data_nef_c16268_2ki9 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 ASP start . . 2 A 2 VAL middle . . 3 A 3 ARG middle . . 4 A 4 LEU middle . . 5 A 5 ALA middle . . 6 A 6 LYS middle . . 7 A 7 THR middle . . 8 A 8 LEU middle . . 9 A 9 GLY middle . false 10 A 10 LEU middle . . 11 A 11 VAL middle . . 12 A 12 LEU middle . . 13 A 13 ALA middle . . 14 A 14 VAL middle . . 15 A 15 LEU middle . . 16 A 16 LEU middle . . 17 A 17 ILE middle . . 18 A 18 CYS middle . . 19 A 19 TRP middle . . 20 A 20 PHE middle . . 21 A 21 PRO middle . false 22 A 22 VAL middle . . 23 A 23 LEU middle . . 24 A 24 ALA middle . . 25 A 25 LEU middle . . 26 A 26 MET middle . . 27 A 27 ALA middle . . 28 A 28 HIS middle . . 29 A 29 SER middle . . 30 A 30 LEU middle . . 31 A 31 ALA middle . . 32 A 32 THR middle . . 33 A 33 THR 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 ASP HA H 1 4.388 0.020 A 1 ASP HBy H 1 3.135 0.020 A 1 ASP HBx H 1 3.034 0.020 A 2 VAL H H 1 8.686 0.020 A 2 VAL HA H 1 4.058 0.020 A 2 VAL HB H 1 2.217 0.020 A 2 VAL HG1% H 1 1.092 0.020 A 2 VAL HG2% H 1 1.038 0.020 A 3 ARG H H 1 8.102 0.020 A 3 ARG HA H 1 4.060 0.020 A 3 ARG HBx H 1 1.923 0.020 A 3 ARG HBy H 1 1.975 0.020 A 3 ARG HDy H 1 3.265 0.020 A 3 ARG HDx H 1 3.224 0.020 A 3 ARG HE H 1 7.520 0.020 A 3 ARG HGx H 1 1.670 0.020 A 3 ARG HGy H 1 1.750 0.020 A 4 LEU H H 1 7.956 0.020 A 4 LEU HA H 1 4.211 0.020 A 4 LEU HBx H 1 1.700 0.020 A 4 LEU HBy H 1 1.806 0.020 A 4 LEU HD1% H 1 0.977 0.020 A 4 LEU HD2% H 1 0.977 0.020 A 5 ALA H H 1 7.815 0.020 A 5 ALA HA H 1 4.080 0.020 A 5 ALA HB% H 1 1.528 0.020 A 6 LYS H H 1 8.331 0.020 A 6 LYS HA H 1 4.148 0.020 A 6 LYS HBx H 1 1.945 0.020 A 6 LYS HBy H 1 1.969 0.020 A 6 LYS HDx H 1 1.656 0.020 A 6 LYS HDy H 1 1.707 0.020 A 6 LYS HE2 H 1 2.970 0.020 A 6 LYS HE3 H 1 2.970 0.020 A 6 LYS HGy H 1 1.408 0.020 A 6 LYS HGx H 1 1.273 0.020 A 7 THR H H 1 7.897 0.020 A 7 THR HA H 1 4.397 0.020 A 7 THR HB H 1 4.050 0.020 A 7 THR HG2% H 1 1.274 0.020 A 8 LEU H H 1 8.449 0.020 A 8 LEU HBy H 1 1.789 0.020 A 8 LEU HBx H 1 1.628 0.020 A 8 LEU HD1% H 1 0.890 0.020 A 8 LEU HD2% H 1 0.992 0.020 A 8 LEU HG H 1 1.527 0.020 A 9 GLY H H 1 8.015 0.020 A 9 GLY HAx H 1 3.819 0.020 A 9 GLY HAy H 1 3.874 0.020 A 10 LEU H H 1 7.608 0.020 A 10 LEU HA H 1 4.306 0.020 A 10 LEU HBy H 1 1.907 0.020 A 10 LEU HBx H 1 1.828 0.020 A 10 LEU HD1% H 1 0.877 0.020 A 10 LEU HD2% H 1 0.951 0.020 A 11 VAL H H 1 7.919 0.020 A 11 VAL HA H 1 3.583 0.020 A 11 VAL HB H 1 2.241 0.020 A 11 VAL HG1% H 1 1.083 0.020 A 11 VAL HG2% H 1 0.948 0.020 A 12 LEU H H 1 8.284 0.020 A 12 LEU HA H 1 4.097 0.020 A 12 LEU HBy H 1 1.822 0.020 A 12 LEU HBx H 1 1.614 0.020 A 12 LEU HD1% H 1 0.888 0.020 A 12 LEU HD2% H 1 0.964 0.020 A 13 ALA H H 1 7.639 0.020 A 13 ALA HA H 1 4.094 0.020 A 13 ALA HB% H 1 1.583 0.020 A 14 VAL H H 1 8.068 0.020 A 14 VAL HA H 1 3.680 0.020 A 14 VAL HB H 1 2.303 0.020 A 14 VAL HG1% H 1 1.100 0.020 A 14 VAL HG2% H 1 0.957 0.020 A 15 LEU H H 1 8.389 0.020 A 15 LEU HA H 1 4.111 0.020 A 15 LEU HBy H 1 1.983 0.020 A 15 LEU HBx H 1 1.897 0.020 A 15 LEU HD1% H 1 0.875 0.020 A 15 LEU HD2% H 1 0.829 0.020 A 15 LEU HG H 1 1.482 0.020 A 16 LEU H H 1 8.354 0.020 A 16 LEU HA H 1 4.210 0.020 A 16 LEU HBy H 1 1.970 0.020 A 16 LEU HBx H 1 1.658 0.020 A 16 LEU HD1% H 1 0.888 0.020 A 16 LEU HD2% H 1 0.967 0.020 A 16 LEU HG H 1 1.400 0.020 A 17 ILE H H 1 8.214 0.020 A 17 ILE HA H 1 3.908 0.020 A 17 ILE HB H 1 2.085 0.020 A 17 ILE HD1% H 1 0.879 0.020 A 17 ILE HG12 H 1 1.213 0.020 A 17 ILE HG13 H 1 1.213 0.020 A 17 ILE HG2% H 1 0.978 0.020 A 18 CYS H H 1 8.246 0.020 A 18 CYS HA H 1 4.289 0.020 A 18 CYS HBx H 1 2.673 0.020 A 18 CYS HBy H 1 3.033 0.020 A 19 TRP H H 1 8.284 0.020 A 19 TRP HA H 1 4.872 0.020 A 19 TRP HBx H 1 3.309 0.020 A 19 TRP HBy H 1 3.423 0.020 A 19 TRP HD1 H 1 7.181 0.020 A 19 TRP HE1 H 1 9.324 0.020 A 19 TRP HE3 H 1 7.563 0.020 A 19 TRP HH2 H 1 7.161 0.020 A 19 TRP HZ2 H 1 7.379 0.020 A 19 TRP HZ3 H 1 7.074 0.020 A 20 PHE H H 1 8.548 0.020 A 20 PHE HA H 1 4.513 0.020 A 20 PHE HBy H 1 3.459 0.020 A 20 PHE HBx H 1 3.223 0.020 A 20 PHE HD1 H 1 7.216 0.020 A 20 PHE HD2 H 1 7.216 0.020 A 20 PHE HE1 H 1 7.278 0.020 A 20 PHE HE2 H 1 7.278 0.020 A 21 PRO HA H 1 4.215 0.020 A 21 PRO HBy H 1 2.140 0.020 A 21 PRO HBx H 1 1.995 0.020 A 21 PRO HD2 H 1 3.546 0.020 A 21 PRO HD3 H 1 3.546 0.020 A 21 PRO HGy H 1 1.812 0.020 A 21 PRO HGx H 1 1.711 0.020 A 22 VAL H H 1 7.204 0.020 A 22 VAL HA H 1 3.738 0.020 A 22 VAL HB H 1 2.266 0.020 A 22 VAL HG1% H 1 1.070 0.020 A 22 VAL HG2% H 1 1.008 0.020 A 23 LEU H H 1 7.848 0.020 A 23 LEU HA H 1 4.023 0.020 A 23 LEU HB2 H 1 1.709 0.020 A 23 LEU HB3 H 1 1.709 0.020 A 23 LEU HD1% H 1 0.908 0.020 A 23 LEU HD2% H 1 0.851 0.020 A 23 LEU HG H 1 1.492 0.020 A 24 ALA H H 1 8.296 0.020 A 24 ALA HA H 1 3.964 0.020 A 24 ALA HB% H 1 1.270 0.020 A 25 LEU H H 1 7.768 0.020 A 25 LEU HA H 1 4.160 0.020 A 25 LEU HBy H 1 1.920 0.020 A 25 LEU HBx H 1 1.777 0.020 A 25 LEU HD1% H 1 0.917 0.020 A 25 LEU HD2% H 1 0.917 0.020 A 26 MET H H 1 8.440 0.020 A 26 MET HA H 1 4.152 0.020 A 26 MET HBx H 1 2.120 0.020 A 26 MET HBy H 1 2.259 0.020 A 26 MET HGx H 1 2.569 0.020 A 26 MET HGy H 1 2.782 0.020 A 27 ALA H H 1 8.297 0.020 A 27 ALA HA H 1 4.183 0.020 A 27 ALA HB% H 1 1.408 0.020 A 28 HIS H H 1 7.753 0.020 A 28 HIS HA H 1 4.716 0.020 A 28 HIS HBx H 1 3.174 0.020 A 28 HIS HBy H 1 3.578 0.020 A 28 HIS HD2 H 1 7.431 0.020 A 28 HIS HE1 H 1 8.494 0.020 A 29 SER H H 1 7.834 0.020 A 29 SER HA H 1 4.599 0.020 A 29 SER HB2 H 1 4.045 0.020 A 29 SER HB3 H 1 4.045 0.020 A 30 LEU H H 1 8.548 0.020 