data_nef_c16090_2kbl 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 loop_ _nef_related_entries.database_name _nef_related_entries.database_accession_code PDB 1RFO PDB 1U0P PDB 1aa0 stop_ 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 0 SER middle . . 3 A 1 GLY middle . false 4 A 2 TYR middle . . 5 A 3 ILE middle . . 6 A 4 PRO middle . false 7 A 5 ARG middle . . 8 A 6 ALA middle . . 9 A 7 PRO middle . false 10 A 8 ARG middle . . 11 A 9 ASP middle . . 12 A 10 GLY middle . false 13 A 11 GLN middle . . 14 A 12 ALA middle . . 15 A 13 TYR middle . . 16 A 14 VAL middle . . 17 A 15 ARG middle . . 18 A 16 LYS middle . . 19 A 17 ASP middle . . 20 A 18 GLY middle . false 21 A 19 GLU middle . . 22 A 20 TRP middle . . 23 A 21 VAL middle . . 24 A 22 LEU middle . . 25 A 23 LEU middle . . 26 A 24 SER middle . . 27 A 25 THR middle . . 28 A 26 PHE middle . . 29 A 27 LEU end . . stop_ save_ save_assigned_chem_shift_list_1 _nef_chemical_shift_list.sf_category nef_chemical_shift_list _nef_chemical_shift_list.sf_framecode assigned_chem_shift_list_1 loop_ _nef_chemical_shift.chain_code _nef_chemical_shift.sequence_code _nef_chemical_shift.residue_name _nef_chemical_shift.atom_name _nef_chemical_shift.element _nef_chemical_shift.isotope_number _nef_chemical_shift.value _nef_chemical_shift.value_uncertainty A 2 TYR H H 1 8.110 0.01 A 2 TYR HA H 1 4.599 0.01 A 2 TYR HBx H 1 2.868 0.01 A 2 TYR HBy H 1 2.997 0.01 A 2 TYR HDx H 1 7.062 0.01 A 2 TYR HDy H 1 7.062 0.01 A 2 TYR HEx H 1 6.779 0.01 A 2 TYR HEy H 1 6.779 0.01 A 2 TYR N N 15 120.654 0.05 A 3 ILE H H 1 8.066 0.01 A 3 ILE HA H 1 4.306 0.01 A 3 ILE HB H 1 1.694 0.01 A 3 ILE HD1% H 1 0.800 0.01 A 3 ILE HG1y H 1 1.450 0.01 A 3 ILE HG1x H 1 1.057 0.01 A 3 ILE HG2% H 1 0.831 0.01 A 3 ILE N N 15 127.124 0.05 A 4 PRO HA H 1 4.254 0.01 A 4 PRO HBx H 1 2.148 0.01 A 4 PRO HBy H 1 2.254 0.01 A 4 PRO HDx H 1 3.472 0.01 A 4 PRO HDy H 1 3.517 0.01 A 4 PRO HGx H 1 1.864 0.01 A 4 PRO HGy H 1 1.889 0.01 A 5 ARG H H 1 8.242 0.01 A 5 ARG HA H 1 4.254 0.01 A 5 ARG HB2 H 1 1.772 0.01 A 5 ARG HB3 H 1 1.694 0.01 A 5 ARG HD2 H 1 3.135 0.01 A 5 ARG HD3 H 1 3.135 0.01 A 5 ARG HG2 H 1 1.626 0.01 A 