data_nef_c18022_2ll2 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 LYS start . . 2 A 2 GLY middle . false 3 A 3 VAL middle . . 4 A 4 LYS middle . . 5 A 5 ASP middle . . 6 A 6 ARG middle . . 7 A 7 VAL middle . . 8 A 8 LYS middle . . 9 A 9 GLY middle . false 10 A 10 LYS middle . . 11 A 11 SER middle . . 12 A 12 ASP middle . . 13 A 13 PRO middle . false 14 A 14 TYR middle . . 15 A 15 HIS middle . . 16 A 16 ALA middle . . 17 A 17 THR middle . . 18 A 18 SER middle . . 19 A 19 GLY middle . false 20 A 20 ALA middle . . 21 A 21 LEU middle . . 22 A 22 SER middle . . 23 A 23 PRO middle . false 24 A 24 ALA middle . . 25 A 25 LYS middle . . 26 A 26 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 LYS HA H 1 4.055 0.005 A 1 LYS HBx H 1 1.906 0.005 A 1 LYS HBy H 1 1.906 0.005 A 1 LYS HDx H 1 1.690 0.005 A 1 LYS HDy H 1 1.690 0.005 A 1 LYS HEx H 1 2.990 0.005 A 1 LYS HEy H 1 2.990 0.005 A 1 LYS HGx H 1 1.045 0.005 A 1 LYS HGy H 1 1.448 0.005 A 3 VAL H H 1 8.368 0.005 A 3 VAL HA H 1 4.067 0.005 A 3 VAL HB H 1 2.070 0.005 A 3 VAL HGx% H 1 0.927 0.005 A 3 VAL HGy% H 1 0.927 0.005 A 4 LYS H H 1 8.540 0.005 A 4 LYS HA H 1 4.277 0.005 A 4 LYS HBy H 1 1.809 0.005 A 4 LYS HBx H 1 1.748 0.005 A 4 LYS HDx H 1 1.660 0.005 A 4 LYS HDy H 1 1.660 0.005 A 4 LYS HEx H 1 2.972 0.005 A 4 LYS HEy H 1 2.972 0.005 A 4 LYS HGy H 1 1.430 0.005 A 4 LYS HGx H 1 1.395 0.005 A 5 ASP H H 1 8.242 0.005 A 5 ASP HA H 1 4.535 0.005 A 5 ASP HBy H 1 2.666 0.005 A 5 ASP HBx H 1 2.580 0.005 A 6 ARG H H 1 8.317 0.005 A 6 ARG HA H 1 4.289 0.005 A 6 ARG HBy H 1 1.817 0.005 A 6 ARG HBx H 1 1.740 0.005 A 6 ARG HDx H 1 3.166 0.005 A 6 ARG HDy H 1 3.166 0.005 A 6 ARG HE H 1 7.256 0.005 A 6 ARG HGx H 1 1.590 0.005 A 6 ARG HGy H 1 1.627 0.005 A 7 VAL H H 1 8.297 0.005 A 7 VAL HA H 1 4.033 0.005 A 7 VAL HB H 1 2.033 0.005 A 7 VAL HGx% H 1 0.919 0.005 A 7 VAL HGy% H 1 0.919 0.005 A 8 LYS H H 1 8.553 0.005 A 8 LYS HA H 1 4.267 0.005 A 8 LYS HBy H 1 1.810 0.005 A 8 LYS HBx H 1 1.750 0.005 A 8 LYS HDx H 1 1.666 0.005 A 8 LYS HDy H 1 1.666 0.005 A 8 LYS HEx H 1 2.970 0.005 A 8 LYS HEy H 1 2.970 0.005 A 8 LYS HGy H 1 1.430 0.005 A 8 LYS HGx H 1 1.407 0.005 A 9 GLY H H 1 8.543 0.005 A 9 GLY HAx H 1 3.922 0.005 A 9 GLY HAy H 1 3.973 0.005 A 10 LYS H H 1 8.306 0.005 A 10 LYS HA H 1 4.334 0.005 A 10 LYS HBx H 1 1.730 0.005 A 10 LYS HBy H 1 1.822 0.005 A 10 LYS HDx H 1 1.656 0.005 A 10 LYS HDy H 1 1.656 0.005 A 10 LYS HEx H 1 2.970 0.005 A 10 LYS HEy H 1 2.970 0.005 A 10 LYS HGx H 1 1.433 0.005 A 10 LYS HGy H 1 1.433 0.005 A 11 SER H H 1 8.486 0.005 A 11 SER HA H 1 4.430 0.005 A 11 SER HBx H 1 3.810 0.005 A 11 SER HBy H 1 3.810 0.005 A 12 ASP H H 1 8.486 0.005 A 12 ASP HA H 1 4.430 0.005 A 12 ASP HBx H 1 2.566 0.005 A 12 ASP HBy H 1 2.765 0.005 A 13 PRO HA H 1 4.327 0.005 A 13 PRO HBy H 1 2.160 0.005 A 13 PRO HBx H 1 1.918 0.005 A 13 PRO HDy H 1 3.811 0.005 A 13 PRO HDx H 1 3.711 0.005 A 13 PRO HGx H 1 1.618 0.005 A 13 PRO HGy H 1 1.728 0.005 A 14 TYR H H 1 8.306 0.005 A 14 TYR HA H 1 4.430 0.005 A 14 TYR HBx H 1 2.934 0.005 A 14 TYR HBy H 1 2.934 0.005 A 14 TYR HDx H 1 7.074 0.005 A 14 TYR HDy H 1 7.074 0.005 A 14 TYR HEx H 1 6.784 0.005 A 14 TYR HEy H 1 6.784 0.005 A 15 HIS H H 1 7.966 0.005 A 15 HIS HA H 1 4.550 0.005 A 15 HIS HBy H 1 3.177 0.005 A 15 HIS HBx H 1 3.034 0.005 A 15 HIS HD2 H 1 7.219 0.005 A 15 HIS HE1 H 1 8.455 0.005 A 16 ALA H H 1 8.401 0.005 A 16 ALA HA H 1 4.297 0.005 A 16 ALA HB% H 1 1.385 0.005 A 17 THR H H 1 8.327 0.005 A 17 THR HA H 1 4.364 0.005 A 17 THR HB H 1 4.268 0.005 A 17 THR HG2% H 1 1.200 0.005 A 18 SER H H 1 8.410 0.005 A 18 SER HA H 1 4.450 0.005 A 18 SER HBy H 1 3.890 0.005 A 18 SER HBx H 1 3.860 0.005 A 19 GLY H H 1 8.524 0.005 A 19 GLY HAx H 1 3.945 0.005 A 19 GLY HAy H 1 3.945 0.005 A 20 ALA H H 1 8.190 0.005 A 20 ALA HA H 1 4.279 0.005 A 20 ALA HB% H 1 1.356 0.005 A 21 LEU H H 1 8.358 0.005 A 21 LEU HA H 1 4.357 0.005 A 21 LEU HBx H 1 1.626 0.005 A 21 LEU HBy H 1 1.626 0.005 A 21 LEU HDx% H 1 0.901 0.005 A 21 LEU HDy% H 1 0.844 0.005 A 21 LEU HG H 1 1.556 0.005 A 22 SER H H 1 8.360 0.005 A 22 SER HA H 1 4.720 0.005 