A 30 LEU HA H 1 3.890 0.020 A 30 LEU HBy H 1 1.994 0.020 A 30 LEU HBx H 1 1.815 0.020 A 30 LEU HD1% H 1 0.891 0.020 A 30 LEU HD2% H 1 0.980 0.020 A 30 LEU HG H 1 1.490 0.020 A 31 ALA H H 1 8.494 0.020 A 31 ALA HA H 1 3.967 0.020 A 31 ALA HB% H 1 1.406 0.020 A 32 THR HG2% H 1 1.272 0.020 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 1 ASP HA A 1 ASP HBy 1.0 1.50 6.5 2 2 A 1 ASP HA A 1 ASP HBx 1.0 1.50 6.5 3 3 A 1 ASP HA A 2 VAL H 1.0 1.50 6.5 4 4 A 1 ASP HA A 2 VAL HB 1.0 1.50 6.5 5 5 A 1 ASP HA A 2 VAL HG1% 1.0 1.50 6.5 6 6 A 1 ASP HA A 2 VAL HG2% 1.0 1.50 6.5 7 7 A 1 ASP HA A 3 ARG H 1.0 1.50 6.5 8 8 A 1 ASP HA A 4 LEU H 1.0 1.50 6.5 9 9 A 1 ASP HA A 4 LEU HD1% 1.0 1.50 6.5 10 10 A 1 ASP HA A 8 LEU HD1% 1.0 1.50 6.5 11 11 A 1 ASP HBy A 1 ASP HBx 1.0 1.50 6.5 12 12 A 1 ASP HBy A 2 VAL H 1.0 1.50 6.5 13 13 A 1 ASP HBy A 2 VAL HB 1.0 1.50 6.5 14 14 A 1 ASP HBy A 2 VAL HG1% 1.0 1.50 6.5 15 15 A 1 ASP HBy A 2 VAL HG2% 1.0 1.50 6.5 16 16 A 1 ASP HBy A 3 ARG H 1.0 1.50 6.5 17 17 A 1 ASP HBy A 4 LEU H 1.0 1.50 6.5 18 18 A 1 ASP HBx A 2 VAL H 1.0 1.50 6.5 19 19 A 1 ASP HBx A 3 ARG H 1.0 1.50 6.5 20 20 A 1 ASP HBx A 3 ARG HGy 1.0 1.50 6.5 21 21 A 1 ASP HBx A 4 LEU H 1.0 1.50 6.5 22 22 A 1 ASP HBx A 4 LEU HD1% 1.0 1.50 6.5 23 23 A 1 ASP HBx A 8 LEU HD1% 1.0 1.50 6.5 24 24 A 2 VAL H A 2 VAL HB 1.0 1.50 6.5 25 25 A 2 VAL H A 2 VAL HG1% 1.0 1.50 6.5 26 26 A 2 VAL H A 2 VAL HG2% 1.0 1.50 6.5 27 27 A 2 VAL H A 3 ARG H 1.0 1.50 6.5 28 28 A 2 VAL H A 3 ARG HA 1.0 1.50 6.5 29 29 A 2 VAL H A 3 ARG HBx 1.0 1.50 6.5 30 30 A 2 VAL H A 3 ARG HBy 1.0 1.50 6.5 31 31 A 2 VAL H A 3 ARG HGx 1.0 1.50 6.5 32 32 A 2 VAL H A 4 LEU H 1.0 1.50 6.5 33 33 A 2 VAL H A 5 ALA H 1.0 1.50 6.5 34 34 A 2 VAL HB A 2 VAL HG2% 1.0 1.50 6.5 35 35 A 2 VAL HB A 3 ARG H 1.0 1.50 6.5 36 36 A 2 VAL HB A 3 ARG HA 1.0 1.50 6.5 37 37 A 2 VAL HB A 3 ARG HBy 1.0 1.50 6.5 38 38 A 2 VAL HB A 8 LEU HG 1.0 1.50 6.5 39 39 A 2 VAL HG1% A 3 ARG HGy 1.0 1.50 6.5 40 40 A 2 VAL HG1% A 8 LEU HG 1.0 1.50 6.5 41 41 A 2 VAL HG2% A 3 ARG H 1.0 1.50 6.5 42 42 A 2 VAL HG2% A 3 ARG HA 1.0 1.50 6.5 43 43 A 2 VAL HG2% A 3 ARG HGx 1.0 1.50 6.5 44 44 A 2 VAL HG2% A 3 ARG HE 1.0 1.50 6.5 45 45 A 2 VAL HG2% A 4 LEU H 1.0 1.50 6.5 46 46 A 3 ARG H A 3 ARG HA 1.0 1.50 6.5 47 47 A 3 ARG H A 3 ARG HBx 1.0 1.50 6.5 48 48 A 3 ARG H A 3 ARG HGx 1.0 1.50 6.5 49 49 A 3 ARG H A 3 ARG HGy 1.0 1.50 6.5 50 50 A 3 ARG H A 3 ARG HDy 1.0 1.50 6.5 51 51 A 3 ARG H A 3 ARG HDx 1.0 1.50 6.5 52 52 A 3 ARG H A 3 ARG HE 1.0 1.50 6.5 53 53 A 3 ARG H A 4 LEU H 1.0 1.50 6.5 54 54 A 3 ARG H A 4 LEU HA 1.0 1.50 6.5 55 55 A 3 ARG H A 5 ALA H 1.0 1.50 6.5 56 56 A 3 ARG H A 8 LEU HG 1.0 1.50 6.5 57 57 A 3 ARG HA A 8 LEU HG 1.0 1.50 6.5 58 58 A 3 ARG HBx A 3 ARG HDy 1.0 1.50 6.5 59 59 A 3 ARG HBx A 3 ARG HDx 1.0 1.50 6.5 60 60 A 3 ARG HBx A 3 ARG HE 1.0 1.50 6.5 61 61 A 3 ARG HBx A 8 LEU HG 1.0 1.50 6.5 62 62 A 3 ARG HBx A 8 LEU HD2% 1.0 1.50 6.5 63 63 A 3 ARG HBy A 3 ARG HDy 1.0 1.50 6.5 64 64 A 3 ARG HBy A 3 ARG HDx 1.0 1.50 6.5 65 65 A 3 ARG HBy A 3 ARG HE 1.0 1.50 6.5 66 66 A 3 ARG HBy A 7 THR H 1.0 1.50 6.5 67 67 A 3 ARG HGx A 3 ARG HDy 1.0 1.50 6.5 68 68 A 3 ARG HGx A 3 ARG HDx 1.0 1.50 6.5 69 69 A 3 ARG HGx A 3 ARG HE 1.0 1.50 6.5 70 70 A 3 ARG HGy A 3 ARG HDy 1.0 1.50 6.5 71 71 A 3 ARG HGy A 3 ARG HDx 1.0 1.50 6.5 72 72 A 3 ARG HGy A 3 ARG HE 1.0 1.50 6.5 73 73 A 3 ARG HGy A 7 THR HB 1.0 1.50 6.5 74 74 A 3 ARG HGy A 7 THR HG2% 1.0 1.50 6.5 75 75 A 3 ARG HE A 3 ARG HDy 1.0 1.50 6.5 76 76 A 3 ARG HDy A 7 THR HB 1.0 1.50 6.5 77 77 A 3 ARG HE A 3 ARG HDx 1.0 1.50 6.5 78 78 A 3 ARG HDx A 7 THR HB 1.0 1.50 6.5 79 79 A 3 ARG HDx A 7 THR HG2% 1.0 1.50 6.5 80 80 A 3 ARG HDx A 8 LEU HD2% 1.0 1.50 6.5 81 81 A 3 ARG HE A 7 THR HB 1.0 1.50 6.5 82 82 A 3 ARG HE A 11 VAL HG2% 1.0 1.50 6.5 83 83 A 4 LEU H A 4 LEU HA 1.0 1.50 6.5 84 84 A 4 LEU H A 4 LEU HBx 1.0 1.50 6.5 85 85 A 4 LEU H A 4 LEU HD1% 1.0 1.50 6.5 86 86 A 4 LEU H A 5 ALA H 1.0 1.50 6.5 87 87 A 4 LEU H A 6 LYS H 1.0 1.50 6.5 88 88 A 4 LEU H A 6 LYS HBx 1.0 1.50 6.5 89 89 A 4 LEU H A 7 THR HB 1.0 1.50 6.5 90 90 A 4 LEU H A 8 LEU HBy 1.0 1.50 6.5 91 91 A 4 LEU H A 8 LEU HG 1.0 1.50 6.5 92 92 A 4 LEU H A 8 LEU HD1% 1.0 1.50 6.5 93 93 A 4 LEU HA A 4 LEU HBx 1.0 1.50 6.5 94 94 A 5 ALA H A 4 LEU HA 1.0 1.50 6.5 95 95 A 4 LEU HA A 7 THR H 1.0 1.50 6.5 96 96 A 4 LEU HD1% A 4 LEU HBx 1.0 1.50 6.5 97 97 A 4 LEU HBx A 7 THR HA 1.0 1.50 6.5 98 98 A 4 LEU HD1% A 5 ALA H 1.0 1.50 6.5 99 99 A 5 ALA H A 5 ALA HA 1.0 1.50 6.5 100 100 A 5 ALA H A 6 LYS H 1.0 1.50 6.5 101 101 A 5 ALA H A 6 LYS HBy 1.0 1.50 6.5 102 102 A 5 ALA H A 7 THR H 1.0 1.50 6.5 103 103 A 5 ALA H A 8 LEU H 1.0 1.50 6.5 104 104 A 5 ALA H A 8 LEU HBy 1.0 1.50 6.5 105 105 A 5 ALA H A 8 LEU HG 1.0 1.50 6.5 106 106 A 8 LEU HD1% A 5 ALA H 1.0 1.50 6.5 107 107 A 8 LEU HG A 5 ALA HA 1.0 1.50 6.5 108 108 A 8 LEU HD1% A 5 ALA HA 1.0 1.50 6.5 109 109 A 6 LYS HBy A 5 ALA HB% 1.0 1.50 6.5 110 110 A 8 LEU H A 5 ALA HB% 1.0 1.50 6.5 111 111 A 5 ALA HB% A 9 GLY H 1.0 1.50 6.5 112 112 A 6 LYS H A 6 LYS HA 1.0 1.50 6.5 113 113 A 6 LYS H A 6 LYS HBx 1.0 1.50 6.5 114 114 A 6 LYS H A 6 LYS HE3 1.0 1.50 6.5 115 115 A 6 LYS H A 6 LYS HE2 1.0 1.50 6.5 116 116 A 7 THR H A 6 LYS H 1.0 1.50 6.5 117 117 A 6 LYS H A 7 THR HA 1.0 1.50 6.5 118 118 A 7 THR HB A 6 LYS H 1.0 1.50 6.5 119 119 A 6 LYS H A 8 LEU HBx 1.0 1.50 6.5 120 120 A 8 LEU HG A 6 LYS H 1.0 1.50 6.5 121 121 A 6 LYS H A 9 GLY H 1.0 1.50 6.5 122 122 A 6 LYS H A 9 GLY HAx 1.0 1.50 6.5 123 123 A 6 LYS HBy A 6 LYS HA 1.0 1.50 6.5 124 124 A 6 LYS HA A 6 LYS HDy 1.0 1.50 6.5 125 125 A 6 