5 ARG HG3 H 1 1.626 0.01 A 5 ARG N N 15 120.764 0.05 A 6 ALA H H 1 8.241 0.01 A 6 ALA HA H 1 4.042 0.01 A 6 ALA HB% H 1 1.006 0.01 A 6 ALA N N 15 126.330 0.05 A 7 PRO HA H 1 4.254 0.01 A 7 PRO HB2 H 1 2.144 0.01 A 7 PRO HB3 H 1 2.144 0.01 A 7 PRO HDx H 1 3.075 0.01 A 7 PRO HDy H 1 3.446 0.01 A 7 PRO HGx H 1 1.770 0.01 A 7 PRO HGy H 1 1.788 0.01 A 8 ARG H H 1 8.282 0.01 A 8 ARG HA H 1 4.351 0.01 A 8 ARG HB2 H 1 1.851 0.01 A 8 ARG HB3 H 1 1.680 0.01 A 8 ARG HD2 H 1 3.123 0.01 A 8 ARG HD3 H 1 3.123 0.01 A 8 ARG HG2 H 1 1.572 0.01 A 8 ARG HG3 H 1 1.572 0.01 A 8 ARG N N 15 120.314 0.05 A 9 ASP H H 1 8.197 0.01 A 9 ASP HA H 1 4.572 0.01 A 9 ASP HB2 H 1 2.769 0.01 A 9 ASP HB3 H 1 2.660 0.01 A 9 ASP N N 15 120.415 0.05 A 10 GLY H H 1 8.492 0.01 A 10 GLY HAx H 1 3.824 0.01 A 10 GLY HAy H 1 4.062 0.01 A 10 GLY N N 15 108.979 0.05 A 11 GLN H H 1 8.111 0.01 A 11 GLN HA H 1 4.454 0.01 A 11 GLN HBy H 1 1.969 0.01 A 11 GLN HBx H 1 1.935 0.01 A 11 GLN HE2x H 1 6.830 0.01 A 11 GLN HE2y H 1 7.565 0.01 A 11 GLN HGy H 1 2.272 0.01 A 11 GLN HGx H 1 2.189 0.01 A 11 GLN N N 15 118.781 0.05 A 11 GLN NE2 N 15 112.136 0.05 A 12 ALA H H 1 8.282 0.01 A 12 ALA HA H 1 4.509 0.01 A 12 ALA HB% H 1 1.321 0.01 A 12 ALA N N 15 123.447 0.05 A 13 TYR H H 1 8.383 0.01 A 13 TYR HA H 1 5.126 0.01 A 13 TYR HB2 H 1 2.994 0.01 A 13 TYR HB3 H 1 2.722 0.01 A 13 TYR HDx H 1 6.906 0.01 A 13 TYR HDy H 1 6.906 0.01 A 13 TYR HEx H 1 6.807 0.01 A 13 TYR HEy H 1 6.807 0.01 A 13 TYR N N 15 119.333 0.05 A 14 VAL H H 1 9.149 0.01 A 14 VAL HA H 1 4.618 0.01 A 14 VAL HB H 1 2.029 0.01 A 14 VAL HGx% H 1 0.897 0.01 A 14 VAL HGy% H 1 0.853 0.01 A 14 VAL N N 15 118.904 0.05 A 15 ARG H H 1 8.471 0.01 A 15 ARG HA H 1 4.401 0.01 A 15 ARG HB2 H 1 1.499 0.01 A 15 ARG HB3 H 1 1.499 0.01 A 15 ARG HD2 H 1 2.319 0.01 A 15 ARG HD3 H 1 2.319 0.01 A 15 ARG HGx H 1 0.947 0.01 A 15 ARG HGy H 1 0.976 0.01 A 15 ARG N N 15 125.066 0.05 A 16 LYS H H 1 8.912 0.01 A 16 LYS HA H 1 4.395 0.01 A 16 LYS HBx H 1 1.567 0.01 A 16 LYS HBy H 1 1.727 0.01 A 16 LYS HD2 H 1 1.599 0.01 A 16 LYS HD3 H 1 1.599 0.01 A 16 LYS HE2 H 1 2.913 0.01 A 16 LYS HE3 H 1 2.913 0.01 A 16 LYS HGx H 1 1.239 0.01 A 16 LYS HGy