A 22 SER HBx H 1 3.780 0.005 A 22 SER HBy H 1 3.840 0.005 A 23 PRO HA H 1 4.399 0.005 A 23 PRO HBx H 1 2.270 0.005 A 23 PRO HBy H 1 2.270 0.005 A 23 PRO HDx H 1 3.687 0.005 A 23 PRO HDy H 1 3.781 0.005 A 23 PRO HGx H 1 1.903 0.005 A 23 PRO HGy H 1 1.985 0.005 A 24 ALA H H 1 8.455 0.005 A 24 ALA HA H 1 4.265 0.005 A 24 ALA HB% H 1 1.375 0.005 A 25 LYS H H 1 8.426 0.005 A 25 LYS HA H 1 4.317 0.005 A 25 LYS HBx H 1 1.723 0.005 A 25 LYS HBy H 1 1.840 0.005 A 25 LYS HDx H 1 1.656 0.005 A 25 LYS HDy H 1 1.656 0.005 A 25 LYS HGx H 1 1.427 0.005 A 25 LYS HGy H 1 1.427 0.005 A 26 ASP H H 1 8.029 0.005 A 26 ASP HA H 1 4.347 0.005 A 26 ASP HBy H 1 2.645 0.005 A 26 ASP HBx H 1 2.546 0.005 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 14 TYR H A 14 TYR HBy 1.0 1.8 3.432 2 1 A 14 TYR H A 14 TYR HBx 1.0 1.8 3.432 3 2 A 15 HIS H A 14 TYR HBy 1.0 1.8 4.169 4 2 A 14 TYR HBx A 15 HIS H 1.0 1.8 4.169 5 3 A 14 TYR HDy A 14 TYR HBy 1.0 1.8 3.090 6 3 A 14 TYR HBx A 14 TYR HDy 1.0 1.8 3.090 7 3 A 14 TYR HBx A 14 TYR HDx 1.0 1.8 3.090 8 3 A 14 TYR HDx A 14 TYR HBy 1.0 1.8 3.090 9 4 A 14 TYR HEx A 14 TYR HBy 1.0 1.8 3.794 10 4 A 14 TYR HBy A 14 TYR HEy 1.0 1.8 3.794 11 4 A 14 TYR HBx A 14 TYR HEy 1.0 1.8 3.794 12 4 A 14 TYR HBx A 14 TYR HEx 1.0 1.8 3.794 13 5 A 14 TYR HA A 14 TYR HDx 1.0 1.8 3.345 14 5 A 14 TYR HA A 14 TYR HDy 1.0 1.8 3.345 15 6 A 14 TYR HDy A 14 TYR HEy 1.0 1.8 2.472 16 6 A 14 TYR HEx A 14 TYR HDy 1.0 1.8 2.472 17 6 A 14 TYR HDx A 14 TYR HEy 1.0 1.8 2.472 18 6 A 14 TYR HDx A 14 TYR HEx 1.0 1.8 2.472 19 7 A 14 TYR HDy A 14 TYR HEy 1.0 1.8 2.364 20 7 A 14 TYR HEx A 14 TYR HDy 1.0 1.8 2.364 21 7 A 14 TYR HDx A 14 TYR HEy 1.0 1.8 2.364 22 7 A 14 TYR HDx A 14 TYR HEx 1.0 1.8 2.364 23 8 A 16 ALA H A 14 TYR HBy 1.0 1.8 5.300 24 8 A 14 TYR HBx A 16 ALA H 1.0 1.8 5.300 25 9 A 15 HIS HBy A 14 TYR HDx 1.0 1.8 4.887 26 9 A 15 HIS HBy A 14 TYR HDy 1.0 1.8 4.887 27 10 A 15 HIS HA A 14 TYR HDx 1.0 1.8 5.221 28 10 A 15 HIS HA A 14 TYR HDy 1.0 1.8 5.221 29 11 A 14 TYR H A 14 TYR HDx 1.0 1.8 3.926 30 11 A 14 TYR H A 14 TYR HDy 1.0 1.8 3.926 31 12 A 14 TYR H A 14 TYR HEx 1.0 1.8 5.148 32 12 A 14 TYR H A 14 TYR HEy 1.0 1.8 5.148 33 13 A 15 HIS H A 14 TYR HDx 1.0 1.8 4.413 34 13 A 15 HIS H A 14 TYR HDy 1.0 1.8 4.413 35 14 A 15 HIS H A 14 TYR HEx 1.0 1.8 5.328 36 14 A 15 HIS H A 14 TYR HEy 1.0 1.8 5.328 37 15 A 19 GLY H A 19 GLY HAx 1.0 1.8 2.952 38 15 A 19 GLY H A 19 GLY HAy 1.0 1.8 2.952 39 16 A 20 ALA H A 19 GLY HAx 1.0 1.8 2.951 40 16 A 19 GLY HAy A 20 ALA H 1.0 1.8 2.951 41 17 A 21 LEU H A 21 LEU HBy 1.0 1.8 3.020 42 17 A 21 LEU H A 21 LEU HBx 1.0 1.8 3.020 43 18 A 18 SER HA A 21 LEU HBy 1.0 1.8 5.666 44 18 A 21 LEU HBx A 18 SER HA 1.0 1.8 5.666 45 19 A 21 LEU HDy% A 21 LEU HBy 1.0 1.8 3.108 46 19 A 21 LEU HBx A 21 LEU HDy% 1.0 1.8 3.108 47 20 A 6 ARG H A 6 ARG HDx 1.0 1.8 4.348 48 20 A 6 ARG H A 6 ARG HDy 1.0 1.8 4.348 49 21 A 6 ARG HA A 6 ARG HDx 1.0 1.8 5.300 50 21 A 6 ARG HDy A 6 ARG HA 1.0 1.8 5.300 51 22 A 4 LYS H A 4 LYS HEx 1.0 1.8 5.357 52 22 A 4 LYS H A 4 LYS HEy 1.0 1.8 5.357 53 23 A 4 LYS H A 4 LYS HDy 1.0 1.8 4.176 54 23 A 4 LYS H A 4 LYS HDx 1.0 1.8 4.176 55 24 A 4 LYS H A 3 VAL HGx% 1.0 1.8 3.216 56 24 A 4 LYS H A 3 VAL HGy% 1.0 1.8 3.216 57 25 A 5 ASP H A 3 VAL HGx% 1.0 1.8 4.176 58 25 A 3 VAL HGy% A 5 ASP H 1.0 1.8 4.176 59 26 A 16 ALA H A 14 TYR HDx 1.0 1.8 5.483 60 26 A 16 ALA H A 14 TYR HDy 1.0 1.8 5.483 61 27 A 16 ALA H A 14 TYR HEx 1.0 1.8 5.300 62 27 A 16 ALA H A 14 TYR HEy 1.0 1.8 5.300 63 28 A 7 VAL H A 7 VAL HGx% 1.0 1.8 3.156 64 28 A 7 VAL H A 7 VAL HGy% 1.0 1.8 3.156 65 29 A 8 LYS H A 7 VAL HGx% 1.0 1.8 3.272 66 29 A 7 VAL HGy% A 8 LYS H 1.0 1.8 3.272 67 30 A 8 LYS H A 8 LYS HEx 1.0 1.8 5.059 68 30 A 8 LYS H A 8 LYS HEy 1.0 1.8 5.059 69 31 A 3 VAL H A 3 VAL HGx% 1.0 1.8 3.061 70 31 A 3 VAL HGy% A 3 VAL H 1.0 1.8 3.061 71 32 A 25 LYS H A 25 LYS HDy 1.0 1.8 5.080 72 32 A 25 LYS H A 25 LYS HDx 1.0 1.8 5.080 73 33 A 11 SER H A 11 SER HBx 1.0 1.8 3.051 74 33 A 11 SER H A 11 SER HBy 1.0 1.8 3.051 75 34 A 23 PRO HA A 23 PRO HBx 1.0 1.8 3.740 76 34 A 23 PRO HBy A 23 PRO HA 1.0 1.8 3.740 77 35 