LYS HA A 6 LYS HE3 1.0 1.50 6.5 126 126 A 6 LYS HA A 6 LYS HE2 1.0 1.50 6.5 127 127 A 7 THR H A 6 LYS HA 1.0 1.50 6.5 128 128 A 9 GLY H A 6 LYS HA 1.0 1.50 6.5 129 129 A 6 LYS HA A 9 GLY HAy 1.0 1.50 6.5 130 130 A 6 LYS HA A 10 LEU H 1.0 1.50 6.5 131 131 A 7 THR H A 6 LYS HBx 1.0 1.50 6.5 132 132 A 6 LYS HBx A 7 THR HA 1.0 1.50 6.5 133 133 A 6 LYS HBy A 6 LYS HE3 1.0 1.50 6.5 134 134 A 6 LYS HBy A 6 LYS HE2 1.0 1.50 6.5 135 135 A 7 THR HB A 6 LYS HBy 1.0 1.50 6.5 136 136 A 7 THR HG2% A 6 LYS HBy 1.0 1.50 6.5 137 137 A 6 LYS HBy A 9 GLY HAy 1.0 1.50 6.5 138 138 A 6 LYS HGy A 6 LYS HGx 1.0 1.50 6.5 139 139 A 7 THR H A 6 LYS HGx 1.0 1.50 6.5 140 140 A 6 LYS HE3 A 6 LYS HDx 1.0 1.50 5.7 141 141 A 6 LYS HE2 A 6 LYS HDx 1.0 2.65 6.5 142 142 A 6 LYS HE3 A 6 LYS HDy 1.0 2.65 6.5 143 143 A 6 LYS HE2 A 6 LYS HDy 1.0 1.50 5.7 144 144 A 7 THR H A 6 LYS HDy 1.0 1.50 6.5 145 145 A 9 GLY H A 6 LYS HDy 1.0 1.50 6.5 146 146 A 6 LYS HDy A 10 LEU H 1.0 1.50 6.5 147 147 A 6 LYS HE3 A 10 LEU H 1.0 1.50 6.5 148 148 A 6 LYS HE2 A 10 LEU H 1.0 1.50 6.5 149 149 A 6 LYS HE3 A 10 LEU HBy 1.0 1.50 6.5 150 150 A 6 LYS HE2 A 10 LEU HBy 1.0 1.50 6.5 151 151 A 7 THR H A 7 THR HA 1.0 1.50 6.5 152 152 A 7 THR H A 7 THR HB 1.0 1.50 6.5 153 153 A 7 THR H A 8 LEU H 1.0 1.50 6.5 154 154 A 7 THR H A 8 LEU HBy 1.0 1.50 6.5 155 155 A 7 THR H A 8 LEU HBx 1.0 1.50 6.5 156 156 A 8 LEU HG A 7 THR H 1.0 1.50 6.5 157 157 A 7 THR H A 9 GLY H 1.0 1.50 6.5 158 158 A 7 THR HG2% A 7 THR HA 1.0 1.50 6.5 159 159 A 7 THR HA A 8 LEU H 1.0 1.50 6.5 160 160 A 8 LEU HBy A 7 THR HA 1.0 1.50 6.5 161 161 A 8 LEU HG A 7 THR HA 1.0 1.50 6.5 162 162 A 7 THR HA A 9 GLY H 1.0 1.50 6.5 163 163 A 7 THR HA A 10 LEU HBy 1.0 1.50 6.5 164 164 A 7 THR HA A 10 LEU HD1% 1.0 1.50 6.5 165 165 A 11 VAL HG2% A 7 THR HA 1.0 1.50 6.5 166 166 A 7 THR HB A 8 LEU HBx 1.0 1.50 6.5 167 167 A 7 THR HB A 10 LEU H 1.0 1.50 6.5 168 168 A 7 THR HB A 11 VAL H 1.0 1.50 6.5 169 169 A 7 THR HB A 11 VAL HG2% 1.0 1.50 6.5 170 170 A 7 THR HG2% A 8 LEU HBx 1.0 1.50 6.5 171 171 A 7 THR HG2% A 9 GLY H 1.0 1.50 6.5 172 172 A 7 THR HG2% A 10 LEU H 1.0 1.50 6.5 173 173 A 7 THR HG2% A 10 LEU HD1% 1.0 1.50 6.5 174 174 A 7 THR HG2% A 11 VAL H 1.0 1.50 6.5 175 175 A 7 THR HG2% A 11 VAL HG2% 1.0 1.50 6.5 176 176 A 8 LEU HG A 8 LEU H 1.0 1.50 6.5 177 177 A 8 LEU HD2% A 8 LEU H 1.0 1.50 6.5 178 178 A 8 LEU H A 9 GLY H 1.0 1.50 6.5 179 179 A 8 LEU H A 9 GLY HAy 1.0 1.50 6.5 180 180 A 8 LEU H A 9 GLY HAx 1.0 1.50 6.5 181 181 A 8 LEU H A 10 LEU H 1.0 1.50 6.5 182 182 A 8 LEU H A 10 LEU HD1% 1.0 1.50 6.5 183 183 A 8 LEU HBy A 8 LEU HBx 1.0 1.50 6.5 184 184 A 8 LEU HG A 8 LEU HBy 1.0 1.50 6.5 185 185 A 8 LEU HD1% A 8 LEU HBy 1.0 1.50 6.5 186 186 A 8 LEU HBy A 9 GLY H 1.0 1.50 6.5 187 187 A 8 LEU HBy A 11 VAL H 1.0 1.50 6.5 188 188 A 8 LEU HG A 8 LEU HBx 1.0 1.50 6.5 189 189 A 8 LEU HD1% A 8 LEU HBx 1.0 1.50 6.5 190 190 A 8 LEU HG A 8 LEU HD2% 1.0 1.50 6.5 191 191 A 8 LEU HG A 9 GLY H 1.0 1.50 6.5 192 192 A 8 LEU HG A 11 VAL HG2% 1.0 1.50 6.5 193 193 A 8 LEU HD1% A 9 GLY H 1.0 1.50 6.5 194 194 A 9 GLY H A 9 GLY HAy 1.0 1.50 6.5 195 195 A 9 GLY H A 9 GLY HAx 1.0 1.50 6.5 196 196 A 9 GLY H A 10 LEU H 1.0 1.50 6.5 197 197 A 9 GLY H A 10 LEU HA 1.0 1.50 6.5 198 198 A 9 GLY H A 10 LEU HBy 1.0 1.50 6.5 199 199 A 9 GLY H A 11 VAL H 1.0 1.50 6.5 200 200 A 9 GLY H A 11 VAL HB 1.0 1.50 6.5 201 201 A 9 GLY H A 12 LEU H 1.0 1.50 6.5 202 202 A 9 GLY H A 12 LEU HBy 1.0 1.50 6.5 203 203 A 9 GLY H A 12 LEU HBx 1.0 1.50 6.5 204 204 A 9 GLY H A 12 LEU HD1% 1.0 1.50 6.5 205 205 A 9 GLY H A 12 LEU HD2% 1.0 1.50 6.5 206 206 A 9 GLY HAx A 9 GLY HAy 1.0 1.50 6.5 207 207 A 9 GLY HAy A 10 LEU H 1.0 1.50 6.5 208 208 A 9 GLY HAy A 10 LEU HBy 1.0 1.50 6.5 209 209 A 9 GLY HAy A 10 LEU HBx 1.0 1.50 6.5 210 210 A 9 GLY HAy A 11 VAL H 1.0 1.50 6.5 211 211 A 9 GLY HAy A 12 LEU H 1.0 1.50 6.5 212 212 A 9 GLY HAy A 12 LEU HBy 1.0 1.50 6.5 213 213 A 9 GLY HAy A 12 LEU HBx 1.0 1.50 6.5 214 214 A 9 GLY HAy A 12 LEU HD1% 1.0 1.50 6.5 215 215 A 9 GLY HAy A 12 LEU HD2% 1.0 1.50 6.5 216 216 A 9 GLY HAy A 13 ALA HB% 1.0 1.50 6.5 217 217 A 9 GLY HAx A 10 LEU H 1.0 1.50 6.5 218 218 A 9 GLY HAx A 10 LEU HBy 1.0 1.50 6.5 219 219 A 9 GLY HAx A 11 VAL H 1.0 1.50 6.5 220 220 A 9 GLY HAx A 11 VAL HB 1.0 1.50 6.5 221 221 A 9 GLY HAx A 12 LEU HBx 1.0 1.50 6.5 222 222 A 9 GLY HAx A 12 LEU HD1% 1.0 1.50 6.5 223 223 A 9 GLY HAx A 13 ALA H 1.0 1.50 6.5 224 224 A 10 LEU H A 10 LEU HA 1.0 1.50 6.5 225 225 A 10 LEU H A 10 LEU HBy 1.0 1.50 6.5 226 226 A 10 LEU H A 11 VAL H 1.0 1.50 6.5 227 227 A 10 LEU H A 11 VAL HA 1.0 1.50 6.5 228 228 A 10 LEU H A 11 VAL HB 1.0 1.50 6.5 229 229 A 11 VAL HG2% A 10 LEU H 1.0 1.50 6.5 230 230 A 10 LEU H A 12 LEU HBy 1.0 1.50 6.5 231 231 A 10 LEU H A 14 VAL HG2% 1.0 1.50 6.5 232 232 A 11 VAL H A 10 LEU HA 1.0 1.50 6.5 233 233 A 10 LEU HA A 11 VAL HB 1.0 1.50 6.5 234 234 A 11 VAL HG2% A 10 LEU HA 1.0 1.50 6.5 235 235 A 10 LEU HA A 12 LEU HBy 1.0 1.50 6.5 236 236 A 10 LEU HA A 13 ALA H 1.0 1.50 6.5 237 237 A 10 LEU HA A 13 ALA HB% 1.0 1.50 6.5 238 238 A 10 LEU HA A 14 VAL H 1.0 1.50 6.5 239 239 A 10 LEU HBy A 10 LEU HBx 1.0 1.50 6.5 240 240 A 10 LEU HBx A 13 ALA H 1.0 1.50 6.5 241 241 A 10 LEU HBx A 14 VAL HA 1.0 1.50 6.5 242 242 A 10 LEU HBx A 15 LEU H 1.0 1.50 6.5 243 243 A 10 LEU HD1% A 14 VAL HG2% 1.0 1.50 6.5 244 244 A 11 VAL H A 11 VAL HA 1.0 1.50 6.5 245 245 A 11 VAL H A 11 VAL HB 1.0 1.50 6.5 246 246 A 11 VAL H A 11 VAL HG1% 1.0 1.50 6.5 247 247 A 11 VAL H A 12 LEU H 1.0 1.50 6.5 248 248 A 11 VAL H A 12 LEU HBy 1.0 1.50 6.5 249 249 A 11 VAL H A 12 LEU HBx 1.0 