H 1 1.341 0.01 A 16 LYS N N 15 126.761 0.05 A 17 ASP H H 1 9.085 0.01 A 17 ASP HA H 1 4.287 0.01 A 17 ASP HBx H 1 2.657 0.01 A 17 ASP HBy H 1 2.820 0.01 A 17 ASP N N 15 125.647 0.05 A 18 GLY H H 1 8.415 0.01 A 18 GLY HAx H 1 3.506 0.01 A 18 GLY HAy H 1 4.017 0.01 A 18 GLY N N 15 104.757 0.05 A 19 GLU H H 1 7.710 0.01 A 19 GLU HA H 1 4.525 0.01 A 19 GLU HB2 H 1 2.045 0.01 A 19 GLU HB3 H 1 1.829 0.01 A 19 GLU HGx H 1 2.160 0.01 A 19 GLU HGy H 1 2.254 0.01 A 19 GLU N N 15 119.170 0.05 A 20 TRP H H 1 8.677 0.01 A 20 TRP HA H 1 4.989 0.01 A 20 TRP HB2 H 1 2.981 0.01 A 20 TRP HB3 H 1 3.050 0.01 A 20 TRP HD1 H 1 7.172 0.01 A 20 TRP HE1 H 1 9.970 0.01 A 20 TRP HE3 H 1 7.313 0.01 A 20 TRP HH2 H 1 7.182 0.01 A 20 TRP HZ2 H 1 7.401 0.01 A 20 TRP HZ3 H 1 7.040 0.01 A 20 TRP N N 15 122.038 0.05 A 20 TRP NE1 N 15 128.660 0.05 A 21 VAL H H 1 9.276 0.01 A 21 VAL HA H 1 4.548 0.01 A 21 VAL HB H 1 2.099 0.01 A 21 VAL HG1% H 1 0.941 0.01 A 21 VAL HG2% H 1 0.892 0.01 A 21 VAL N N 15 122.382 0.05 A 22 LEU H H 1 8.486 0.01 A 22 LEU HA H 1 4.142 0.01 A 22 LEU HB2 H 1 1.461 0.01 A 22 LEU HB3 H 1 1.542 0.01 A 22 LEU HDx% H 1 0.700 0.01 A 22 LEU HDy% H 1 0.580 0.01 A 22 LEU HG H 1 1.445 0.01 A 22 LEU N N 15 125.477 0.05 A 23 LEU H H 1 8.510 0.01 A 23 LEU HA H 1 4.321 0.01 A 23 LEU HBx H 1 1.562 0.01 A 23 LEU HBy H 1 1.598 0.01 A 23 LEU HDx% H 1 0.879 0.01 A 23 LEU HDy% H 1 0.848 0.01 A 23 LEU HG H 1 1.478 0.01 A 23 LEU N N 15 125.983 0.05 A 24 SER H H 1 8.316 0.01 A 24 SER HA H 1 4.419 0.01 A 24 SER HB2 H 1 3.761 0.01 A 24 SER HB3 H 1 3.861 0.01 A 24 SER N N 15 115.544 0.05 A 25 THR H H 1 7.884 0.01 A 25 THR HA H 1 4.252 0.01 A 25 THR HB H 1 4.106 0.01 A 25 THR HG2% H 1 1.095 0.01 A 25 THR N N 15 114.664 0.05 A 26 PHE H H 1 8.069 0.01 A 26 PHE HA H 1 4.657 0.01 A 26 PHE HB2 H 1 3.218 0.01 A 26 PHE HB3 H 1 2.968 0.01 A 26 PHE HDx H 1 7.259 0.01 A 26 PHE HDy H 1 7.259 0.01 A 26 PHE HEx H 1 7.301 0.01 A 26 PHE HEy H 1 7.301 0.01 A 26 PHE HZ H 1 7.265 0.01 A 26 PHE N N 15 121.669 0.05 A 27 LEU H H 1 7.687 0.01 A 27 LEU HA H 1 4.173 0.01 A 27 LEU HB2 H 1 1.559 0.01 A 27 LEU HB3 H 1 1.559 0.01 A 27 LEU HDx% H 1 0.855 0.01 A 27 LEU HDy% H 1 0.855 