A 13 PRO HGx A 13 PRO HBy 1.0 1.8 4.014 78 35 A 13 PRO HGx A 13 PRO HBx 1.0 1.8 4.014 79 36 A 11 SER H A 10 LYS HDy 1.0 1.8 4.744 80 36 A 11 SER H A 10 LYS HDx 1.0 1.8 4.744 81 37 A 15 HIS HE1 A 7 VAL HGx% 1.0 1.8 5.172 82 37 A 7 VAL HGy% A 15 HIS HE1 1.0 1.8 5.172 83 38 A 13 PRO HA A 14 TYR HDy 1.0 1.8 4.715 84 38 A 13 PRO HA A 14 TYR HDx 1.0 1.8 4.715 85 39 A 4 LYS HA A 4 LYS HEx 1.0 1.8 4.804 86 39 A 4 LYS HEy A 4 LYS HA 1.0 1.8 4.804 87 40 A 21 LEU H A 19 GLY HAx 1.0 1.8 4.660 88 40 A 19 GLY HAy A 21 LEU H 1.0 1.8 4.660 89 41 A 15 HIS HD2 A 14 TYR HBy 1.0 1.8 5.080 90 41 A 14 TYR HBx A 15 HIS HD2 1.0 1.8 5.080 91 42 A 16 ALA HB% A 14 TYR HDx 1.0 1.8 4.744 92 42 A 16 ALA HB% A 14 TYR HDy 1.0 1.8 4.744 93 43 A 13 PRO HGy A 14 TYR HDx 1.0 1.8 5.221 94 43 A 13 PRO HGy A 14 TYR HDy 1.0 1.8 5.221 95 44 A 13 PRO HGx A 14 TYR HDx 1.0 1.8 4.687 96 44 A 13 PRO HGx A 14 TYR HDy 1.0 1.8 4.687 97 45 A 13 PRO HBx A 14 TYR HDx 1.0 1.8 5.247 98 45 A 13 PRO HBx A 14 TYR HDy 1.0 1.8 5.247 99 46 A 14 TYR HDx A 7 VAL HGx% 1.0 1.8 5.750 100 46 A 7 VAL HGy% A 14 TYR HDx 1.0 1.8 5.750 101 47 A 13 PRO HGx A 14 TYR HEy 1.0 1.8 5.102 102 47 A 13 PRO HGx A 14 TYR HEx 1.0 1.8 5.102 103 48 A 13 PRO HGy A 14 TYR HEx 1.0 1.8 5.450 104 48 A 13 PRO HGy A 14 TYR HEy 1.0 1.8 5.450 105 49 A 6 ARG HBx A 14 TYR HEx 1.0 1.8 5.707 106 49 A 6 ARG HBx A 14 TYR HEy 1.0 1.8 5.707 107 50 A 16 ALA HB% A 14 TYR HEx 1.0 1.8 4.687 108 50 A 16 ALA HB% A 14 TYR HEy 1.0 1.8 4.687 109 51 A 13 PRO HBx A 14 TYR HEx 1.0 1.8 5.080 110 51 A 13 PRO HBx A 14 TYR HEy 1.0 1.8 5.080 111 52 A 14 TYR HEx A 13 PRO HBy 1.0 1.8 5.552 112 52 A 13 PRO HBx A 14 TYR HEx 1.0 1.8 5.552 113 53 A 23 PRO HA A 23 PRO HBx 1.0 1.8 6.000 114 53 A 23 PRO HBy A 23 PRO HA 1.0 1.8 6.000 115 54 A 14 TYR HDx A 13 PRO HDy 1.0 1.8 5.038 116 54 A 13 PRO HDy A 14 TYR HDy 1.0 1.8 5.038 117 55 A 14 TYR HDx A 13 PRO HDx 1.0 1.8 5.517 118 55 A 13 PRO HDx A 14 TYR HDy 1.0 1.8 5.517 119 56 A 14 TYR HDx A 17 THR HB 1.0 1.8 5.891 120 56 A 17 THR HB A 14 TYR HDy 1.0 1.8 5.891 121 57 A 15 HIS H A 14 TYR HDx 1.0 1.8 4.789 122 57 A 15 HIS H A 14 TYR HDy 1.0 1.8 4.789 123 58 A 15 HIS HE1 A 14 TYR HDx 1.0 1.8 5.589 124 58 A 15 HIS HE1 A 14 TYR HDy 1.0 1.8 5.589 125 59 A 14 TYR HEx A 13 PRO HDy 1.0 1.8 5.247 126 59 A 13 PRO HDy A 14 TYR HEy 1.0 1.8 5.247 127 60 A 14 TYR HEx A 13 PRO HDx 1.0 1.8 5.842 128 60 A 13 PRO HDx A 14 TYR HEy 1.0 1.8 5.842 129 61 A 15 HIS H A 14 TYR HEx 1.0 1.8 5.627 130 61 A 15 HIS H A 14 TYR HEy 1.0 1.8 5.627 131 62 A 10 LYS HA A 10 LYS HEx 1.0 1.8 4.647 132 62 A 10 LYS HEy A 10 LYS HA 1.0 1.8 4.647 133 63 A 10 LYS HA A 10 LYS HEx 1.0 1.8 4.998 134 63 A 10 LYS HEy A 10 LYS HA 1.0 1.8 4.998 135 64 A 6 ARG HA A 6 ARG HDx 1.0 1.8 4.155 136 64 A 6 ARG HDy A 6 ARG HA 1.0 1.8 4.155 137 65 A 4 LYS HA A 3 VAL HGx% 1.0 1.8 3.402 138 65 A 3 VAL HGy% A 4 LYS HA 1.0 1.8 3.402 139 66 A 5 ASP HA A 3 VAL HGx% 1.0 1.8 4.998 140 66 A 3 VAL HGy% A 5 ASP HA 1.0 1.8 4.998 141 67 A 5 ASP HA A 7 VAL HGx% 1.0 1.8 5.018 142 67 A 7 VAL HGy% A 5 ASP HA 1.0 1.8 5.018 143 68 A 21 LEU HDx% A 21 LEU HBy 1.0 1.8 3.075 144 68 A 21 LEU HBx A 21 LEU HDx% 1.0 1.8 3.075 145 69 A 21 LEU HDy% A 21 LEU HBy 1.0 1.8 3.419 146 69 A 21 LEU HBx A 21 LEU HDy% 1.0 1.8 3.419 147 70 A 21 LEU HA A 21 LEU HBy 1.0 1.8 3.658 148 70 A 21 LEU HBx A 21 LEU HA 1.0 1.8 3.658 149 71 A 21 LEU H A 21 LEU HBy 1.0 1.8 3.386 150 71 A 21 LEU H A 21 LEU HBx 1.0 1.8 3.386 151 72 A 14 TYR HA A 14 TYR HBy 1.0 1.8 3.574 152 72 A 14 TYR HBx A 14 TYR HA 1.0 1.8 3.574 153 73 A 11 SER HA A 11 SER HBx 1.0 1.8 3.154 154 73 A 11 SER HBy A 11 SER HA 1.0 1.8 3.154 155 74 A 13 PRO HA A 13 PRO HBy 1.0 1.8 4.413 156 74 A 13 PRO HBx A 13 PRO HA 1.0 1.8 4.413 157 75 A 13 PRO HDy A 13 PRO HBy 1.0 1.8 5.273 158 75 A 13 PRO HBx A 13 PRO HDy 1.0 1.8 5.273 159 76 A 13 PRO HDx A 13 PRO HBy 1.0 1.8 4.870 160 76 A 13 PRO HBx A 13 PRO HDx 1.0 1.8 4.870 161 77 A 23 PRO HDy A 23 PRO HBx 1.0 1.8 5.517 162 77 A 23 PRO HBy A 23 PRO HDy 1.0 1.8 5.517 163 78 A 23 PRO HDx A 23 PRO HBx 1.0 1.8 4.978 164 78 A 23 PRO HBy A 23 PRO HDx 1.0 1.8 4.978 165 79 A 20 ALA H A 19 GLY