1.50 6.5 250 250 A 11 VAL H A 13 ALA HB% 1.0 1.50 6.5 251 251 A 11 VAL H A 14 VAL HG2% 1.0 1.50 6.5 252 252 A 11 VAL H A 15 LEU HBx 1.0 1.50 6.5 253 253 A 11 VAL HB A 11 VAL HA 1.0 1.50 6.5 254 254 A 11 VAL HA A 11 VAL HG1% 1.0 1.50 6.5 255 255 A 12 LEU HBy A 11 VAL HA 1.0 1.50 6.5 256 256 A 13 ALA H A 11 VAL HA 1.0 1.50 6.5 257 257 A 13 ALA HB% A 11 VAL HA 1.0 1.50 6.5 258 258 A 11 VAL HA A 14 VAL H 1.0 1.50 6.5 259 259 A 11 VAL HA A 14 VAL HB 1.0 1.50 6.5 260 260 A 11 VAL HA A 14 VAL HG2% 1.0 1.50 6.5 261 261 A 11 VAL HA A 15 LEU H 1.0 1.50 6.5 262 262 A 11 VAL HA A 15 LEU HD1% 1.0 1.50 6.5 263 263 A 11 VAL HA A 15 LEU HD2% 1.0 1.50 6.5 264 264 A 11 VAL HB A 12 LEU HA 1.0 1.50 6.5 265 265 A 11 VAL HB A 12 LEU HBx 1.0 1.50 6.5 266 266 A 11 VAL HB A 13 ALA H 1.0 1.50 6.5 267 267 A 11 VAL HB A 14 VAL HG2% 1.0 1.50 6.5 268 268 A 14 VAL H A 11 VAL HG1% 1.0 1.50 6.5 269 269 A 14 VAL HG2% A 11 VAL HG1% 1.0 1.50 6.5 270 270 A 11 VAL HG1% A 15 LEU HA 1.0 1.50 6.5 271 271 A 11 VAL HG1% A 15 LEU HD1% 1.0 1.50 6.5 272 272 A 11 VAL HG1% A 15 LEU HD2% 1.0 1.50 6.5 273 273 A 12 LEU H A 13 ALA H 1.0 1.50 6.5 274 274 A 12 LEU H A 13 ALA HB% 1.0 1.50 6.5 275 275 A 12 LEU H A 14 VAL H 1.0 1.50 6.5 276 276 A 12 LEU HBy A 13 ALA HA 1.0 1.50 6.5 277 277 A 12 LEU HBy A 13 ALA HB% 1.0 1.50 6.5 278 278 A 12 LEU HBy A 14 VAL H 1.0 1.50 6.5 279 279 A 12 LEU HBy A 15 LEU HD2% 1.0 1.50 6.5 280 280 A 12 LEU HBy A 16 LEU H 1.0 1.50 6.5 281 281 A 12 LEU HBx A 16 LEU HG 1.0 1.50 6.5 282 282 A 12 LEU HBx A 16 LEU HD1% 1.0 1.50 6.5 283 283 A 13 ALA H A 13 ALA HA 1.0 1.50 6.5 284 284 A 13 ALA HB% A 13 ALA H 1.0 1.50 6.5 285 285 A 13 ALA H A 14 VAL H 1.0 1.50 6.5 286 286 A 13 ALA H A 14 VAL HA 1.0 1.50 6.5 287 287 A 13 ALA H A 14 VAL HB 1.0 1.50 6.5 288 288 A 13 ALA H A 14 VAL HG1% 1.0 1.50 6.5 289 289 A 13 ALA H A 14 VAL HG2% 1.0 1.50 6.5 290 290 A 13 ALA H A 15 LEU H 1.0 1.50 6.5 291 291 A 13 ALA H A 15 LEU HD2% 1.0 1.50 6.5 292 292 A 13 ALA H A 16 LEU H 1.0 1.50 6.5 293 293 A 13 ALA H A 16 LEU HBy 1.0 1.50 6.5 294 294 A 13 ALA H A 16 LEU HD1% 1.0 1.50 6.5 295 295 A 13 ALA HB% A 13 ALA HA 1.0 1.50 6.5 296 296 A 14 VAL H A 13 ALA HA 1.0 1.50 6.5 297 297 A 13 ALA HA A 16 LEU H 1.0 1.50 6.5 298 298 A 13 ALA HA A 16 LEU HBy 1.0 1.50 6.5 299 299 A 13 ALA HA A 16 LEU HD2% 1.0 1.50 6.5 300 300 A 13 ALA HA A 17 ILE HB 1.0 1.50 6.5 301 301 A 13 ALA HB% A 14 VAL H 1.0 1.50 6.5 302 302 A 13 ALA HB% A 14 VAL HA 1.0 1.50 6.5 303 303 A 13 ALA HB% A 14 VAL HB 1.0 1.50 6.5 304 304 A 13 ALA HB% A 15 LEU H 1.0 1.50 6.5 305 305 A 13 ALA HB% A 16 LEU H 1.0 1.50 6.5 306 306 A 13 ALA HB% A 16 LEU HBy 1.0 1.50 6.5 307 307 A 13 ALA HB% A 17 ILE H 1.0 1.50 6.5 308 308 A 13 ALA HB% A 17 ILE HB 1.0 1.50 6.5 309 309 A 14 VAL H A 14 VAL HA 1.0 1.50 6.5 310 310 A 14 VAL H A 14 VAL HB 1.0 1.50 6.5 311 311 A 14 VAL HG2% A 14 VAL H 1.0 1.50 6.5 312 312 A 14 VAL H A 15 LEU H 1.0 1.50 6.5 313 313 A 14 VAL H A 15 LEU HBx 1.0 1.50 6.5 314 314 A 14 VAL H A 15 LEU HG 1.0 1.50 6.5 315 315 A 14 VAL H A 15 LEU HD2% 1.0 1.50 6.5 316 316 A 14 VAL H A 16 LEU HBy 1.0 1.50 6.5 317 317 A 14 VAL H A 16 LEU HD1% 1.0 1.50 6.5 318 318 A 14 VAL H A 17 ILE HB 1.0 1.50 6.5 319 319 A 14 VAL HA A 14 VAL HG1% 1.0 1.50 6.5 320 320 A 14 VAL HG2% A 14 VAL HA 1.0 1.50 6.5 321 321 A 14 VAL HA A 15 LEU H 1.0 1.50 6.5 322 322 A 14 VAL HA A 15 LEU HD2% 1.0 1.50 6.5 323 323 A 14 VAL HA A 16 LEU H 1.0 1.50 6.5 324 324 A 14 VAL HA A 16 LEU HBy 1.0 1.50 6.5 325 325 A 14 VAL HA A 17 ILE H 1.0 1.50 6.5 326 326 A 14 VAL HA A 17 ILE HB 1.0 1.50 6.5 327 327 A 14 VAL HA A 17 ILE HG13 1.0 1.50 6.5 328 328 A 14 VAL HA A 17 ILE HG2% 1.0 1.50 6.5 329 329 A 14 VAL HA A 18 CYS H 1.0 1.50 6.5 330 330 A 14 VAL HA A 18 CYS HG 1.0 1.50 6.5 331 331 A 14 VAL HB A 14 VAL HG1% 1.0 1.50 6.5 332 332 A 14 VAL HG2% A 14 VAL HB 1.0 1.50 6.5 333 333 A 15 LEU H A 14 VAL HB 1.0 1.50 6.5 334 334 A 14 VAL HB A 15 LEU HD2% 1.0 1.50 6.5 335 335 A 14 VAL HG2% A 14 VAL HG1% 1.0 1.50 6.5 336 336 A 15 LEU H A 14 VAL HG1% 1.0 1.50 6.5 337 337 A 16 LEU H A 14 VAL HG1% 1.0 1.50 6.5 338 338 A 14 VAL HG1% A 17 ILE H 1.0 1.50 6.5 339 339 A 14 VAL HG1% A 17 ILE HB 1.0 1.50 6.5 340 340 A 14 VAL HG1% A 18 CYS HA 1.0 1.50 6.5 341 341 A 14 VAL HG1% A 18 CYS HBx 1.0 1.50 6.5 342 342 A 14 VAL HG1% A 18 CYS HBy 1.0 1.50 6.5 343 343 A 14 VAL HG2% A 18 CYS HBx 1.0 1.50 6.5 344 344 A 15 LEU H A 15 LEU HA 1.0 1.50 6.5 345 345 A 15 LEU H A 15 LEU HBx 1.0 1.50 6.5 346 346 A 15 LEU H A 15 LEU HG 1.0 1.50 6.5 347 347 A 15 LEU H A 16 LEU HBy 1.0 1.50 6.5 348 348 A 15 LEU H A 17 ILE HB 1.0 1.50 6.5 349 349 A 15 LEU H A 18 CYS HBy 1.0 1.50 6.5 350 350 A 15 LEU H A 19 TRP HD1 1.0 1.50 6.5 351 351 A 15 LEU HA A 15 LEU HG 1.0 1.50 6.5 352 352 A 15 LEU HD2% A 15 LEU HA 1.0 1.50 6.5 353 353 A 15 LEU HA A 18 CYS HBy 1.0 1.50 6.5 354 354 A 15 LEU HA A 19 TRP HBx 1.0 1.50 6.5 355 355 A 15 LEU HA A 19 TRP HE3 1.0 1.50 6.5 356 356 A 15 LEU HA A 20 PHE H 1.0 1.50 6.5 357 357 A 17 ILE H A 15 LEU HBy 1.0 1.50 6.5 358 358 A 18 CYS HA A 15 LEU HBy 1.0 1.50 6.5 359 359 A 19 TRP HE3 A 15 LEU HBy 1.0 1.50 6.5 360 360 A 15 LEU HBx A 15 LEU HG 1.0 1.50 6.5 361 361 A 15 LEU HBx A 15 LEU HD1% 1.0 1.50 6.5 362 362 A 15 LEU HBx A 15 LEU HD2% 1.0 1.50 6.5 363 363 A 15 LEU HBx A 16 LEU H 1.0 1.50 6.5 364 364 A 15 LEU HBx A 17 ILE H 1.0 1.50 6.5 365 365 A 15 LEU HBx A 19 TRP HD1 1.0 1.50 6.5 366 366 A 15 LEU HD2% A 15 LEU HG 1.0 1.50 6.5 367 367 A 16 LEU H A 15 LEU HG 1.0 1.50 6.5 368 368 A 15 LEU HG A 16 LEU HA 1.0 1.50 6.5 369 369 A 16 LEU HBy A 15 LEU HG 1.0 1.50 6.5 370 370 A 16 LEU HG A 15 LEU HG 1.0 1.50 