0.01 A 27 LEU N N 15 128.522 0.05 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 3 ILE HB A 3 ILE H 1.0 2.0 3.5 2 2 A 3 ILE HB A 3 ILE HA 1.0 2.0 3.5 3 3 A 5 ARG HB3 A 5 ARG H 1.0 2.0 2.7 4 4 A 5 ARG H A 5 ARG HB2 1.0 2.0 2.7 5 5 A 5 ARG HB3 A 5 ARG HA 1.0 3.0 4.5 6 6 A 5 ARG HB2 A 5 ARG HA 1.0 2.0 2.7 7 7 A 8 ARG HA A 8 ARG HB3 1.0 2.0 2.7 8 8 A 8 ARG HA A 8 ARG HB2 1.0 2.0 2.7 9 9 A 8 ARG HB3 A 8 ARG H 1.0 2.0 2.7 10 10 A 8 ARG HB2 A 8 ARG H 1.0 3.0 4.5 11 11 A 9 ASP HA A 9 ASP HB3 1.0 2.0 2.7 12 12 A 9 ASP HA A 9 ASP HB2 1.0 2.0 2.7 13 13 A 9 ASP HB3 A 9 ASP H 1.0 2.0 2.7 14 14 A 9 ASP HB2 A 9 ASP H 1.0 3.0 4.5 15 15 A 11 GLN HA A 11 GLN HBx 1.0 2.0 3.5 16 16 A 11 GLN HA A 11 GLN HBy 1.0 2.0 3.5 17 17 A 11 GLN H A 11 GLN HBx 1.0 2.0 3.5 18 18 A 11 GLN H A 11 GLN HBy 1.0 2.0 3.5 19 19 A 13 TYR HA A 13 TYR HB3 1.0 2.0 2.7 20 20 A 13 TYR HA A 13 TYR HB2 1.0 3.0 4.5 21 21 A 13 TYR HB3 A 13 TYR H 1.0 3.0 4.5 22 22 A 13 TYR HB2 A 13 TYR H 1.0 2.0 2.7 23 23 A 13 TYR H A 13 TYR HD% 1.0 2.0 6.0 24 24 A 15 ARG H A 15 ARG HGy 1.0 2.0 5.0 25 25 A 15 ARG H A 15 ARG HGx 1.0 2.0 5.0 26 26 A 16 LYS H A 16 LYS HD2 1.0 2.0 6.0 27 26 A 16 LYS HD3 A 16 LYS H 1.0 2.0 6.0 28 27 A 18 GLY H A 18 GLY HAy 1.0 2.0 2.7 29 28 A 18 GLY H A 18 GLY HAx 1.0 2.0 2.7 30 29 A 19 GLU HA A 19 GLU HB3 1.0 2.0 2.7 31 30 A 19 GLU HA A 19 GLU HB2 1.0 3.0 4.5 32 31 A 19 GLU HB3 A 19 GLU H 1.0 3.0 4.5 33 32 A 19 GLU HB2 A 19 GLU H 1.0 2.0 2.7 34 33 A 20 TRP HA A 20 TRP HB3 1.0 2.0 2.7 35 34 A 20 TRP HA A 20 TRP HB2 1.0 3.0 4.5 36 35 A 20 TRP HB3 A 20 TRP H 1.0 3.0 4.5 37 36 A 20 TRP HB2 A 20 TRP H 1.0 2.0 2.7 38 37 A 20 TRP HA A 20 TRP HE3 1.0 2.0 5.0 39 38 A 20 TRP H A 20 TRP HD1 1.0 2.0 5.0 40 39 A 20 TRP H A 20 TRP HE3 1.0 2.0 5.0 41 40 A 22 LEU HA A 22 LEU HB3 1.0 2.0 3.5 42 41 A 22 LEU HA A 22 LEU HB2 1.0 2.0 2.7 43 42 A 22 LEU H A 22 LEU HB3 1.0 2.0 2.7 44 43 A 22 LEU H A 22 LEU HB2 1.0 2.0 2.7 45 44 A 22 LEU HA A 22 LEU HDx% 1.0 2.0 6.0 46 45 A 22 LEU HA A 22 LEU HDy% 1.0 2.0 6.0 47 46 A 22 LEU HB2 A 22 LEU HDx% 1.0 2.0 4.6 48 47 A 22 LEU HB2 A 22 LEU HDy% 1.0 2.0 4.6 49 48 A 23 LEU HA A 23 LEU HBy 1.0 2.0 3.5 50 49 A 23 LEU HA A 23 LEU HBx 