HAx 1.0 1.8 3.356 166 79 A 19 GLY HAy A 20 ALA H 1.0 1.8 3.356 167 80 A 24 ALA H A 23 PRO HBx 1.0 1.8 4.773 168 80 A 23 PRO HBy A 24 ALA H 1.0 1.8 4.773 169 81 A 14 TYR H A 6 ARG HDx 1.0 1.8 4.505 170 81 A 14 TYR H A 6 ARG HDy 1.0 1.8 4.505 171 82 A 14 TYR H A 14 TYR HBy 1.0 1.8 3.715 172 82 A 14 TYR H A 14 TYR HBx 1.0 1.8 3.715 173 83 A 1 LYS HA A 1 LYS HBx 1.0 1.8 4.403 174 83 A 1 LYS HA A 1 LYS HBy 1.0 1.8 4.403 175 84 A 20 ALA HB% A 19 GLY HAx 1.0 1.8 4.204 176 84 A 19 GLY HAy A 20 ALA HB% 1.0 1.8 4.204 177 85 A 1 LYS HA A 1 LYS HDy 1.0 1.8 5.300 178 85 A 1 LYS HA A 1 LYS HDx 1.0 1.8 5.300 179 86 A 7 VAL HA A 7 VAL HGx% 1.0 1.8 3.191 180 86 A 7 VAL HGy% A 7 VAL HA 1.0 1.8 3.191 181 87 A 3 VAL HA A 3 VAL HGx% 1.0 1.8 3.181 182 87 A 3 VAL HGy% A 3 VAL HA 1.0 1.8 3.181 183 88 A 8 LYS HA A 7 VAL HGx% 1.0 1.8 4.538 184 88 A 7 VAL HGy% A 8 LYS HA 1.0 1.8 4.538 185 89 A 7 VAL HGy% A 8 LYS HEy 1.0 1.8 4.462 186 89 A 7 VAL HGy% A 8 LYS HEx 1.0 1.8 4.462 187 90 A 7 VAL HGy% A 6 ARG HDx 1.0 1.8 4.715 188 90 A 6 ARG HDy A 7 VAL HGy% 1.0 1.8 4.715 189 91 A 7 VAL HA A 8 LYS HEx 1.0 1.8 5.450 190 91 A 8 LYS HEy A 7 VAL HA 1.0 1.8 5.450 191 92 A 7 VAL HB A 7 VAL HGx% 1.0 1.8 2.969 192 92 A 7 VAL HGy% A 7 VAL HB 1.0 1.8 2.969 193 93 A 8 LYS HBx A 7 VAL HGx% 1.0 1.8 4.249 194 93 A 7 VAL HGy% A 8 LYS HBx 1.0 1.8 4.249 195 94 A 8 LYS HBy A 7 VAL HGx% 1.0 1.8 4.348 196 94 A 7 VAL HGy% A 8 LYS HBy 1.0 1.8 4.348 197 95 A 3 VAL HB A 3 VAL HGx% 1.0 1.8 2.938 198 95 A 3 VAL HGy% A 3 VAL HB 1.0 1.8 2.938 199 96 A 10 LYS HBy A 10 LYS HGy 1.0 1.8 3.366 200 96 A 10 LYS HBy A 10 LYS HGx 1.0 1.8 3.366 201 97 A 10 LYS HBx A 10 LYS HGy 1.0 1.8 3.398 202 97 A 10 LYS HGx A 10 LYS HBx 1.0 1.8 3.398 203 98 A 10 LYS HDx A 10 LYS HEx 1.0 1.8 2.634 204 98 A 10 LYS HDy A 10 LYS HEx 1.0 1.8 2.634 205 98 A 10 LYS HEy A 10 LYS HDy 1.0 1.8 2.634 206 98 A 10 LYS HDx A 10 LYS HEy 1.0 1.8 2.634 207 99 A 10 LYS HEy A 10 LYS HGy 1.0 1.8 3.178 208 99 A 10 LYS HEx A 10 LYS HGy 1.0 1.8 3.178 209 100 A 23 PRO HDy A 23 PRO HBx 1.0 1.8 5.102 210 100 A 23 PRO HBy A 23 PRO HDy 1.0 1.8 5.102 211 101 A 23 PRO HDx A 23 PRO HBx 1.0 1.8 4.804 212 101 A 23 PRO HBy A 23 PRO HDx 1.0 1.8 4.804 213 102 A 1 LYS HA A 1 LYS HBx 1.0 1.8 4.066 214 102 A 1 LYS HA A 1 LYS HBy 1.0 1.8 4.066 215 103 A 20 ALA HB% A 19 GLY HAx 1.0 1.8 4.190 216 103 A 19 GLY HAy A 20 ALA HB% 1.0 1.8 4.190 217 104 A 11 SER HA A 11 SER HBx 1.0 1.8 3.992 218 104 A 11 SER HBy A 11 SER HA 1.0 1.8 3.992 219 105 A 18 SER HA A 19 GLY HAx 1.0 1.8 4.413 220 105 A 19 GLY HAy A 18 SER HA 1.0 1.8 4.413 221 106 A 20 ALA HA A 19 GLY HAx 1.0 1.8 4.422 222 106 A 19 GLY HAy A 20 ALA HA 1.0 1.8 4.422 223 107 A 21 LEU HA A 19 GLY HAx 1.0 1.8 5.387 224 107 A 19 GLY HAy A 21 LEU HA 1.0 1.8 5.387 225 108 A 11 SER H A 11 SER HBx 1.0 1.8 3.277 226 108 A 11 SER H A 11 SER HBy 1.0 1.8 3.277 227 109 A 19 GLY H A 19 GLY HAx 1.0 1.8 3.281 228 109 A 19 GLY H A 19 GLY HAy 1.0 1.8 3.281 229 110 A 25 LYS H A 25 LYS HDy 1.0 1.8 4.904 230 110 A 25 LYS H A 25 LYS HDx 1.0 1.8 4.904 231 111 A 6 ARG HBx A 6 ARG HDx 1.0 1.8 3.987 232 111 A 6 ARG HDy A 6 ARG HBx 1.0 1.8 3.987 233 112 A 6 ARG HBy A 6 ARG HDx 1.0 1.8 3.698 234 112 A 6 ARG HDy A 6 ARG HBy 1.0 1.8 3.698 235 113 A 6 ARG HGx A 6 ARG HDx 1.0 1.8 3.597 236 113 A 6 ARG HDy A 6 ARG HGx 1.0 1.8 3.597 237 114 A 14 TYR HDy A 14 TYR HBy 1.0 1.8 3.299 238 114 A 14 TYR HBx A 14 TYR HDy 1.0 1.8 3.299 239 115 A 14 TYR HEx A 14 TYR HBy 1.0 1.8 4.322 240 115 A 14 TYR HBx A 14 TYR HEx 1.0 1.8 4.322 241 116 A 21 LEU H A 19 GLY HAx 1.0 1.8 5.102 242 116 A 19 GLY HAy A 21 LEU H 1.0 1.8 5.102 243 117 A 15 HIS HE1 A 14 TYR HDx 1.0 1.8 5.328 244 117 A 15 HIS HE1 A 14 TYR HDy 1.0 1.8 5.328 245 118 A 22 SER HBy A 19 GLY HAx 1.0 1.8 4.634 246 118 A 19 GLY HAy A 22 SER HBy 1.0 1.8 4.634 247 119 A 7 VAL HA A 11 SER HBx 1.0 1.8 5.387 248 119 A 11 SER HBy A 7 VAL HA 1.0 1.8 5.387 249 120 A 10 LYS HDx A 10 LYS HGx 1.0 1.8 2.295 250 120 A 10 LYS HGx A 10 LYS HDy 1.0 1.8 2.295 251 121 A 11 SER H A 10 LYS HEx 1.0 1.8 5.627 252 121 A 11 SER H A 10 LYS HEy 1.0 1.8 5.627 253 122 A 1 LYS HA A 1 LYS HDx 