6.5 371 371 A 17 ILE H A 15 LEU HG 1.0 1.50 6.5 372 372 A 15 LEU HG A 18 CYS H 1.0 1.50 6.5 373 373 A 15 LEU HD1% A 19 TRP HA 1.0 1.50 6.5 374 374 A 15 LEU HD1% A 19 TRP HBx 1.0 1.50 6.5 375 375 A 15 LEU HD1% A 20 PHE HE% 1.0 1.50 6.5 376 376 A 15 LEU HD2% A 16 LEU H 1.0 1.50 6.5 377 377 A 15 LEU HD2% A 16 LEU HA 1.0 1.50 6.5 378 378 A 15 LEU HD2% A 16 LEU HBy 1.0 1.50 6.5 379 379 A 15 LEU HD2% A 16 LEU HG 1.0 1.50 6.5 380 380 A 15 LEU HD2% A 16 LEU HD2% 1.0 1.50 6.5 381 381 A 15 LEU HD2% A 18 CYS HBx 1.0 1.50 6.5 382 382 A 15 LEU HD2% A 19 TRP H 1.0 1.50 6.5 383 383 A 15 LEU HD2% A 19 TRP HA 1.0 1.50 6.5 384 384 A 15 LEU HD2% A 19 TRP HBx 1.0 1.50 6.5 385 385 A 15 LEU HD2% A 19 TRP HBy 1.0 1.50 6.5 386 386 A 15 LEU HD2% A 19 TRP HD1 1.0 1.50 6.5 387 387 A 15 LEU HD2% A 19 TRP HE1 1.0 1.50 6.5 388 388 A 16 LEU H A 16 LEU HA 1.0 1.50 6.5 389 389 A 16 LEU H A 16 LEU HBy 1.0 1.50 6.5 390 390 A 16 LEU H A 16 LEU HBx 1.0 1.50 6.5 391 391 A 16 LEU H A 16 LEU HG 1.0 1.50 6.5 392 392 A 16 LEU H A 16 LEU HD2% 1.0 1.50 6.5 393 393 A 16 LEU H A 17 ILE H 1.0 1.50 6.5 394 394 A 16 LEU H A 17 ILE HB 1.0 1.50 6.5 395 395 A 16 LEU H A 17 ILE HG2% 1.0 1.50 6.5 396 396 A 16 LEU H A 17 ILE HD1% 1.0 1.50 6.5 397 397 A 16 LEU H A 19 TRP H 1.0 1.50 6.5 398 398 A 16 LEU H A 19 TRP HD1 1.0 1.50 6.5 399 399 A 16 LEU HBy A 16 LEU HA 1.0 1.50 6.5 400 400 A 16 LEU HA A 16 LEU HBx 1.0 1.50 6.5 401 401 A 16 LEU HD2% A 16 LEU HA 1.0 1.50 6.5 402 402 A 17 ILE H A 16 LEU HA 1.0 1.50 6.5 403 403 A 16 LEU HA A 17 ILE HD1% 1.0 1.50 6.5 404 404 A 16 LEU HA A 19 TRP HE1 1.0 1.50 6.5 405 405 A 16 LEU HBy A 16 LEU HBx 1.0 1.50 6.5 406 406 A 16 LEU HBy A 16 LEU HD2% 1.0 1.50 6.5 407 407 A 16 LEU HBy A 17 ILE HB 1.0 1.50 6.5 408 408 A 16 LEU HBy A 17 ILE HD1% 1.0 1.50 6.5 409 409 A 16 LEU HBy A 18 CYS H 1.0 1.50 6.5 410 410 A 16 LEU HBy A 19 TRP H 1.0 1.50 6.5 411 411 A 17 ILE H A 16 LEU HBx 1.0 1.50 6.5 412 412 A 17 ILE HB A 16 LEU HBx 1.0 1.50 6.5 413 413 A 16 LEU HG A 16 LEU HD1% 1.0 1.50 6.5 414 414 A 16 LEU HD2% A 17 ILE HD1% 1.0 1.50 6.5 415 415 A 16 LEU HD2% A 19 TRP H 1.0 1.50 6.5 416 416 A 16 LEU HD2% A 19 TRP HBy 1.0 1.50 6.5 417 417 A 16 LEU HD2% A 19 TRP HD1 1.0 1.50 6.5 418 418 A 16 LEU HD2% A 19 TRP HE1 1.0 1.50 6.5 419 419 A 16 LEU HD2% A 19 TRP HZ2 1.0 1.50 6.5 420 420 A 17 ILE H A 17 ILE HA 1.0 1.50 6.5 421 421 A 17 ILE HB A 17 ILE H 1.0 1.50 6.5 422 422 A 17 ILE H A 17 ILE HG13 1.0 1.50 6.5 423 423 A 17 ILE H A 17 ILE HG2% 1.0 1.50 6.5 424 424 A 17 ILE H A 17 ILE HD1% 1.0 1.50 6.5 425 425 A 17 ILE H A 19 TRP HD1 1.0 1.50 6.5 426 426 A 17 ILE HB A 17 ILE HA 1.0 1.50 6.5 427 427 A 17 ILE HG13 A 17 ILE HA 1.0 1.50 6.5 428 428 A 18 CYS HA A 17 ILE HA 1.0 1.50 6.5 429 429 A 17 ILE HB A 17 ILE HG13 1.0 1.50 6.5 430 430 A 17 ILE HB A 17 ILE HG2% 1.0 1.50 6.5 431 431 A 17 ILE HB A 17 ILE HD1% 1.0 1.50 6.5 432 432 A 17 ILE HB A 18 CYS H 1.0 1.50 6.5 433 433 A 17 ILE HB A 18 CYS HA 1.0 1.50 6.5 434 434 A 17 ILE HG13 A 17 ILE HG2% 1.0 1.50 6.5 435 435 A 17 ILE HG13 A 17 ILE HD1% 1.0 1.50 6.5 436 436 A 17 ILE HG13 A 22 VAL HG1% 1.0 1.50 6.5 437 437 A 17 ILE HG2% A 18 CYS H 1.0 1.50 6.5 438 438 A 17 ILE HG2% A 18 CYS HA 1.0 1.50 6.5 439 439 A 17 ILE HG2% A 18 CYS HBx 1.0 1.50 6.5 440 440 A 17 ILE HG2% A 19 TRP HZ2 1.0 1.50 6.5 441 441 A 17 ILE HG2% A 19 TRP HH2 1.0 1.50 6.5 442 442 A 17 ILE HD1% A 19 TRP HZ2 1.0 1.50 6.5 443 443 A 17 ILE HD1% A 26 MET HGx 1.0 1.50 6.5 444 444 A 17 ILE HD1% A 26 MET HGy 1.0 1.50 6.5 445 445 A 18 CYS H A 18 CYS HA 1.0 1.50 6.5 446 446 A 18 CYS H A 18 CYS HBx 1.0 1.50 6.5 447 447 A 18 CYS H A 18 CYS HBy 1.0 1.50 6.5 448 448 A 18 CYS H A 19 TRP HD1 1.0 1.50 6.5 449 449 A 18 CYS H A 20 PHE H 1.0 1.50 6.5 450 450 A 18 CYS H A 22 VAL HB 1.0 1.50 6.5 451 451 A 18 CYS HA A 18 CYS HBx 1.0 1.50 6.5 452 452 A 18 CYS HA A 18 CYS HBy 1.0 1.50 6.5 453 453 A 18 CYS HA A 19 TRP H 1.0 1.50 6.5 454 454 A 18 CYS HA A 19 TRP HE3 1.0 1.50 6.5 455 455 A 18 CYS HA A 20 PHE H 1.0 1.50 6.5 456 456 A 18 CYS HA A 23 LEU HD2% 1.0 1.50 6.5 457 457 A 18 CYS HA A 26 MET HBy 1.0 1.50 6.5 458 458 A 18 CYS HBx A 18 CYS HBy 1.0 1.50 6.5 459 459 A 18 CYS HG A 18 CYS HBx 1.0 1.50 6.5 460 460 A 18 CYS HBx A 19 TRP H 1.0 1.50 6.5 461 461 A 18 CYS HBx A 19 TRP HA 1.0 1.50 6.5 462 462 A 18 CYS HBx A 19 TRP HH2 1.0 1.50 6.5 463 463 A 18 CYS HG A 18 CYS HBy 1.0 1.50 6.5 464 464 A 18 CYS HBy A 19 TRP H 1.0 1.50 6.5 465 465 A 18 CYS HBy A 20 PHE H 1.0 1.50 6.5 466 466 A 18 CYS HBy A 23 LEU HB3 1.0 1.50 6.5 467 467 A 19 TRP HA A 19 TRP H 1.0 1.50 6.5 468 468 A 19 TRP HBx A 19 TRP H 1.0 1.50 6.5 469 469 A 19 TRP H A 19 TRP HBy 1.0 1.50 6.5 470 470 A 19 TRP HD1 A 19 TRP H 1.0 1.50 6.5 471 471 A 19 TRP H A 19 TRP HE1 1.0 1.50 6.5 472 472 A 20 PHE H A 19 TRP H 1.0 1.50 6.5 473 473 A 19 TRP H A 20 PHE HA 1.0 1.50 6.5 474 474 A 19 TRP HBx A 19 TRP HA 1.0 1.50 6.5 475 475 A 19 TRP HA A 19 TRP HBy 1.0 1.50 6.5 476 476 A 19 TRP HA A 19 TRP HE1 1.0 1.50 6.5 477 477 A 19 TRP HE3 A 19 TRP HA 1.0 1.50 6.5 478 478 A 19 TRP HA A 19 TRP HZ3 1.0 1.50 6.5 479 479 A 20 PHE H A 19 TRP HA 1.0 1.50 6.5 480 480 A 19 TRP HA A 22 VAL HB 1.0 1.50 6.5 481 481 A 19 TRP HBx A 19 TRP HBy 1.0 1.50 6.5 482 482 A 19 TRP HBx A 19 TRP HE1 1.0 1.50 6.5 483 483 A 19 TRP HBx A 19 TRP HE3 1.0 1.50 6.5 484 484 A 19 TRP HBx A 19 TRP HZ3 1.0 1.50 6.5 485 485 A 19 TRP HBx A 20 PHE H 1.0 1.50 6.5 486 486 A 19 TRP HBx A 22 VAL H 1.0 1.50 6.5 487 487 A 19 TRP HBx A 22 VAL HB 1.0 1.50 6.5 488 488 A 19 TRP HBx A 22 VAL HG2% 1.0 1.50 6.5 489 489 A 19 TRP HBx A 23 LEU H 1.0 1.50 6.5 490 490 A 19 TRP HD1 A 19 TRP HBy 