635 391 A 5 ALA H A 21 TRP HA 1.0 2.90 4.36 636 392 A 20 GLY H A 5 ALA HB% 1.0 3.63 6.05 637 393 A 21 TRP H A 5 ALA HB% 1.0 2.31 3.85 638 394 A 22 TYR H A 5 ALA HB% 1.0 3.67 6.11 639 395 A 17 MET H A 9 PHE HBy 1.0 2.09 5.23 640 395 A 17 MET H A 9 PHE HBx 1.0 2.09 5.23 641 396 A 9 PHE H A 17 MET HBy 1.0 2.49 4.15 642 396 A 9 PHE H A 17 MET HGy 1.0 2.49 4.15 643 396 A 9 PHE H A 17 MET HGx 1.0 2.49 4.15 644 396 A 9 PHE H A 17 MET HBx 1.0 2.49 4.15 645 397 A 17 MET H A 9 PHE HZ 1.0 2.04 5.10 646 397 A 17 MET H A 9 PHE HE% 1.0 2.04 5.10 647 397 A 17 MET H A 9 PHE HD% 1.0 2.04 5.10 648 398 A 5 ALA H A 21 TRP HE3 1.0 2.99 4.99 649 399 A 5 ALA H A 21 TRP HZ3 1.0 3.85 6.43 650 400 A 3 PHE HA A 21 TRP HA 1.0 3.69 5.53 651 400 A 2 LEU HA A 21 TRP HA 1.0 3.69 5.53 652 401 A 21 TRP HA A 5 ALA HA 1.0 4.46 6.70 653 402 A 9 PHE HA A 14 TRP HA 1.0 4.38 6.58 654 403 A 17 MET HA A 5 ALA HA 1.0 2.90 6.52 655 404 A 21 TRP HA A 1 GLY HAx 1.0 3.26 4.90 656 405 A 21 TRP HA A 1 GLY HAy 1.0 3.72 5.58 657 406 A 5 ALA HA A 20 GLY HAy 1.0 2.23 3.35 658 406 A 20 GLY HAx A 5 ALA HA 1.0 2.23 3.35 659 407 A 17 MET HA A 8 GLY HAx 1.0 2.86 4.28 660 407 A 8 GLY HAy A 17 MET HA 1.0 2.86 4.28 661 408 A 21 TRP HA A 2 LEU HDy% 1.0 3.62 6.04 662 408 A 21 TRP HA A 2 LEU HDx% 1.0 3.62 6.04 663 409 A 21 TRP HA A 5 ALA HB% 1.0 2.10 3.50 664 410 A 17 MET HA A 5 ALA HB% 1.0 2.80 4.66 665 411 A 5 ALA HB% A 20 GLY HAy 1.0 2.59 4.31 666 411 A 20 GLY HAx A 5 ALA HB% 1.0 2.59 4.31 667 412 A 9 PHE HA A 17 MET HBy 1.0 2.81 4.69 668 412 A 9 PHE HA A 17 MET HBx 1.0 2.81 4.69 669 413 A 9 PHE HA A 17 MET HE1 1.0 4.18 6.96 670 414 A 9 PHE HA A 17 MET HGy 1.0 3.25 5.43 671 414 A 9 PHE HA A 17 MET HGx 1.0 3.25 5.43 672 415 A 9 PHE HA A 17 MET HGy 1.0 3.01 5.03 673 415 A 9 PHE HA A 17 MET HGx 1.0 3.01 5.03 674 416 A 21 TRP HA A 5 ALA HB% 1.0 2.17 3.63 675 417 A 5 ALA HA A 17 MET HGy 1.0 3.21 5.35 676 417 A 17 MET HGx A 5 ALA HA 1.0 3.21 5.35 677 418 A 5 ALA HA A 17 MET HBy 1.0 3.31 5.51 678 418 A 17 MET HBx A 5 ALA HA 1.0 3.31 5.51 679 419 A 5 ALA HB% A 21 TRP HBy 1.0 1.94 3.60 680 419 A 5 ALA