1.0 1.8 4.922 254 123 A 1 LYS HA A 1 LYS HGx 1.0 1.8 4.322 255 124 A 1 LYS HA A 1 LYS HGx 1.0 1.8 4.357 256 125 A 1 LYS HGx A 1 LYS HBx 1.0 1.8 3.861 257 126 A 1 LYS HGx A 1 LYS HBx 1.0 1.8 3.520 258 127 A 3 VAL HA A 3 VAL HB 1.0 1.8 4.060 259 128 A 3 VAL HA A 3 VAL HB 1.0 1.8 3.691 260 129 A 3 VAL H A 3 VAL HA 1.0 1.8 3.045 261 130 A 3 VAL H A 3 VAL HA 1.0 1.8 3.755 262 131 A 3 VAL H A 3 VAL HB 1.0 1.8 3.549 263 132 A 3 VAL H A 3 VAL HB 1.0 1.8 3.843 264 133 A 4 LYS H A 3 VAL HA 1.0 1.8 3.007 265 134 A 4 LYS H A 3 VAL HA 1.0 1.8 3.415 266 135 A 4 LYS H A 3 VAL HB 1.0 1.8 4.054 267 136 A 4 LYS H A 3 VAL HB 1.0 1.8 4.375 268 137 A 4 LYS H A 3 VAL H 1.0 1.8 3.926 269 138 A 4 LYS HA A 4 LYS HBx 1.0 1.8 3.166 270 139 A 4 LYS HA A 4 LYS HBy 1.0 1.8 3.191 271 140 A 4 LYS H A 4 LYS HBx 1.0 1.8 3.392 272 141 A 4 LYS H A 4 LYS HBy 1.0 1.8 3.323 273 142 A 4 LYS H A 4 LYS HGx 1.0 1.8 3.879 274 143 A 4 LYS H A 4 LYS HGy 1.0 1.8 3.848 275 144 A 5 ASP H A 3 VAL HA 1.0 1.8 5.221 276 145 A 4 LYS H A 5 ASP HA 1.0 1.8 4.978 277 146 A 5 ASP H A 4 LYS HA 1.0 1.8 3.902 278 147 A 5 ASP H A 4 LYS HBx 1.0 1.8 4.014 279 148 A 5 ASP H A 4 LYS HBx 1.0 1.8 4.357 280 149 A 5 ASP H A 4 LYS HBy 1.0 1.8 4.190 281 150 A 5 ASP H A 4 LYS HBy 1.0 1.8 4.348 282 151 A 5 ASP H A 4 LYS HDy 1.0 1.8 5.517 283 152 A 4 LYS HDx A 5 ASP H 1.0 1.8 5.018 284 153 A 4 LYS HDx A 5 ASP H 1.0 1.8 4.804 285 154 A 5 ASP H A 4 LYS HGx 1.0 1.8 4.887 286 155 A 5 ASP H A 4 LYS HGy 1.0 1.8 4.836 287 156 A 4 LYS H A 5 ASP H 1.0 1.8 3.926 288 157 A 5 ASP HA A 5 ASP HBx 1.0 1.8 3.533 289 158 A 5 ASP HA A 5 ASP HBy 1.0 1.8 3.603 290 159 A 5 ASP H A 5 ASP HA 1.0 1.8 3.400 291 160 A 5 ASP H A 5 ASP HBx 1.0 1.8 3.591 292 161 A 5 ASP H A 5 ASP HBx 1.0 1.8 3.691 293 162 A 5 ASP H A 5 ASP HBy 1.0 1.8 3.563 294 163 A 5 ASP H A 5 ASP HBy 1.0 1.8 3.835 295 164 A 6 ARG H A 4 LYS HA 1.0 1.8 2.838 296 165 A 6 ARG H A 4 LYS H 1.0 1.8 3.892 297 166 A 6 ARG HBy A 5 ASP HBx 1.0 1.8 5.627 298 167 A 6 ARG HBy A 5 ASP HBy 1.0 1.8 5.387 299 168 A 6 ARG H A 5 ASP HA 1.0 1.8 2.970 300 169 A 6 ARG H A 5 ASP HBx 1.0 1.8 4.141 301 170 A 6 ARG H A 5 ASP HBx 1.0 1.8 4.197 302 171 A 6 ARG H A 5 ASP HBy 1.0 1.8 4.249 303 172 A 6 ARG H A 5 ASP HBy 1.0 1.8 4.281 304 173 A 6 ARG H A 5 ASP H 1.0 1.8 3.526 305 174 A 6 ARG HBx A 6 ARG HDx 1.0 1.8 3.926 306 175 A 6 ARG HBy A 6 ARG HDx 1.0 1.8 4.042 307 176 A 6 ARG HGy A 6 ARG HDx 1.0 1.8 3.488 308 177 A 6 ARG HGx A 6 ARG HDx 1.0 1.8 3.549 309 178 A 6 ARG H A 6 ARG HA 1.0 1.8 2.788 310 179 A 6 ARG H A 6 ARG HBx 1.0 1.8 3.337 311 180 A 6 ARG H A 6 ARG HBy 1.0 1.8 3.213 312 181 A 6 ARG H A 6 ARG HGx 1.0 1.8 3.748 313 182 A 4 LYS HA A 7 VAL HB 1.0 1.8 4.452 314 183 A 7 VAL H A 4 LYS HA 1.0 1.8 2.908 315 184 A 7 VAL H A 5 ASP HA 1.0 1.8 3.976 316 185 A 5 ASP H A 7 VAL H 1.0 1.8 3.238 317 186 A 6 ARG HA A 7 VAL H 1.0 1.8 2.843 318 187 A 7 VAL H A 6 ARG HBx 1.0 1.8 3.557 319 188 A 7 VAL H A 6 ARG HBy 1.0 1.8 3.441 320 189 A 7 VAL H A 6 ARG HGx 1.0 1.8 3.888 321 190 A 6 ARG H A 7 VAL H 1.0 1.8 2.200 322 191 A 7 VAL HA A 7 VAL HB 1.0 1.8 4.103 323 192 A 7 VAL HA A 7 VAL HB 1.0 1.8 3.839 324 193 A 7 VAL H A 7 VAL HA 1.0 1.8 3.582 325 194 A 7 VAL H A 7 VAL HA 1.0 1.8 4.090 326 195 A 7 VAL H A 7 VAL HB 1.0 1.8 3.528 327 196 A 7 VAL H A 7 VAL HB 1.0 1.8 3.705 328 197 A 5 ASP HA A 8 LYS HBx 1.0 1.8 5.102 329 198 A 5 ASP HA A 8 LYS HBy 1.0 1.8 5.196 330 199 A 8 LYS H A 5 ASP HA 1.0 1.8 5.125 331 200 A 6 ARG HA A 8 LYS H 1.0 1.8 3.312 332 201 A 6 ARG H A 8 LYS H 1.0 1.8 3.916 333 202 A 8 LYS H A 7 VAL HA 1.0 1.8 3.195 334 203 A 8 LYS H A 7 VAL HB 1.0 1.8 4.031 335 204 A 8 LYS H A 7 VAL HB 1.0 1.8 4.413 336 205 A 7 VAL H A 8 LYS H 1.0 1.8 3.471 337 206 A 8 LYS H A 8 LYS HA 1.0 1.8 2.718 338 207 A 7 VAL HA A 9 GLY H 1.0 1.8 3.402 339 208 A 8 LYS HA A 9 GLY H 1.0 1.8 3.664 340 209 A 8 LYS HBx A 9 GLY H 1.0 1.8 3.483 341 210 A 8 LYS HBy A 9 GLY H 1.0 1.8 3.467 342 211 A 9 GLY H A 8 LYS HDy 1.0 1.8 5.273 343 212 A 9 GLY H A 8 LYS HDx 1.0 1.8 4.036 344 213 A 9 GLY H A 8 LYS HGx 1.0 1.8 4.183 345 214 A 9 GLY H A 8 LYS HGy 1.0 1.8 3.935 346 215 A 7 VAL HA A 10 LYS H 1.0 