1.0 1.50 6.5 491 491 A 19 TRP HBy A 19 TRP HE1 1.0 1.50 6.5 492 492 A 19 TRP HE3 A 19 TRP HBy 1.0 1.50 6.5 493 493 A 19 TRP HBy A 19 TRP HZ3 1.0 1.50 6.5 494 494 A 19 TRP HBy A 21 PRO HGx 1.0 1.50 6.5 495 495 A 19 TRP HBy A 22 VAL HB 1.0 1.50 6.5 496 496 A 19 TRP HBy A 22 VAL HG2% 1.0 1.50 6.5 497 497 A 19 TRP HD1 A 19 TRP HE1 1.0 1.50 6.5 498 498 A 19 TRP HE1 A 19 TRP HZ2 1.0 1.50 6.5 499 499 A 19 TRP HE1 A 19 TRP HH2 1.0 1.50 6.5 500 500 A 19 TRP HE1 A 22 VAL HG1% 1.0 1.50 6.5 501 501 A 19 TRP HE3 A 19 TRP HZ2 1.0 1.50 6.5 502 502 A 19 TRP HE3 A 19 TRP HZ3 1.0 1.50 6.5 503 503 A 19 TRP HE3 A 19 TRP HH2 1.0 1.50 6.5 504 504 A 19 TRP HE3 A 20 PHE H 1.0 1.50 6.5 505 505 A 19 TRP HE3 A 20 PHE HA 1.0 1.50 6.5 506 506 A 19 TRP HE3 A 21 PRO HGy 1.0 1.50 6.5 507 507 A 19 TRP HE3 A 21 PRO HGx 1.0 1.50 6.5 508 508 A 19 TRP HE3 A 22 VAL HA 1.0 1.50 6.5 509 509 A 19 TRP HE3 A 22 VAL HG1% 1.0 1.50 6.5 510 510 A 19 TRP HE3 A 22 VAL HG2% 1.0 1.50 6.5 511 511 A 19 TRP HE3 A 23 LEU H 1.0 1.50 6.5 512 512 A 19 TRP HE3 A 23 LEU HD1% 1.0 1.50 6.5 513 513 A 19 TRP HE3 A 23 LEU HD2% 1.0 1.50 6.5 514 514 A 19 TRP HE3 A 24 ALA H 1.0 1.50 6.5 515 515 A 19 TRP HZ2 A 19 TRP HZ3 1.0 1.50 6.5 516 516 A 19 TRP HZ2 A 19 TRP HH2 1.0 1.50 6.5 517 517 A 19 TRP HZ2 A 22 VAL HG1% 1.0 1.50 6.5 518 518 A 19 TRP HZ2 A 22 VAL HG2% 1.0 1.50 6.5 519 519 A 19 TRP HZ2 A 26 MET HBy 1.0 1.50 6.5 520 520 A 19 TRP HH2 A 19 TRP HZ3 1.0 1.50 6.5 521 521 A 22 VAL HG1% A 19 TRP HZ3 1.0 1.50 6.5 522 522 A 19 TRP HZ3 A 22 VAL HG2% 1.0 1.50 6.5 523 523 A 23 LEU HD2% A 19 TRP HZ3 1.0 1.50 6.5 524 524 A 26 MET HBy A 19 TRP HZ3 1.0 1.50 6.5 525 525 A 20 PHE H A 19 TRP HH2 1.0 1.50 6.5 526 526 A 22 VAL HG1% A 19 TRP HH2 1.0 1.50 6.5 527 527 A 19 TRP HH2 A 23 LEU HG 1.0 1.50 6.5 528 528 A 20 PHE H A 20 PHE HA 1.0 1.50 6.5 529 529 A 20 PHE H A 20 PHE HBy 1.0 1.50 6.5 530 530 A 20 PHE H A 20 PHE HBx 1.0 1.50 6.5 531 531 A 20 PHE H A 20 PHE HE% 1.0 1.50 6.5 532 532 A 20 PHE H A 21 PRO HA 1.0 1.50 6.5 533 533 A 20 PHE H A 21 PRO HD2 1.0 1.50 6.5 534 534 A 20 PHE H A 21 PRO HD3 1.0 1.50 6.5 535 535 A 20 PHE H A 22 VAL H 1.0 1.50 6.5 536 536 A 20 PHE H A 22 VAL HG1% 1.0 1.50 6.5 537 537 A 20 PHE H A 23 LEU HB3 1.0 1.50 6.5 538 538 A 20 PHE H A 23 LEU HD2% 1.0 1.50 6.5 539 539 A 20 PHE HA A 20 PHE HBy 1.0 1.50 6.5 540 540 A 20 PHE HA A 20 PHE HBx 1.0 1.50 6.5 541 541 A 20 PHE HE% A 20 PHE HA 1.0 1.50 6.5 542 542 A 20 PHE HA A 21 PRO HBy 1.0 1.50 6.5 543 543 A 20 PHE HA A 21 PRO HBx 1.0 1.50 6.5 544 544 A 20 PHE HA A 21 PRO HD2 1.0 1.50 6.5 545 545 A 20 PHE HA A 21 PRO HD3 1.0 1.50 6.5 546 546 A 20 PHE HA A 22 VAL H 1.0 1.50 6.5 547 547 A 20 PHE HA A 23 LEU H 1.0 1.50 6.5 548 548 A 23 LEU HB3 A 20 PHE HA 1.0 1.50 6.5 549 549 A 20 PHE HA A 23 LEU HB2 1.0 1.50 6.5 550 550 A 20 PHE HA A 23 LEU HD1% 1.0 1.50 6.5 551 551 A 23 LEU HD2% A 20 PHE HA 1.0 1.50 6.5 552 552 A 20 PHE HBy A 20 PHE HBx 1.0 1.50 6.5 553 553 A 20 PHE HBy A 20 PHE HD% 1.0 1.50 6.5 554 554 A 20 PHE HE% A 20 PHE HBy 1.0 1.50 6.5 555 555 A 20 PHE HBy A 21 PRO HA 1.0 1.50 6.5 556 556 A 20 PHE HBy A 21 PRO HBy 1.0 1.50 6.5 557 557 A 20 PHE HBy A 21 PRO HBx 1.0 1.50 6.5 558 558 A 20 PHE HBy A 21 PRO HD2 1.0 1.65 6.5 559 559 A 20 PHE HBy A 21 PRO HD3 1.0 1.50 5.3 560 560 A 22 VAL H A 20 PHE HBy 1.0 1.50 6.5 561 561 A 23 LEU HD2% A 20 PHE HBy 1.0 1.50 6.5 562 562 A 20 PHE HBx A 20 PHE HD% 1.0 1.50 6.5 563 563 A 20 PHE HE% A 20 PHE HBx 1.0 1.50 6.5 564 564 A 20 PHE HBx A 21 PRO HA 1.0 1.50 6.5 565 565 A 20 PHE HBx A 21 PRO HBy 1.0 1.50 6.5 566 566 A 22 VAL H A 20 PHE HBx 1.0 1.50 6.5 567 567 A 20 PHE HE% A 20 PHE HD% 1.0 1.50 6.5 568 568 A 20 PHE HE% A 21 PRO HD3 1.0 1.50 6.5 569 569 A 21 PRO HA A 21 PRO HBy 1.0 1.50 6.5 570 570 A 21 PRO HGy A 21 PRO HA 1.0 1.50 6.5 571 571 A 21 PRO HA A 21 PRO HD2 1.0 1.50 6.5 572 572 A 21 PRO HA A 21 PRO HD3 1.0 1.50 6.5 573 573 A 22 VAL H A 21 PRO HA 1.0 1.50 6.5 574 574 A 21 PRO HA A 24 ALA HB% 1.0 1.50 6.5 575 575 A 21 PRO HD2 A 21 PRO HBy 1.0 1.50 6.5 576 576 A 21 PRO HD3 A 21 PRO HBy 1.0 1.50 6.5 577 577 A 22 VAL H A 21 PRO HBy 1.0 1.50 6.5 578 578 A 21 PRO HD2 A 21 PRO HBx 1.0 1.50 6.5 579 579 A 21 PRO HD3 A 21 PRO HBx 1.0 1.50 6.5 580 580 A 22 VAL H A 21 PRO HBx 1.0 1.50 6.5 581 581 A 21 PRO HGy A 21 PRO HD2 1.0 1.50 5.7 582 582 A 21 PRO HGy A 21 PRO HD3 1.0 2.65 6.5 583 583 A 22 VAL H A 21 PRO HGy 1.0 1.50 6.5 584 584 A 22 VAL HG1% A 21 PRO HGy 1.0 1.50 6.5 585 585 A 22 VAL H A 21 PRO HD2 1.0 1.50 6.5 586 586 A 22 VAL H A 21 PRO HD3 1.0 1.50 6.5 587 587 A 22 VAL HG1% A 21 PRO HD2 1.0 1.50 6.5 588 588 A 22 VAL H A 22 VAL HA 1.0 1.50 6.5 589 589 A 22 VAL HG1% A 22 VAL H 1.0 1.50 6.5 590 590 A 22 VAL H A 22 VAL HG2% 1.0 1.50 6.5 591 591 A 22 VAL H A 23 LEU H 1.0 1.50 6.5 592 592 A 22 VAL H A 23 LEU HA 1.0 1.50 6.5 593 593 A 23 LEU HB3 A 22 VAL H 1.0 1.50 6.5 594 594 A 22 VAL H A 23 LEU HB2 1.0 1.50 6.5 595 595 A 22 VAL H A 23 LEU HG 1.0 1.50 6.5 596 596 A 22 VAL H A 23 LEU HD1% 1.0 1.50 6.5 597 597 A 23 LEU HD2% A 22 VAL H 1.0 1.50 6.5 598 598 A 22 VAL H A 24 ALA H 1.0 1.50 6.5 599 599 A 22 VAL H A 24 ALA HB% 1.0 1.50 6.5 600 600 A 22 VAL H A 25 LEU H 1.0 1.50 6.5 601 601 A 26 MET HBy A 22 VAL H 1.0 1.50 6.5 602 602 A 22 VAL HG1% A 22 VAL HA 1.0 1.50 6.5 603 603 A 22 VAL HG2% A 22 VAL HA 1.0 1.50 6.5 604 604 A 23 LEU HB3 A 22 VAL HA 1.0 1.50 6.5 605 605 A 22 VAL HA A 23 LEU HB2 1.0 1.50 6.5 606 606 A 23 LEU HD2% A 22 VAL HA 1.0 1.50 6.5 607 607 A 22 VAL HA A 24 ALA HB% 1.0 1.50 6.5 608 608 A 22 VAL HA A 25 LEU H 1.0 1.50 6.5 609 609 A 22 VAL HA A 25 LEU HBy 1.0 1.50 6.5 610 610 A 22 VAL HA