HB% A 21 TRP HBx 1.0 1.94 3.60 681 420 A 5 ALA HB% A 17 MET HGy 1.0 2.11 3.91 682 420 A 5 ALA HB% A 17 MET HGx 1.0 2.11 3.91 683 421 A 9 PHE HBy A 17 MET HBy 1.0 2.36 4.38 684 421 A 9 PHE HBx A 17 MET HBy 1.0 2.36 4.38 685 421 A 17 MET HBx A 9 PHE HBy 1.0 2.36 4.38 686 421 A 9 PHE HBx A 17 MET HBx 1.0 2.36 4.38 687 422 A 9 PHE HBy A 17 MET HGy 1.0 2.47 4.59 688 422 A 9 PHE HBx A 17 MET HGy 1.0 2.47 4.59 689 422 A 17 MET HGx A 9 PHE HBy 1.0 2.47 4.59 690 422 A 9 PHE HBx A 17 MET HGx 1.0 2.47 4.59 691 423 A 5 ALA HB% A 17 MET HBy 1.0 3.09 5.75 692 423 A 5 ALA HB% A 17 MET HBx 1.0 3.09 5.75 693 424 A 3 PHE HA A 21 TRP HE3 1.0 2.23 4.13 694 424 A 2 LEU HA A 21 TRP HE3 1.0 2.23 4.13 695 425 A 3 PHE HA A 21 TRP HH2 1.0 3.28 6.08 696 425 A 3 PHE HA A 22 TYR HE% 1.0 3.28 6.08 697 425 A 2 LEU HA A 22 TYR HE% 1.0 3.28 6.08 698 425 A 2 LEU HA A 21 TRP HH2 1.0 3.28 6.08 699 426 A 3 PHE HA A 21 TRP HZ3 1.0 2.20 4.10 700 426 A 2 LEU HA A 21 TRP HZ3 1.0 2.20 4.10 701 427 A 5 ALA HA A 21 TRP HE3 1.0 4.44 8.26 702 428 A 21 TRP HZ3 A 1 GLY HAy 1.0 4.02 7.46 703 429 A 21 TRP HZ3 A 1 GLY HAx 1.0 3.67 6.81 704 430 A 3 PHE HA A 21 TRP HZ2 1.0 4.39 8.15 705 430 A 2 LEU HA A 21 TRP HZ2 1.0 4.39 8.15 706 431 A 21 TRP HE3 A 1 GLY HAy 1.0 3.57 6.63 707 432 A 21 TRP HZ3 A 1 GLY HAy 1.0 3.97 7.37 708 433 A 21 TRP HZ3 A 1 GLY HAx 1.0 3.61 6.71 709 434 A 21 TRP HZ3 A 2 LEU HBy 1.0 2.22 4.60 710 434 A 2 LEU HBx A 21 TRP HZ3 1.0 2.22 4.60 711 435 A 2 LEU HDy% A 21 TRP HZ3 1.0 1.85 3.83 712 435 A 2 LEU HDx% A 21 TRP HZ3 1.0 1.85 3.83 713 436 A 2 LEU HG A 21 TRP HZ3 1.0 3.39 7.03 714 437 A 21 TRP HZ3 A 2 LEU HBy 1.0 2.08 4.32 715 437 A 2 LEU HBx A 21 TRP HZ3 1.0 2.08 4.32 716 438 A 2 LEU HDy% A 21 TRP HE3 1.0 2.14 4.44 717 438 A 2 LEU HDx% A 21 TRP HE3 1.0 2.14 4.44 718 439 A 2 LEU HDy% A 21 TRP HZ2 1.0 3.57 7.41 719 439 A 2 LEU HDx% A 21 TRP HZ2 1.0 3.57 7.41 720 440 A 2 LEU HDy% A 21 TRP HZ3 1.0 1.66 3.46 721 440 A 2 LEU HDx% A 21 TRP HZ3 1.0 1.66 3.46 722 441 A 2 LEU HG A 21 TRP HE3 1.0 3.52 7.30 723 442 A 2 LEU HG A 21 TRP HZ3 1.0 3.07 6.37 724 443 A 5 ALA HB% A 