1.8 3.674 347 216 A 8 LYS HA A 10 LYS H 1.0 1.8 3.139 348 217 A 8 LYS H A 10 LYS H 1.0 1.8 3.515 349 218 A 10 LYS HA A 9 GLY HAy 1.0 1.8 5.418 350 219 A 10 LYS HA A 9 GLY HAx 1.0 1.8 5.552 351 220 A 10 LYS H A 9 GLY HAy 1.0 1.8 3.541 352 221 A 10 LYS H A 9 GLY HAy 1.0 1.8 3.755 353 222 A 10 LYS H A 9 GLY HAx 1.0 1.8 3.409 354 223 A 10 LYS H A 9 GLY HAx 1.0 1.8 3.892 355 224 A 9 GLY H A 10 LYS H 1.0 1.8 3.597 356 225 A 10 LYS HDx A 10 LYS HA 1.0 1.8 3.481 357 226 A 10 LYS HDx A 10 LYS HBx 1.0 1.8 2.837 358 227 A 10 LYS HBy A 10 LYS HGy 1.0 1.8 2.978 359 228 A 10 LYS HA A 10 LYS H 1.0 1.8 3.018 360 229 A 10 LYS HBy A 10 LYS H 1.0 1.8 3.213 361 230 A 10 LYS HBx A 10 LYS H 1.0 1.8 3.298 362 231 A 10 LYS H A 10 LYS HDy 1.0 1.8 3.661 363 232 A 10 LYS HGx A 10 LYS H 1.0 1.8 4.014 364 233 A 11 SER H A 10 LYS HA 1.0 1.8 2.996 365 234 A 11 SER H A 10 LYS HBy 1.0 1.8 4.219 366 235 A 11 SER H A 10 LYS HBy 1.0 1.8 4.483 367 236 A 11 SER H A 10 LYS HBx 1.0 1.8 4.289 368 237 A 11 SER H A 10 LYS HBx 1.0 1.8 4.483 369 238 A 11 SER H A 10 LYS HGy 1.0 1.8 5.125 370 239 A 11 SER H A 10 LYS HGx 1.0 1.8 4.585 371 240 A 11 SER H A 10 LYS H 1.0 1.8 3.722 372 241 A 11 SER H A 10 LYS H 1.0 1.8 3.992 373 242 A 9 GLY HAx A 12 ASP H 1.0 1.8 5.247 374 243 A 11 SER HA A 12 ASP HBy 1.0 1.8 5.018 375 244 A 11 SER HA A 12 ASP HBx 1.0 1.8 5.018 376 245 A 11 SER H A 12 ASP HBx 1.0 1.8 4.155 377 246 A 12 ASP HBy A 12 ASP HBx 1.0 1.8 3.072 378 247 A 12 ASP HBy A 12 ASP HBx 1.0 1.8 3.012 379 248 A 12 ASP H A 12 ASP HA 1.0 1.8 2.826 380 249 A 12 ASP H A 12 ASP HBy 1.0 1.8 3.755 381 250 A 12 ASP H A 12 ASP HBy 1.0 1.8 4.084 382 251 A 12 ASP H A 12 ASP HBx 1.0 1.8 3.848 383 252 A 13 PRO HA A 12 ASP HBy 1.0 1.8 4.660 384 253 A 13 PRO HDx A 12 ASP HBy 1.0 1.8 5.038 385 254 A 13 PRO HDx A 12 ASP HBy 1.0 1.8 4.561 386 255 A 13 PRO HDx A 12 ASP HBx 1.0 1.8 5.172 387 256 A 13 PRO HDx A 12 ASP HBx 1.0 1.8 4.585 388 257 A 13 PRO HDy A 12 ASP HBy 1.0 1.8 5.018 389 258 A 13 PRO HDy A 12 ASP HBy 1.0 1.8 4.820 390 259 A 13 PRO HDy A 12 ASP HBx 1.0 1.8 4.998 391 260 A 13 PRO HDy A 12 ASP HBx 1.0 1.8 4.758 392 261 A 13 PRO HDy A 12 ASP H 1.0 1.8 4.687 393 262 A 13 PRO HBx A 13 PRO HA 1.0 1.8 4.394 394 263 A 13 PRO HA A 13 PRO HBy 1.0 1.8 3.580 395 264 A 13 PRO HBx A 13 PRO HBy 1.0 1.8 4.066 396 265 A 13 PRO HA A 13 PRO HDx 1.0 1.8 4.273 397 266 A 13 PRO HA A 13 PRO HDx 1.0 1.8 5.148 398 267 A 13 PRO HBx A 13 PRO HDx 1.0 1.8 4.305 399 268 A 13 PRO HDx A 13 PRO HBy 1.0 1.8 4.959 400 269 A 13 PRO HA A 13 PRO HDy 1.0 1.8 4.820 401 270 A 13 PRO HBx A 13 PRO HDy 1.0 1.8 4.036 402 271 A 13 PRO HDy A 13 PRO HBy 1.0 1.8 5.148 403 272 A 13 PRO HBx A 13 PRO HGy 1.0 1.8 3.839 404 273 A 13 PRO HBx A 13 PRO HGy 1.0 1.8 4.148 405 274 A 13 PRO HGy A 13 PRO HBy 1.0 1.8 3.350 406 275 A 13 PRO HGy A 13 PRO HBy 1.0 1.8 3.453 407 276 A 13 PRO HGy A 13 PRO HDx 1.0 1.8 5.795 408 277 A 13 PRO HGy A 13 PRO HDx 1.0 1.8 5.125 409 278 A 13 PRO HGy A 13 PRO HDy 1.0 1.8 5.196 410 279 A 13 PRO HGy A 13 PRO HDy 1.0 1.8 4.978 411 280 A 13 PRO HGx A 13 PRO HBx 1.0 1.8 3.335 412 281 A 13 PRO HGx A 13 PRO HBy 1.0 1.8 4.257 413 282 A 13 PRO HGx A 13 PRO HBy 1.0 1.8 4.621 414 283 A 13 PRO HGx A 13 PRO HDx 1.0 1.8 4.505 415 284 A 13 PRO HGx A 13 PRO HDx 1.0 1.8 4.183 416 285 A 13 PRO HGx A 13 PRO HDy 1.0 1.8 4.234 417 286 A 13 PRO HGx A 13 PRO HDy 1.0 1.8 4.305 418 287 A 14 TYR H A 13 PRO HA 1.0 1.8 3.068 419 288 A 14 TYR H A 13 PRO HBx 1.0 1.8 4.549 420 289 A 14 TYR H A 13 PRO HBy 1.0 1.8 4.527 421 290 A 14 TYR H A 13 PRO HBy 1.0 1.8 5.328 422 291 A 14 TYR H A 13 PRO HDx 1.0 1.8 4.384 423 292 A 14 TYR H A 13 PRO HDx 1.0 1.8 4.940 424 293 A 14 TYR H A 13 PRO HDy 1.0 1.8 4.701 425 294 A 14 TYR H A 13 PRO HDy 1.0 1.8 5.483 426 295 A 14 TYR H A 14 TYR HA 1.0 1.8 3.715 427 296 A 15 HIS H A 13 PRO HA 1.0 1.8 5.552 428 297 A 14 TYR HA A 15 HIS HBy 1.0 1.8 5.589 429 298 A 14 TYR HA A 15 HIS HD2 1.0 1.8 4.978 430 299 A 14 TYR HBx A 15 HIS HE1 1.0 1.8 5.273 431 300 A 15 HIS H A 14 TYR HA 1.0 1.8 3.600 432 301 A 14 TYR H A 15 HIS H 1.0 1.8 4.162 433 302 A 14 TYR H A 15 HIS H 1.0 1.8 4.190 434 303 A 