A 25 LEU HBx 1.0 1.50 6.5 611 611 A 22 VAL HA A 25 LEU HD1% 1.0 1.50 6.5 612 612 A 22 VAL HA A 26 MET H 1.0 1.50 6.5 613 613 A 26 MET HBy A 22 VAL HA 1.0 1.50 6.5 614 614 A 22 VAL HA A 27 ALA H 1.0 1.50 6.5 615 615 A 22 VAL HA A 29 SER HB3 1.0 1.50 6.5 616 616 A 22 VAL HA A 29 SER HB2 1.0 1.50 6.5 617 617 A 22 VAL HG1% A 22 VAL HG2% 1.0 1.50 6.5 618 618 A 22 VAL HG1% A 23 LEU HB3 1.0 1.50 6.5 619 619 A 22 VAL HG1% A 23 LEU HG 1.0 1.50 6.5 620 620 A 22 VAL HG1% A 25 LEU H 1.0 1.50 6.5 621 621 A 22 VAL HG1% A 25 LEU HBy 1.0 1.50 6.5 622 622 A 22 VAL HG1% A 25 LEU HBx 1.0 1.50 6.5 623 623 A 22 VAL HG1% A 26 MET H 1.0 1.50 6.5 624 624 A 22 VAL HG1% A 26 MET HBx 1.0 1.50 6.5 625 625 A 22 VAL HG1% A 26 MET HBy 1.0 1.50 6.5 626 626 A 22 VAL HG1% A 26 MET HGx 1.0 1.50 6.5 627 627 A 22 VAL HG1% A 26 MET HGy 1.0 1.50 6.5 628 628 A 22 VAL HG1% A 27 ALA H 1.0 1.50 6.5 629 629 A 22 VAL HG1% A 29 SER HB3 1.0 1.50 6.5 630 630 A 22 VAL HG1% A 29 SER HB2 1.0 1.50 6.5 631 631 A 22 VAL HG2% A 23 LEU HA 1.0 1.50 6.5 632 632 A 22 VAL HG2% A 24 ALA H 1.0 1.50 6.5 633 633 A 22 VAL HG2% A 25 LEU H 1.0 1.50 6.5 634 634 A 23 LEU H A 23 LEU HA 1.0 1.50 6.5 635 635 A 23 LEU HB3 A 23 LEU H 1.0 1.50 5.3 636 636 A 23 LEU H A 23 LEU HB2 1.0 1.65 6.5 637 637 A 23 LEU H A 23 LEU HG 1.0 1.50 6.5 638 638 A 23 LEU H A 23 LEU HD1% 1.0 1.50 6.5 639 639 A 23 LEU HD2% A 23 LEU H 1.0 1.50 6.5 640 640 A 23 LEU HB3 A 23 LEU HA 1.0 1.50 6.5 641 641 A 23 LEU HB2 A 23 LEU HA 1.0 1.50 6.5 642 642 A 23 LEU HG A 23 LEU HA 1.0 1.50 6.5 643 643 A 23 LEU HD1% A 23 LEU HA 1.0 1.50 6.5 644 644 A 23 LEU HD2% A 23 LEU HA 1.0 1.50 6.5 645 645 A 24 ALA HB% A 23 LEU HA 1.0 1.50 6.5 646 646 A 23 LEU HA A 26 MET HA 1.0 1.50 6.5 647 647 A 23 LEU HA A 26 MET HBx 1.0 1.50 6.5 648 648 A 26 MET HBy A 23 LEU HA 1.0 1.50 6.5 649 649 A 26 MET HGx A 23 LEU HA 1.0 1.50 6.5 650 650 A 26 MET HGy A 23 LEU HA 1.0 1.50 6.5 651 651 A 23 LEU HA A 27 ALA HA 1.0 1.50 6.5 652 652 A 23 LEU HA A 28 HIS H 1.0 1.50 6.5 653 653 A 23 LEU HB3 A 23 LEU HG 1.0 1.50 5.7 654 654 A 23 LEU HG A 23 LEU HB2 1.0 2.65 6.5 655 655 A 23 LEU HB3 A 23 LEU HD1% 1.0 1.65 6.5 656 656 A 23 LEU HD1% A 23 LEU HB2 1.0 1.50 5.3 657 657 A 23 LEU HD2% A 23 LEU HB3 1.0 1.50 6.5 658 658 A 23 LEU HD2% A 23 LEU HB2 1.0 1.50 6.5 659 659 A 23 LEU HB3 A 24 ALA HB% 1.0 1.50 6.5 660 660 A 23 LEU HB2 A 24 ALA HB% 1.0 1.50 6.5 661 661 A 23 LEU HB3 A 26 MET H 1.0 1.50 6.5 662 662 A 23 LEU HB2 A 26 MET H 1.0 1.50 6.5 663 663 A 23 LEU HB3 A 26 MET HBx 1.0 1.50 6.5 664 664 A 23 LEU HB2 A 26 MET HBx 1.0 1.50 6.5 665 665 A 26 MET HBy A 23 LEU HB3 1.0 1.50 6.5 666 666 A 26 MET HBy A 23 LEU HB2 1.0 1.50 6.5 667 667 A 23 LEU HB3 A 27 ALA H 1.0 1.50 6.5 668 668 A 23 LEU HB2 A 27 ALA H 1.0 1.50 6.5 669 669 A 23 LEU HD2% A 23 LEU HG 1.0 1.50 6.5 670 670 A 23 LEU HG A 24 ALA HB% 1.0 1.50 6.5 671 671 A 23 LEU HG A 25 LEU H 1.0 1.50 6.5 672 672 A 23 LEU HG A 26 MET HBx 1.0 1.50 6.5 673 673 A 26 MET HBy A 23 LEU HG 1.0 1.50 6.5 674 674 A 23 LEU HG A 27 ALA H 1.0 1.50 6.5 675 675 A 23 LEU HD2% A 23 LEU HD1% 1.0 1.50 6.5 676 676 A 23 LEU HD1% A 24 ALA HB% 1.0 1.50 6.5 677 677 A 23 LEU HD1% A 26 MET H 1.0 1.50 6.5 678 678 A 23 LEU HD1% A 27 ALA H 1.0 1.50 6.5 679 679 A 23 LEU HD2% A 24 ALA H 1.0 1.50 6.5 680 680 A 23 LEU HD2% A 24 ALA HB% 1.0 1.50 6.5 681 681 A 23 LEU HD2% A 25 LEU H 1.0 1.50 6.5 682 682 A 24 ALA HB% A 24 ALA HA 1.0 1.50 6.5 683 683 A 24 ALA HB% A 25 LEU HBy 1.0 1.50 6.5 684 684 A 24 ALA HB% A 25 LEU HBx 1.0 1.50 6.5 685 685 A 24 ALA HB% A 25 LEU HD1% 1.0 1.50 6.5 686 686 A 24 ALA HB% A 26 MET H 1.0 1.50 6.5 687 687 A 24 ALA HB% A 27 ALA H 1.0 1.50 6.5 688 688 A 24 ALA HB% A 28 HIS H 1.0 1.50 6.5 689 689 A 24 ALA HB% A 28 HIS HBy 1.0 1.50 6.5 690 690 A 24 ALA HB% A 28 HIS HD2 1.0 1.50 6.5 691 691 A 24 ALA HB% A 29 SER H 1.0 1.50 6.5 692 692 A 25 LEU HBy A 25 LEU HBx 1.0 1.50 6.5 693 693 A 25 LEU HBy A 25 LEU HD1% 1.0 1.50 6.5 694 694 A 25 LEU HBy A 26 MET H 1.0 1.50 6.5 695 695 A 25 LEU HBy A 26 MET HA 1.0 1.50 6.5 696 696 A 26 MET HBy A 25 LEU HBy 1.0 1.50 6.5 697 697 A 25 LEU HBy A 27 ALA H 1.0 1.50 6.5 698 698 A 25 LEU HBy A 28 HIS H 1.0 1.50 6.5 699 699 A 25 LEU HBy A 28 HIS HBy 1.0 1.50 6.5 700 700 A 25 LEU HBy A 29 SER HB3 1.0 1.50 6.5 701 701 A 25 LEU HBy A 29 SER HB2 1.0 1.50 6.5 702 702 A 25 LEU HBx A 26 MET H 1.0 1.50 6.5 703 703 A 25 LEU HBx A 26 MET HA 1.0 1.50 6.5 704 704 A 26 MET HGx A 25 LEU HBx 1.0 1.50 6.5 705 705 A 25 LEU HBx A 28 HIS H 1.0 1.50 6.5 706 706 A 25 LEU HBx A 28 HIS HBy 1.0 1.50 6.5 707 707 A 25 LEU HBx A 29 SER HB3 1.0 1.65 6.5 708 708 A 25 LEU HBx A 29 SER HB2 1.0 1.50 5.3 709 709 A 25 LEU HD1% A 26 MET H 1.0 1.50 6.5 710 710 A 25 LEU HD1% A 28 HIS H 1.0 1.50 6.5 711 711 A 25 LEU HD1% A 28 HIS HBx 1.0 1.50 6.5 712 712 A 25 LEU HD1% A 29 SER H 1.0 1.50 6.5 713 713 A 26 MET H A 26 MET HA 1.0 1.50 6.5 714 714 A 26 MET H A 26 MET HBx 1.0 1.50 6.5 715 715 A 26 MET HBy A 26 MET H 1.0 1.50 6.5 716 716 A 26 MET HGx A 26 MET H 1.0 1.50 6.5 717 717 A 26 MET HGy A 26 MET H 1.0 1.50 6.5 718 718 A 26 MET H A 27 ALA H 1.0 1.50 6.5 719 719 A 26 MET H A 27 ALA HB% 1.0 1.50 6.5 720 720 A 26 MET H A 28 HIS H 1.0 1.50 6.5 721 721 A 26 MET H A 29 SER H 1.0 1.50 6.5 722 722 A 26 MET H A 29 SER HB3 1.0 1.50 6.5 723 723 A 26 MET H A 29 SER HB2 1.0 1.50 6.5 724 724 A 26 MET HBx A 26 MET HA 1.0 1.50 6.5 725 725 A 26 MET HBy A 26 MET HA 1.0 1.50 6.5 726 726 A 26 MET HGx A 26 MET HA 1.0 1.50 6.5 727 727 A 26 MET HGy A 26 MET HA 1.0 1.50 6.5 728 728 A 27 ALA H A 26 MET HA 1.0 1.50 6.5 729 729 A 26 MET HA A 27 ALA HB% 1.0 1.50 6.5 730 730 