21 TRP HE3 1.0 1.75 3.63 725 444 A 5 ALA HB% A 22 TYR HE% 1.0 3.33 6.93 726 444 A 5 ALA HB% A 21 TRP HH2 1.0 3.33 6.93 727 445 A 5 ALA HB% A 21 TRP HZ3 1.0 2.41 5.01 728 446 A 5 ALA HB% A 21 TRP HD1 1.0 3.32 6.90 729 447 A 9 PHE HD% A 17 MET HBy 1.0 2.25 4.67 730 447 A 17 MET HBx A 9 PHE HE% 1.0 2.25 4.67 731 447 A 17 MET HBx A 9 PHE HD% 1.0 2.25 4.67 732 447 A 9 PHE HE% A 17 MET HBy 1.0 2.25 4.67 733 447 A 17 MET HBx A 9 PHE HZ 1.0 2.25 4.67 734 447 A 9 PHE HZ A 17 MET HBy 1.0 2.25 4.67 735 448 A 17 MET HE1 A 9 PHE HZ 1.0 2.63 5.47 736 448 A 17 MET HE1 A 9 PHE HE% 1.0 2.63 5.47 737 448 A 17 MET HE1 A 9 PHE HD% 1.0 2.63 5.47 738 449 A 17 MET HGx A 9 PHE HD% 1.0 2.55 5.29 739 449 A 9 PHE HD% A 17 MET HGy 1.0 2.55 5.29 740 449 A 9 PHE HE% A 17 MET HGy 1.0 2.55 5.29 741 449 A 9 PHE HZ A 17 MET HGy 1.0 2.55 5.29 742 449 A 17 MET HGx A 9 PHE HE% 1.0 2.55 5.29 743 449 A 17 MET HGx A 9 PHE HZ 1.0 2.55 5.29 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 9 PHE HA A 13 GLY O 1.0 0.0 2.7 2 2 A 17 MET HA A 5 ALA O 1.0 0.0 2.7 3 3 A 5 ALA HA A 17 MET O 1.0 0.0 2.7 4 4 A 21 TRP HA A 1 GLY O 1.0 0.0 2.7 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 9 PHE N A 9 PHE CA A 9 PHE CB A 9 PHE CG 1.0 150.0 210.0 CHI1 2 2 A 14 TRP N A 14 TRP CA A 14 TRP CB A 14 TRP CG 1.0 150.0 210.0 CHI1 3 3 A 21 TRP N A 21 TRP CA A 21 TRP CB A 21 TRP CG 1.0 150.0 210.0 CHI1 4 4 A 22 TYR C A 22 TYR CA A 22 TYR CB A 22 TYR CG 1.0 150.0 210.0 . 5 5 A 1 GLY C A 2 LEU N A 2 LEU CA A 2 LEU C 1.0 -72.6 -32.6 PHI 6 6 A 2 LEU N A 2 LEU CA A 2 LEU C A 3 PHE N 1.0 -69.5 -29.5 PSI 7 7 A 2 LEU C A 3 PHE N A 3 PHE CA A 3 PHE C 1.0 -80.0 -40.0 PHI 8 8 A 3 PHE N A 3 PHE CA A 3 PHE C A 4 GLY N 1.0 -61.1 -21.1 PSI 9 9 A 3 PHE C A 4 GLY N A 4 GLY CA A 4 GLY C 1.0 -88.1 -48.1 PHI 10 10 A 4 GLY N A 4 GLY CA A 4 GLY C A 5 ALA N 1.0 -58.6 -18.6 PSI 11 11 A 4 GLY C A 5 ALA N A 5 ALA CA A 5 ALA C 1.0 -103.6 -38.4 PHI 12 12 A 5 ALA N A 5 ALA CA A 5 ALA C A 6 ILE N 1.0 -58.8 -17.8 PSI 13 13 A 5 ALA C A 6 ILE N A 6 ILE CA A 6 ILE C 1.0 -82.1 -42.1 PHI 14 14 A 6 ILE N A 6 ILE CA A 6 