15 HIS HA A 15 HIS HBx 1.0 1.8 3.763 435 304 A 15 HIS HBy A 15 HIS HA 1.0 1.8 3.883 436 305 A 15 HIS HBy A 15 HIS HBx 1.0 1.8 2.999 437 306 A 15 HIS HA A 15 HIS HD2 1.0 1.8 4.014 438 307 A 15 HIS HD2 A 15 HIS HBx 1.0 1.8 4.169 439 308 A 15 HIS HD2 A 15 HIS HBx 1.0 1.8 4.549 440 309 A 15 HIS HBy A 15 HIS HD2 1.0 1.8 4.115 441 310 A 15 HIS HBy A 15 HIS HD2 1.0 1.8 4.505 442 311 A 15 HIS HE1 A 15 HIS HD2 1.0 1.8 4.940 443 312 A 15 HIS HE1 A 15 HIS HD2 1.0 1.8 4.940 444 313 A 15 HIS H A 15 HIS HA 1.0 1.8 3.926 445 314 A 15 HIS H A 15 HIS HBx 1.0 1.8 4.257 446 315 A 15 HIS H A 15 HIS HBx 1.0 1.8 4.432 447 316 A 15 HIS H A 15 HIS HBy 1.0 1.8 4.148 448 317 A 15 HIS H A 15 HIS HBy 1.0 1.8 4.561 449 318 A 15 HIS H A 15 HIS HD2 1.0 1.8 4.870 450 319 A 15 HIS H A 15 HIS HD2 1.0 1.8 4.597 451 320 A 13 PRO HA A 16 ALA HB% 1.0 1.8 3.904 452 321 A 14 TYR HA A 16 ALA HB% 1.0 1.8 5.969 453 322 A 14 TYR HA A 16 ALA H 1.0 1.8 4.096 454 323 A 14 TYR H A 16 ALA H 1.0 1.8 3.722 455 324 A 15 HIS HA A 16 ALA HB% 1.0 1.8 4.647 456 325 A 15 HIS HD2 A 16 ALA HB% 1.0 1.8 6.000 457 326 A 15 HIS H A 16 ALA HB% 1.0 1.8 6.000 458 327 A 16 ALA H A 15 HIS HA 1.0 1.8 3.294 459 328 A 16 ALA H A 15 HIS HBx 1.0 1.8 4.357 460 329 A 16 ALA H A 15 HIS HBx 1.0 1.8 5.038 461 330 A 16 ALA H A 15 HIS HBy 1.0 1.8 4.413 462 331 A 16 ALA H A 15 HIS HBy 1.0 1.8 5.059 463 332 A 16 ALA H A 15 HIS HD2 1.0 1.8 5.517 464 333 A 16 ALA H A 15 HIS HD2 1.0 1.8 4.820 465 334 A 15 HIS H A 16 ALA H 1.0 1.8 4.729 466 335 A 15 HIS H A 16 ALA H 1.0 1.8 4.978 467 336 A 16 ALA H A 16 ALA HB% 1.0 1.8 3.482 468 337 A 16 ALA H A 16 ALA HB% 1.0 1.8 3.468 469 338 A 14 TYR HA A 17 THR HB 1.0 1.8 5.357 470 339 A 14 TYR HA A 17 THR HG2% 1.0 1.8 6.000 471 340 A 14 TYR HA A 17 THR H 1.0 1.8 4.836 472 341 A 15 HIS HA A 17 THR H 1.0 1.8 3.498 473 342 A 16 ALA HB% A 17 THR HB 1.0 1.8 3.175 474 343 A 16 ALA HB% A 17 THR HB 1.0 1.8 3.175 475 344 A 16 ALA HB% A 17 THR H 1.0 1.8 3.914 476 345 A 16 ALA HB% A 17 THR H 1.0 1.8 4.099 477 346 A 17 THR HB A 17 THR HA 1.0 1.8 3.617 478 347 A 17 THR HA A 17 THR HG1 1.0 1.8 3.202 479 348 A 17 THR HA A 17 THR HG1 1.0 1.8 4.339 480 349 A 17 THR HB A 17 THR HG1 1.0 1.8 2.942 481 350 A 17 THR HB A 17 THR HG1 1.0 1.8 3.671 482 351 A 17 THR H A 17 THR HA 1.0 1.8 3.671 483 352 A 17 THR HB A 17 THR H 1.0 1.8 3.108 484 353 A 17 THR H A 17 THR HG1 1.0 1.8 3.883 485 354 A 14 TYR HA A 18 SER H 1.0 1.8 4.289 486 355 A 15 HIS HA A 18 SER H 1.0 1.8 3.457 487 356 A 18 SER H A 16 ALA HA 1.0 1.8 4.366 488 357 A 17 THR HA A 18 SER H 1.0 1.8 3.182 489 358 A 17 THR HB A 18 SER H 1.0 1.8 2.959 490 359 A 17 THR HG1 A 18 SER H 1.0 1.8 4.048 491 360 A 17 THR H A 18 SER H 1.0 1.8 3.372 492 361 A 18 SER HA A 18 SER HBx 1.0 1.8 4.836 493 362 A 18 SER HA A 18 SER HBx 1.0 1.8 3.498 494 363 A 18 SER HA A 18 SER HBy 1.0 1.8 4.715 495 364 A 18 SER HA A 18 SER HBy 1.0 1.8 3.444 496 365 A 18 SER HA A 18 SER H 1.0 1.8 3.759 497 366 A 18 SER H A 18 SER HBx 1.0 1.8 3.955 498 367 A 18 SER H A 18 SER HBx 1.0 1.8 4.348 499 368 A 18 SER H A 18 SER HBy 1.0 1.8 4.090 500 369 A 18 SER H A 18 SER HBy 1.0 1.8 4.527 501 370 A 19 GLY H A 16 ALA HA 1.0 1.8 3.170 502 371 A 19 GLY H A 18 SER HA 1.0 1.8 3.185 503 372 A 19 GLY H A 18 SER HBx 1.0 1.8 4.744 504 373 A 19 GLY H A 18 SER HBy 1.0 1.8 4.314 505 374 A 19 GLY H A 18 SER HBy 1.0 1.8 3.981 506 375 A 19 GLY H A 18 SER H 1.0 1.8 3.950 507 376 A 20 ALA H A 16 ALA HA 1.0 1.8 5.273 508 377 A 20 ALA H A 18 SER HA 1.0 1.8 5.300 509 378 A 20 ALA H A 18 SER H 1.0 1.8 5.059 510 379 A 19 GLY H A 20 ALA H 1.0 1.8 3.906 511 380 A 20 ALA HB% A 20 ALA HA 1.0 1.8 3.228 512 381 A 20 ALA H A 20 ALA HA 1.0 1.8 3.495 513 382 A 20 ALA H A 20 ALA HB% 1.0 1.8 3.311 514 383 A 20 ALA H A 20 ALA HB% 1.0 1.8 3.482 515 384 A 21 LEU H A 17 THR HA 1.0 1.8 4.289 516 385 A 18 SER HA A 21 LEU HBy 1.0 1.8 5.627 517 386 A 21 LEU H A 18 SER HA 1.0 1.8 5.450 518 387 A 21 LEU HA A 20 ALA HB% 1.0 1.8 5.038 519 388 A 21 LEU H A 20 ALA HB% 1.0 1.8 3.859 520 389 A 21 LEU H A 20 ALA HB% 1.0 1.8 3.883 521 390 A 20 ALA H A 21 LEU H 1.0 1.8 3.826 522 391 A 21 LEU HDx% A 21 LEU HA 