1.0 2.0 3.5 51 50 A 23 LEU HG A 23 LEU H 1.0 2.0 2.7 52 51 A 23 LEU HA A 23 LEU HG 1.0 2.0 3.5 53 52 A 23 LEU H A 23 LEU HDx% 1.0 2.0 4.6 54 53 A 23 LEU H A 23 LEU HDy% 1.0 2.0 4.6 55 54 A 24 SER HA A 24 SER HB3 1.0 2.0 2.7 56 55 A 24 SER HA A 24 SER HB2 1.0 2.0 2.7 57 56 A 24 SER HB3 A 24 SER H 1.0 2.0 2.7 58 57 A 24 SER HB2 A 24 SER H 1.0 3.0 4.5 59 58 A 25 THR HA A 25 THR HG2% 1.0 2.0 5.0 60 59 A 25 THR HB A 25 THR H 1.0 2.0 3.5 61 60 A 25 THR HG2% A 25 THR H 1.0 2.0 5.0 62 61 A 26 PHE HA A 26 PHE HB3 1.0 2.0 2.7 63 62 A 26 PHE HA A 26 PHE HB2 1.0 3.0 4.5 64 63 A 26 PHE HB3 A 26 PHE H 1.0 3.0 4.5 65 64 A 26 PHE HB2 A 26 PHE H 1.0 2.0 2.7 66 65 A 26 PHE H A 26 PHE HD% 1.0 2.0 5.5 67 66 A 3 ILE H A 2 TYR HA 1.0 2.0 2.5 68 67 A 2 TYR HA A 3 ILE HG1y 1.0 2.0 6.0 69 67 A 2 TYR HA A 3 ILE HG1x 1.0 2.0 6.0 70 68 A 3 ILE HB A 2 TYR HA 1.0 2.0 5.0 71 69 A 3 ILE HA A 4 PRO HGx 1.0 2.0 6.0 72 69 A 3 ILE HA A 4 PRO HGy 1.0 2.0 6.0 73 70 A 3 ILE HA A 4 PRO HDy 1.0 2.0 2.5 74 71 A 3 ILE HA A 4 PRO HDx 1.0 2.0 2.5 75 72 A 3 ILE HB A 4 PRO HDy 1.0 2.0 6.0 76 73 A 3 ILE HB A 4 PRO HDx 1.0 2.0 6.0 77 74 A 4 PRO HDy A 3 ILE HG2% 1.0 2.0 6.0 78 75 A 4 PRO HDx A 3 ILE HG2% 1.0 2.0 6.0 79 76 A 5 ARG H A 4 PRO HBx 1.0 2.0 5.0 80 76 A 5 ARG H A 4 PRO HBy 1.0 2.0 5.0 81 77 A 5 ARG H A 4 PRO HGx 1.0 2.0 5.0 82 77 A 5 ARG H A 4 PRO HGy 1.0 2.0 5.0 83 78 A 5 ARG HA A 6 ALA HB% 1.0 2.0 6.0 84 79 A 6 ALA HA A 7 PRO HGx 1.0 2.0 6.0 85 79 A 6 ALA HA A 7 PRO HGy 1.0 2.0 6.0 86 80 A 6 ALA HA A 7 PRO HDx 1.0 2.0 3.5 87 80 A 6 ALA HA A 7 PRO HDy 1.0 2.0 3.5 88 81 A 6 ALA HB% A 7 PRO HDx 1.0 2.0 6.0 89 82 A 6 ALA HB% A 7 PRO HDy 1.0 2.0 6.0 90 83 A 8 ARG H A 7 PRO HB2 1.0 2.0 5.0 91 83 A 8 ARG H A 7 PRO HB3 1.0 2.0 5.0 92 84 A 8 ARG H A 7 PRO HGx 1.0 2.0 5.0 93 84 A 8 ARG H A 7 PRO HGy 1.0 2.0 5.0 94 85 A 8 ARG H A 7 PRO HA 1.0 2.0 2.7 95 86 A 8 ARG HA A 7 PRO HGx 1.0 2.0 6.0 96 86 A 8 ARG HA A 7 PRO HGy 1.0 2.0 6.0 97 87 A 8 ARG H A 9 ASP HA 1.0 2.0 5.0 98 88 A 8 ARG H A 9 ASP H 1.0 2.0 3.5 99 89 A 8 ARG HA A 9 ASP H 1.0 2.0 2.7 100 90 A 8 ARG HB3 A 9 ASP H 1.0 2.0 4.0 101 91 A 8 ARG HB2 A 9 ASP H 1.0 2.0 4.0 102 92 A 9 ASP H A 10 GLY H 1.0 2.0 3.5 