ILE C A 7 ALA N 1.0 -63.3 -23.3 PSI 15 15 A 6 ILE C A 7 ALA N A 7 ALA CA A 7 ALA C 1.0 -83.3 -43.3 PHI 16 16 A 7 ALA N A 7 ALA CA A 7 ALA C A 8 GLY N 1.0 -61.3 -20.9 PSI 17 17 A 7 ALA C A 8 GLY N A 8 GLY CA A 8 GLY C 1.0 -85.2 -45.2 PHI 18 18 A 8 GLY N A 8 GLY CA A 8 GLY C A 9 PHE N 1.0 -62.3 -22.3 PSI 19 19 A 8 GLY C A 9 PHE N A 9 PHE CA A 9 PHE C 1.0 -103.1 -36.5 PHI 20 20 A 9 PHE N A 9 PHE CA A 9 PHE C A 10 ILE N 1.0 -61.5 -18.5 PSI 21 21 A 9 PHE C A 10 ILE N A 10 ILE CA A 10 ILE C 1.0 -95.1 -43.1 PHI 22 22 A 10 ILE N A 10 ILE CA A 10 ILE C A 11 GLU N 1.0 -64.9 -24.9 PSI 23 23 A 10 ILE C A 11 GLU N A 11 GLU CA A 11 GLU C 1.0 -92.4 -52.4 PHI 24 24 A 11 GLU N A 11 GLU CA A 11 GLU C A 12 GLY N 1.0 -59.1 -19.1 PSI 25 25 A 13 GLY C A 14 TRP N A 14 TRP CA A 14 TRP C 1.0 -76.5 -36.5 PHI 26 26 A 14 TRP N A 14 TRP CA A 14 TRP C A 15 THR N 1.0 -63.5 -17.3 PSI 27 27 A 14 TRP C A 15 THR N A 15 THR CA A 15 THR C 1.0 -82.5 -42.5 PHI 28 28 A 15 THR N A 15 THR CA A 15 THR C A 16 GLY N 1.0 -57.3 -15.9 PSI 29 29 A 16 GLY C A 17 MET N A 17 MET CA A 17 MET C 1.0 -81.8 -41.8 PHI 30 30 A 17 MET N A 17 MET CA A 17 MET C A 18 ILE N 1.0 -61.7 -21.7 PSI 31 31 A 17 MET C A 18 ILE N A 18 ILE CA A 18 ILE C 1.0 -81.2 -41.2 PHI 32 32 A 18 ILE N A 18 ILE CA A 18 ILE C A 19 ASP N 1.0 -65.5 -25.5 PSI 33 33 A 18 ILE C A 19 ASP N A 19 ASP CA A 19 ASP C 1.0 -82.8 -42.8 PHI 34 34 A 19 ASP N A 19 ASP CA A 19 ASP C A 20 GLY N 1.0 -60.9 -20.9 PSI 35 35 A 19 ASP C A 20 GLY N A 20 GLY CA A 20 GLY C 1.0 -87.4 -47.4 PHI 36 36 A 20 GLY N A 20 GLY CA A 20 GLY C A 21 TRP N 1.0 -56.8 -16.8 PSI 37 37 A 20 GLY C A 21 TRP N A 21 TRP CA A 21 TRP C 1.0 -85.2 -45.2 PHI 38 38 A 21 TRP N A 21 TRP CA A 21 TRP C A 22 TYR N 1.0 -60.7 -20.7 PSI 39 39 A 21 TRP C A 22 TYR N A 22 TYR CA A 22 TYR C 1.0 -87.0 -47.0 PHI 40 40 A 22 TYR N A 22 TYR CA A 22 TYR C A 23 GLY N 1.0 -66.8 6.8 PSI stop_ save_ save_CNS/XPLOR_dipolar_coupling_2 _nef_rdc_restraint_list.sf_category nef_rdc_restraint_list _nef_rdc_restraint_list.sf_framecode CNS/XPLOR_dipolar_coupling_2 _nef_rdc_restraint_list.potential_type