1.0 1.8 4.758 523 392 A 21 LEU HBx A 21 LEU HDx% 1.0 1.8 3.381 524 393 A 21 LEU HDy% A 21 LEU HA 1.0 1.8 3.613 525 394 A 21 LEU HDy% A 21 LEU HA 1.0 1.8 5.517 526 395 A 21 LEU HA A 21 LEU HG 1.0 1.8 4.135 527 396 A 21 LEU HDx% A 21 LEU HG 1.0 1.8 3.835 528 397 A 21 LEU HDx% A 21 LEU HG 1.0 1.8 4.008 529 398 A 21 LEU HDy% A 21 LEU HG 1.0 1.8 4.014 530 399 A 21 LEU HDy% A 21 LEU HG 1.0 1.8 4.265 531 400 A 21 LEU H A 21 LEU HA 1.0 1.8 2.814 532 401 A 21 LEU H A 21 LEU HDx% 1.0 1.8 4.096 533 402 A 21 LEU H A 21 LEU HDy% 1.0 1.8 4.135 534 403 A 21 LEU H A 21 LEU HG 1.0 1.8 3.531 535 404 A 21 LEU H A 21 LEU HG 1.0 1.8 3.674 536 405 A 22 SER HBy A 22 SER HA 1.0 1.8 3.096 537 406 A 22 SER HA A 22 SER HBx 1.0 1.8 3.822 538 407 A 22 SER HA A 22 SER H 1.0 1.8 3.705 539 408 A 22 SER HBy A 22 SER H 1.0 1.8 3.503 540 409 A 22 SER HBy A 22 SER H 1.0 1.8 3.835 541 410 A 22 SER HBx A 22 SER H 1.0 1.8 3.843 542 411 A 22 SER HBx A 22 SER H 1.0 1.8 4.048 543 412 A 22 SER HBx A 23 PRO HGx 1.0 1.8 5.750 544 413 A 23 PRO HBy A 23 PRO HBx 1.0 1.8 4.054 545 414 A 23 PRO HA A 23 PRO HDy 1.0 1.8 4.978 546 415 A 23 PRO HA A 23 PRO HGy 1.0 1.8 3.794 547 416 A 23 PRO HA A 23 PRO HGy 1.0 1.8 5.080 548 417 A 23 PRO HBy A 23 PRO HGy 1.0 1.8 3.077 549 418 A 23 PRO HGy A 23 PRO HBx 1.0 1.8 3.027 550 419 A 23 PRO HDy A 23 PRO HGy 1.0 1.8 3.883 551 420 A 23 PRO HDx A 23 PRO HGy 1.0 1.8 3.926 552 421 A 23 PRO HA A 23 PRO HGx 1.0 1.8 3.955 553 422 A 23 PRO HBy A 23 PRO HGx 1.0 1.8 3.242 554 423 A 23 PRO HGx A 23 PRO HBx 1.0 1.8 3.380 555 424 A 23 PRO HDy A 23 PRO HGx 1.0 1.8 3.552 556 425 A 23 PRO HDy A 23 PRO HGx 1.0 1.8 3.428 557 426 A 23 PRO HDx A 23 PRO HGx 1.0 1.8 3.382 558 427 A 23 PRO HDx A 23 PRO HGx 1.0 1.8 3.432 559 428 A 18 SER HBx A 24 ALA HA 1.0 1.8 5.589 560 429 A 18 SER HBy A 24 ALA HA 1.0 1.8 4.978 561 430 A 21 LEU HA A 24 ALA HB% 1.0 1.8 4.820 562 431 A 21 LEU HA A 24 ALA H 1.0 1.8 4.141 563 432 A 24 ALA H A 22 SER HA 1.0 1.8 5.517 564 433 A 24 ALA H A 22 SER HBy 1.0 1.8 4.647 565 434 A 24 ALA H A 22 SER HBx 1.0 1.8 4.922 566 435 A 24 ALA H A 22 SER H 1.0 1.8 4.211 567 436 A 23 PRO HA A 24 ALA HB% 1.0 1.8 4.694 568 437 A 23 PRO HA A 24 ALA H 1.0 1.8 2.696 569 438 A 24 ALA H A 23 PRO HBx 1.0 1.8 4.054 570 439 A 23 PRO HDy A 24 ALA H 1.0 1.8 5.328 571 440 A 24 ALA H A 23 PRO HGy 1.0 1.8 4.090 572 441 A 24 ALA H A 23 PRO HGy 1.0 1.8 4.561 573 442 A 24 ALA H A 23 PRO HGx 1.0 1.8 4.505 574 443 A 24 ALA H A 23 PRO HGx 1.0 1.8 4.870 575 444 A 24 ALA HA A 24 ALA HB% 1.0 1.8 4.057 576 445 A 24 ALA HA A 24 ALA HB% 1.0 1.8 3.448 577 446 A 24 ALA H A 24 ALA HA 1.0 1.8 3.334 578 447 A 24 ALA H A 24 ALA HB% 1.0 1.8 3.286 579 448 A 24 ALA H A 24 ALA HB% 1.0 1.8 3.419 580 449 A 24 ALA H A 25 LYS HGy 1.0 1.8 4.870 581 450 A 25 LYS H A 24 ALA HA 1.0 1.8 3.505 582 451 A 25 LYS HBy A 25 LYS HA 1.0 1.8 3.392 583 452 A 25 LYS HA A 25 LYS HBx 1.0 1.8 3.505 584 453 A 25 LYS HGy A 25 LYS HA 1.0 1.8 3.722 585 454 A 25 LYS H A 25 LYS HA 1.0 1.8 3.476 586 455 A 25 LYS H A 25 LYS HBy 1.0 1.8 3.684 587 456 A 25 LYS H A 25 LYS HBy 1.0 1.8 4.096 588 457 A 25 LYS H A 25 LYS HBx 1.0 1.8 4.162 589 458 A 25 LYS H A 25 LYS HBx 1.0 1.8 4.442 590 459 A 25 LYS H A 25 LYS HGy 1.0 1.8 4.162 591 460 A 25 LYS HA A 26 ASP H 1.0 1.8 4.042 592 461 A 25 LYS HBy A 26 ASP H 1.0 1.8 4.853 593 462 A 25 LYS HBy A 26 ASP H 1.0 1.8 4.887 594 463 A 25 LYS HBx A 26 ASP H 1.0 1.8 4.473 595 464 A 25 LYS HBx A 26 ASP H 1.0 1.8 5.080 596 465 A 25 LYS HDx A 26 ASP H 1.0 1.8 5.357 597 466 A 25 LYS HDx A 26 ASP H 1.0 1.8 5.666 598 467 A 25 LYS HGy A 26 ASP H 1.0 1.8 4.729 599 468 A 25 LYS HGy A 26 ASP H 1.0 1.8 5.418 600 469 A 26 ASP H A 25 LYS HGx 1.0 1.8 4.432 601 470 A 26 ASP H A 25 LYS HGx 1.0 1.8 4.549 602 471 A 25 LYS H A 26 ASP H 1.0 1.8 3.835 603 472 A 26 ASP HA A 26 ASP HBx 1.0 1.8 4.758 604 473 A 26 ASP HA A 26 ASP HBx 1.0 1.8 3.759 605 474 A 26 ASP HA A 26 ASP HBy 1.0 1.8 3.955 606 475 A 26 ASP H A 26 ASP HBx 1.0 1.8 4.289 607 476 A 26 ASP H A 26 ASP HBx 1.0 1.8 3.826 608 477 A 26 ASP H A 26 ASP HBy 1.0 1.8 3.755 609 478 A 26 ASP H A 26 ASP HBy 1.0 1.8 4.122 stop_ save_