A 26 MET HA A 28 HIS H 1.0 1.50 6.5 731 731 A 26 MET HA A 28 HIS HBy 1.0 1.50 6.5 732 732 A 26 MET HA A 30 LEU HD1% 1.0 1.50 6.5 733 733 A 26 MET HA A 31 ALA H 1.0 1.50 6.5 734 734 A 26 MET HBy A 26 MET HBx 1.0 1.50 6.5 735 735 A 26 MET HGx A 26 MET HBx 1.0 1.50 6.5 736 736 A 26 MET HGy A 26 MET HBx 1.0 1.50 6.5 737 737 A 27 ALA H A 26 MET HBx 1.0 1.50 6.5 738 738 A 26 MET HBx A 27 ALA HB% 1.0 1.50 6.5 739 739 A 26 MET HBx A 28 HIS H 1.0 1.50 6.5 740 740 A 26 MET HBx A 29 SER H 1.0 1.50 6.5 741 741 A 26 MET HBx A 30 LEU H 1.0 1.50 6.5 742 742 A 26 MET HBx A 30 LEU HBy 1.0 1.50 6.5 743 743 A 26 MET HBx A 30 LEU HBx 1.0 1.50 6.5 744 744 A 26 MET HGx A 26 MET HBy 1.0 1.50 6.5 745 745 A 26 MET HGy A 26 MET HBy 1.0 1.50 6.5 746 746 A 26 MET HBy A 27 ALA H 1.0 1.50 6.5 747 747 A 26 MET HBy A 27 ALA HB% 1.0 1.50 6.5 748 748 A 26 MET HBy A 28 HIS H 1.0 1.50 6.5 749 749 A 26 MET HBy A 29 SER H 1.0 1.50 6.5 750 750 A 26 MET HBy A 30 LEU H 1.0 1.50 6.5 751 751 A 26 MET HBy A 30 LEU HBx 1.0 1.50 6.5 752 752 A 26 MET HBy A 30 LEU HD1% 1.0 1.50 6.5 753 753 A 26 MET HGx A 26 MET HGy 1.0 1.50 6.5 754 754 A 26 MET HGx A 27 ALA H 1.0 1.50 6.5 755 755 A 26 MET HGx A 27 ALA HB% 1.0 1.50 6.5 756 756 A 26 MET HGx A 28 HIS H 1.0 1.50 6.5 757 757 A 26 MET HGx A 30 LEU HD2% 1.0 1.50 6.5 758 758 A 26 MET HGy A 27 ALA H 1.0 1.50 6.5 759 759 A 26 MET HGy A 28 HIS H 1.0 1.50 6.5 760 760 A 27 ALA H A 27 ALA HA 1.0 1.50 6.5 761 761 A 27 ALA H A 27 ALA HB% 1.0 1.50 6.5 762 762 A 27 ALA H A 28 HIS H 1.0 1.50 6.5 763 763 A 27 ALA H A 28 HIS HA 1.0 1.50 6.5 764 764 A 27 ALA H A 28 HIS HBx 1.0 1.50 6.5 765 765 A 27 ALA H A 28 HIS HBy 1.0 1.50 6.5 766 766 A 27 ALA H A 29 SER H 1.0 1.50 6.5 767 767 A 27 ALA H A 30 LEU HBx 1.0 1.50 6.5 768 768 A 27 ALA H A 31 ALA HA 1.0 1.50 6.5 769 769 A 27 ALA HA A 29 SER H 1.0 1.50 6.5 770 770 A 27 ALA HA A 30 LEU HD2% 1.0 1.50 6.5 771 771 A 27 ALA HA A 31 ALA HB% 1.0 1.50 6.5 772 772 A 28 HIS HBx A 27 ALA HB% 1.0 1.50 6.5 773 773 A 28 HIS HBy A 27 ALA HB% 1.0 1.50 6.5 774 774 A 28 HIS HD2 A 27 ALA HB% 1.0 1.50 6.5 775 775 A 28 HIS H A 28 HIS HA 1.0 1.50 6.5 776 776 A 28 HIS H A 28 HIS HBx 1.0 1.50 6.5 777 777 A 28 HIS H A 28 HIS HBy 1.0 1.50 6.5 778 778 A 28 HIS H A 28 HIS HD2 1.0 1.50 6.5 779 779 A 28 HIS H A 29 SER H 1.0 1.50 6.5 780 780 A 28 HIS H A 29 SER HA 1.0 1.50 6.5 781 781 A 28 HIS H A 31 ALA HA 1.0 1.50 6.5 782 782 A 28 HIS H A 31 ALA HB% 1.0 1.50 6.5 783 783 A 28 HIS HBx A 28 HIS HA 1.0 1.50 6.5 784 784 A 28 HIS HBy A 28 HIS HA 1.0 1.50 6.5 785 785 A 28 HIS HD2 A 28 HIS HA 1.0 1.50 6.5 786 786 A 29 SER H A 28 HIS HA 1.0 1.50 6.5 787 787 A 28 HIS HA A 31 ALA HB% 1.0 1.50 6.5 788 788 A 28 HIS HBy A 28 HIS HBx 1.0 1.50 6.5 789 789 A 28 HIS HD2 A 28 HIS HBx 1.0 1.50 6.5 790 790 A 29 SER H A 28 HIS HBx 1.0 1.50 6.5 791 791 A 28 HIS HBx A 31 ALA HA 1.0 1.50 6.5 792 792 A 28 HIS HBy A 28 HIS HD2 1.0 1.50 6.5 793 793 A 28 HIS HBy A 29 SER H 1.0 1.50 6.5 794 794 A 29 SER HB3 A 28 HIS HBy 1.0 1.50 6.5 795 795 A 29 SER HB2 A 28 HIS HBy 1.0 1.50 6.5 796 796 A 28 HIS HBy A 31 ALA HA 1.0 1.50 6.5 797 797 A 28 HIS HD2 A 28 HIS HE1 1.0 1.50 6.5 798 798 A 29 SER H A 29 SER HA 1.0 1.50 6.5 799 799 A 29 SER H A 30 LEU H 1.0 1.50 6.5 800 800 A 29 SER H A 30 LEU HA 1.0 1.50 6.5 801 801 A 29 SER H A 30 LEU HBx 1.0 1.50 6.5 802 802 A 29 SER H A 31 ALA HB% 1.0 1.50 6.5 803 803 A 29 SER HB3 A 30 LEU HA 1.0 1.50 6.5 804 804 A 29 SER HB2 A 30 LEU HA 1.0 1.50 6.5 805 805 A 29 SER HB3 A 30 LEU HBx 1.0 1.50 6.5 806 806 A 29 SER HB2 A 30 LEU HBx 1.0 1.50 6.5 807 807 A 30 LEU H A 30 LEU HA 1.0 1.50 6.5 808 808 A 30 LEU H A 30 LEU HBy 1.0 1.50 6.5 809 809 A 30 LEU H A 30 LEU HBx 1.0 1.50 6.5 810 810 A 30 LEU H A 30 LEU HG 1.0 1.50 6.5 811 811 A 30 LEU HD1% A 30 LEU H 1.0 1.50 6.5 812 812 A 30 LEU H A 30 LEU HD2% 1.0 1.50 6.5 813 813 A 30 LEU HBy A 30 LEU HA 1.0 1.50 6.5 814 814 A 30 LEU HBx A 30 LEU HA 1.0 1.50 6.5 815 815 A 30 LEU HD1% A 30 LEU HA 1.0 1.50 6.5 816 816 A 30 LEU HD2% A 30 LEU HA 1.0 1.50 6.5 817 817 A 31 ALA HA A 30 LEU HA 1.0 1.50 6.5 818 818 A 30 LEU HBy A 30 LEU HBx 1.0 1.50 6.5 819 819 A 30 LEU HBy A 30 LEU HG 1.0 1.50 6.5 820 820 A 30 LEU HD1% A 30 LEU HBx 1.0 1.50 6.5 821 821 A 30 LEU HBx A 30 LEU HD2% 1.0 1.50 6.5 822 822 A 30 LEU HD1% A 30 LEU HG 1.0 1.50 6.5 823 823 A 30 LEU HD2% A 30 LEU HG 1.0 1.50 6.5 824 824 A 30 LEU HD1% A 31 ALA H 1.0 1.50 6.5 825 825 A 30 LEU HD2% A 32 THR HG2% 1.0 1.50 6.5 826 826 A 31 ALA H A 31 ALA HA 1.0 1.50 6.5 827 827 A 31 ALA H A 31 ALA HB% 1.0 1.50 6.5 828 828 A 31 ALA H A 32 THR HG2% 1.0 1.50 6.5 829 829 A 31 ALA HA A 31 ALA HB% 1.0 1.50 6.5 830 830 A 31 ALA HA A 32 THR HG2% 1.0 1.50 6.5 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 LEU O A 12 LEU N 1.0 2.3 3.5 2 2 A 12 LEU H A 8 LEU O 1.0 1.8 3.0 3 3 A 9 GLY O A 13 ALA N 1.0 2.3 3.5 4 4 A 13 ALA H A 9 GLY O 1.0 1.8 3.0 5 5 A 10 LEU O A 14 VAL N 1.0 2.3 3.5 6 6 A 14 VAL H A 10 LEU O 1.0 1.8 3.0 7 7 A 11 VAL O A 15 LEU N 1.0 2.3 3.5 8 8 A 15 LEU H A 11 VAL O 1.0 1.8 3.0 9 9 A 12 LEU O A 16 LEU N 1.0 2.3 3.5 10 10 A 16 LEU H A 12 LEU O 1.0 1.8 3.0 11 11 A 13 ALA O A 17 ILE N 1.0 2.3 3.5 12 12 A 17 ILE H A 13 ALA O 1.0 1.8 3.0 13 13 A 14 VAL O A 18 CYS N 1.0 2.3 3.5 14 14 A 18 CYS H A 14 VAL O 1.0 1.8 3.0 15 15 A 23 LEU O A 27 ALA N 1.0 2.3 3.5 16 16 A 27 ALA H A 23 LEU O 1.0 1.8 3.0 17 17 A 24 ALA O A 28 HIS N 1.0 2.3 3.5 18 18 A 28 HIS H A 24 ALA O 1.0 1.8 3.0 19 19 A 25 LEU O A 29 SER N 1.0 2.3 3.5 20 20 A 29 SER H A 25 LEU O 1.0 1.8 3.0 21 21 A 26 MET O A 30 LEU N 1.0 2.3 3.5 22 22 A 30 LEU H A 26 MET O 1.0 1.8 3.0 stop_ save_