parabolic _nef_rdc_restraint_list.restraint_origin . loop_ _nef_rdc_restraint.index _nef_rdc_restraint.restraint_id _nef_rdc_restraint.chain_code_1 _nef_rdc_restraint.sequence_code_1 _nef_rdc_restraint.residue_name_1 _nef_rdc_restraint.atom_name_1 _nef_rdc_restraint.chain_code_2 _nef_rdc_restraint.sequence_code_2 _nef_rdc_restraint.residue_name_2 _nef_rdc_restraint.atom_name_2 _nef_rdc_restraint.weight _nef_rdc_restraint.lower_limit _nef_rdc_restraint.upper_limit _nef_rdc_restraint.scale 1 1 A 3 PHE N A 3 PHE H 1.0 . . . 2 2 A 4 GLY N A 4 GLY H 1.0 . . . 3 3 A 5 ALA N A 5 ALA H 1.0 . . . 4 4 A 6 ILE N A 6 ILE H 1.0 . . . 5 5 A 7 ALA N A 7 ALA H 1.0 . . . 6 6 A 8 GLY N A 8 GLY H 1.0 . . . 7 7 A 9 PHE N A 9 PHE H 1.0 . . . 8 8 A 10 ILE N A 10 ILE H 1.0 . . . 9 9 A 11 GLU N A 11 GLU H 1.0 . . . 10 10 A 12 GLY N A 12 GLY H 1.0 . . . 11 11 A 13 GLY N A 13 GLY H 1.0 . . . 12 12 A 14 TRP N A 14 TRP H 1.0 . . . 13 13 A 15 THR N A 15 THR H 1.0 . . . 14 14 A 16 GLY N A 16 GLY H 1.0 . . . 15 15 A 17 MET N A 17 MET H 1.0 . . . 16 16 A 18 ILE N A 18 ILE H 1.0 . . . 17 17 A 19 ASP N A 19 ASP H 1.0 . . . 18 18 A 20 GLY N A 20 GLY H 1.0 . . . 19 19 A 21 TRP N A 21 TRP H 1.0 . . . 20 20 A 22 TYR N A 22 TYR H 1.0 . . . 21 21 A 23 GLY N A 23 GLY H 1.0 . . . 22 22 A 14 TRP NE1 A 14 TRP HE1 1.0 . . . 23 23 A 21 TRP NE1 A 21 TRP HE1 1.0 . . . 24 24 A 1 GLY CA A 1 GLY HA3 1.0 . . . 25 25 A 1 GLY CA A 1 GLY HA2 1.0 . . . 26 26 A 2 LEU CA A 2 LEU HA 1.0 . . . 27 27 A 3 PHE CA A 3 PHE HA 1.0 . . . 28 28 A 4 GLY CA A 4 GLY HA2 1.0 . . . 29 28 A 4 GLY CA A 4 GLY HA3 1.0 . . . 30 29 A 5 ALA CA A 5 ALA HA 1.0 . . . 31 30 A 6 ILE CA A 6 ILE HA 1.0 . . . 32 31 A 7 ALA CA A 7 ALA HA 1.0 . . . 33 32 A 8 GLY CA A 8 GLY HA2 1.0 . . . 34 32 A 8 GLY CA A 8 GLY HA3 1.0 . . . 35 33 A 9 PHE CA A 9 PHE HA 1.0 . . . 36 34 A 10 ILE CA A 10 ILE HA 1.0 . . . 37 35 A 11 GLU CA A 11 GLU HA 1.0 . . . 38 36 A 12 GLY CA A 12 GLY HA3 1.0 . . . 39 37 A 12 GLY CA A 12 GLY HA2 1.0 . . . 40 38 A 13 GLY CA A 13 GLY HA3 1.0 . . . 41 39 A 13 GLY CA A 13 GLY HA2 1.0 . . . 42 40 A 14 TRP CA A 14 TRP HA 1.0 . . . 43 41 A 15 THR CA A 15 THR HA 1.0 . . . 44 42 A 16 GLY CA A 16 GLY HA3 1.0 . . . 45 42 A 16 GLY CA A 16 GLY HA2 1.0 . . . 46 43 A 17 MET CA A 17 MET HA 1.0 . . . 47 44 A 18 ILE CA A 18 ILE HA 1.0 . . . 48 45 A 19 ASP CA A 19 ASP HA 1.0 . . . 49 46 A 20 GLY CA A 20 GLY HA2 1.0 . . . 50 46 A 20 GLY CA A 20 GLY HA3 1.0 . . . 51 47 A 21 TRP CA A 21 TRP HA 1.0 . . . 52 48 A 22 TYR CA A 22 TYR HA 1.0 . . . 53 49 A 23 GLY CA A 23 GLY HA2 1.0 . . . 54 49 A 23 GLY CA A 23 GLY HA3 1.0 . . . 55 50 A 5 ALA CA A 5 ALA CB 1.0 . . . 56 51 A 6 ILE CG1 A 6 ILE CD1 1.0 . . . 57 52 A 7 ALA CA A 7 ALA CB 1.0 . . . 58 53 A 10 ILE CG1 A 10 ILE CD1 1.0 . . . 59 54 A 18 ILE CG1 A 18 ILE CD1 1.0 . . . 60 55 A 18 ILE CB A 18 ILE CG2 1.0 . . . 61 56 A 1 GLY HA3 A 1 GLY HA2 1.0 . . . 62 57 A 12 GLY HA3 A 12 GLY HA2 1.0 . . . 63 58 A 13 GLY HA3 A 13 GLY HA2 1.0 . . . 64 59 A 3 PHE N A 3 PHE H 1.0 . . . 65 60 A 4 GLY N A 4 GLY H 1.0 . . . 66 61 A 5 ALA N A 5 ALA H 1.0 . . . 67 62 A 6 ILE N A 6 ILE H 1.0 . . . 68 63 A 7 ALA N A 7 ALA H 1.0 . . . 69 64 A 8 GLY N A 8 GLY H 1.0 . . . 70 65 A 10 ILE N A 10 ILE H 1.0 . . . 71 66 A 11 GLU N A 11 GLU H 1.0 . . . 72 67 A 12 GLY N A 12 GLY H 1.0 . . . 73 68 A 13 GLY N A 13 GLY H 1.0 . . . 74 69 A 14 TRP N A 14 TRP H 1.0 . . . 75 70 A 15 THR N A 15 THR H 1.0 . . . 76 71 A 16 GLY N A 16 GLY H 1.0 . . . 77 72 A 17 MET N A 17 MET H 1.0 . . . 78 73 A 18 ILE N A 18 ILE H 1.0 . . . 79 74 A 19 ASP N A 19 ASP H 1.0 . . . 80 75 A 20 GLY N A 20 GLY H 1.0 . . . 81 76 A 21 TRP N A 21 TRP H 1.0 . . . 82 77 A 22 TYR N A 22 TYR H 1.0 . . . 83 78 A 23 GLY N A 23 GLY H 1.0 . . . 84 79 A 14 TRP NE1 A 14 TRP HE1 1.0 . . . 85 80 A 21 TRP NE1 A 21 TRP HE1 1.0 . . . 86 81 A 3 PHE N A 2 LEU C 1.0 . . . 87 82 A 4 GLY N A 3 PHE C 1.0 . . . 88 83 A 5 ALA N A 4 GLY C 1.0 . . . 89 84 A 6 ILE N A 5 ALA C 1.0 . . . 90 85 A 7 ALA N A 6 ILE C 1.0 . . . 91 86 A 8 GLY N A 7 ALA C 1.0 . . . 92 87 A 9 PHE N A 8 GLY C 1.0 . . . 93 88 A 10 ILE N A 9 PHE C 1.0 . . . 94 89 A 11 GLU N A 10 ILE C 1.0 . . . 95 90 A 12 GLY N A 11 GLU C 1.0 . . . 96 91 A 13 GLY N A 12 GLY C 1.0 . . . 97 92 A 14 TRP N A 13 GLY C 1.0 . . . 98 93 A 15 THR N A 14 TRP C 1.0 . . . 99 94 A 16 GLY N A 15 THR C 1.0 . . . 100 95 A 17 MET N A 16 GLY C 1.0 . . . 101 96 A 18 ILE N A 17 MET C 1.0 . . . 102 97 A 19 ASP N A 18 ILE C 1.0 . . . 103 98 A 20 GLY N A 19 ASP C 1.0 . . . 104 99 A 21 TRP N A 20 GLY C 1.0 . . . 105 100 A 22 TYR N A 21 TRP C 1.0 . . . 106 101 A 23 GLY N A 22 TYR C 1.0 . . . 107 102 A 2 LEU CA A 2 LEU C 1.0 . . . 108 103 A 3 PHE CA A 3 PHE C 1.0 . . . 109 104 A 4 GLY CA A 4 GLY C 1.0 . . . 110 105 A 5 ALA CA A 5 ALA C 1.0 . . . 111 106 A 6 ILE CA A 6 ILE C 1.0 . . . 112 107 A 7 ALA CA A 7 ALA C 1.0 . . . 113 108 A 9 PHE CA A 9 PHE C 1.0 . . . 114 109 A 10 ILE CA A 10 ILE C 1.0 . . . 115 110 A 11 GLU CA A 11 GLU C 1.0 . . . 116 111 A 12 GLY CA A 12 GLY C 1.0 . . . 117 112 A 13 GLY CA A 13 GLY C 1.0 . . . 118 113 A 14 TRP CA A 14 TRP C 1.0 . . . 119 114 A 15 THR CA A 15 THR C 1.0 . . . 120 115 A 16 GLY CA A 16 GLY C 1.0 . . . 121 116 A 17 MET CA A 17 MET C 1.0 . . . 122 117 A 18 ILE CA A 18 ILE C 1.0 . . . 123 118 A 19 ASP CA A 19 ASP C 1.0 . . . 124 119 A 20 GLY CA A 20 GLY C 1.0 . . . 125 120 A 21 TRP CA A 21 TRP C 1.0 . . . 126 121 A 22 TYR CA A 22 TYR C 1.0 . . . 127 122 A 3 PHE H A 2 LEU C 1.0 . . . 128 123 A 4 GLY H A 3 PHE C 1.0 . . . 129 124 A 5 ALA H A 4 GLY C 1.0 . . . 130 125 A 6 ILE H A 5 ALA C 1.0 . . . 131 126 A 7 ALA H A 6 ILE C 1.0 . . . 132 127 A 8 GLY H A 7 ALA C 1.0 . . . 133 128 A 9 PHE H A 8 GLY C 1.0 . . . 134 129 A 10 ILE H A 9 PHE C 1.0 . . . 135 130 A 11 GLU H A 10 ILE C 1.0 . . . 136 131 A 12 GLY H A 11 GLU C 1.0 . . . 137 132 A 13 GLY H A 12 GLY C 1.0 . . . 138 133 A 14 TRP H A 13 GLY C 1.0 . . . 139 134 A 15 THR H A 14 TRP C 1.0 . . . 140 135 A 16 GLY H A 15 THR C 1.0 . . . 141 136 A 17 MET H A 16 GLY C 1.0 . . . 142 137 A 18 ILE H A 17 MET C 1.0 . . . 143 138 A 19 ASP H A 18 ILE C 1.0 . . . 144 139 A 20 GLY H A 19 ASP C 1.0 . . . 145 140 A 21 TRP H A 20 GLY C 1.0 . . . 146 141 A 22 TYR H A 21 TRP C 1.0 . . . 147 142 A 23 GLY H A 22 TYR C 1.0 . . . stop_ save_