103 93 A 9 ASP HB3 A 10 GLY H 1.0 2.0 5.0 104 94 A 9 ASP HB2 A 10 GLY H 1.0 2.0 5.0 105 95 A 11 GLN H A 10 GLY HAy 1.0 2.0 3.5 106 96 A 11 GLN H A 10 GLY HAx 1.0 2.0 3.5 107 97 A 11 GLN H A 10 GLY H 1.0 2.0 3.5 108 98 A 11 GLN HA A 12 ALA H 1.0 2.0 2.7 109 99 A 11 GLN HA A 12 ALA HB% 1.0 2.0 6.0 110 100 A 12 ALA H A 11 GLN HBy 1.0 2.0 5.0 111 100 A 12 ALA H A 11 GLN HBx 1.0 2.0 5.0 112 101 A 12 ALA H A 11 GLN HGx 1.0 2.0 5.0 113 102 A 12 ALA H A 11 GLN HGy 1.0 2.0 5.0 114 103 A 11 GLN H A 12 ALA H 1.0 2.0 3.5 115 104 A 11 GLN H A 12 ALA HB% 1.0 2.0 6.0 116 105 A 12 ALA HB% A 13 TYR HE% 1.0 2.0 8.4 117 106 A 13 TYR HD% A 12 ALA HA 1.0 2.0 5.6 118 107 A 13 TYR HD% A 12 ALA HB% 1.0 2.0 8.4 119 108 A 13 TYR HD% A 12 ALA H 1.0 2.0 7.4 120 109 A 12 ALA H A 13 TYR HE% 1.0 2.0 7.4 121 110 A 13 TYR HD% A 14 VAL H 1.0 2.0 7.4 122 111 A 13 TYR HD% A 14 VAL HA 1.0 2.0 7.1 123 112 A 15 ARG H A 14 VAL HGx% 1.0 2.0 6.0 124 113 A 15 ARG H A 14 VAL HGy% 1.0 2.0 6.0 125 114 A 15 ARG HA A 14 VAL HGx% 1.0 2.0 6.0 126 115 A 15 ARG HA A 14 VAL HGy% 1.0 2.0 6.0 127 116 A 16 LYS H A 15 ARG HB2 1.0 2.0 5.0 128 116 A 16 LYS H A 15 ARG HB3 1.0 2.0 5.0 129 117 A 16 LYS H A 15 ARG HGy 1.0 2.0 6.0 130 117 A 16 LYS H A 15 ARG HGx 1.0 2.0 6.0 131 118 A 16 LYS H A 15 ARG HD2 1.0 2.0 6.0 132 118 A 16 LYS H A 15 ARG HD3 1.0 2.0 6.0 133 119 A 16 LYS HGx A 17 ASP H 1.0 2.0 5.0 134 120 A 17 ASP H A 16 LYS HGy 1.0 2.0 5.0 135 121 A 17 ASP H A 16 LYS HA 1.0 2.0 3.5 136 122 A 16 LYS H A 17 ASP H 1.0 2.0 4.5 137 123 A 19 GLU HA A 20 TRP HD1 1.0 2.0 5.0 138 124 A 19 GLU HB3 A 20 TRP H 1.0 2.0 3.5 139 125 A 19 GLU HB2 A 20 TRP H 1.0 2.0 5.0 140 126 A 20 TRP H A 19 GLU HGy 1.0 2.0 5.0 141 127 A 20 TRP H A 19 GLU HGx 1.0 2.0 5.0 142 128 A 20 TRP HA A 21 VAL HG2% 1.0 2.0 5.3 143 128 A 20 TRP HA A 21 VAL HG1% 1.0 2.0 5.3 144 129 A 22 LEU H A 21 VAL HG2% 1.0 2.0 7.3 145 129 A 22 LEU H A 21 VAL HG1% 1.0 2.0 7.3 146 130 A 21 VAL HA A 22 LEU HB3 1.0 2.0 5.0 147 131 A 21 VAL HA A 22 LEU HB2 1.0 2.0 5.0 148 132 A 20 TRP HZ3 A 21 VAL HG2% 1.0 2.0 7.3 149 132 A 21 VAL HG1% A 20 TRP HZ3 1.0 2.0 7.3 150 133 A 23 LEU H A 22 LEU HG 1.0 2.0 5.0 151 134 A 23 LEU H A 22 LEU HDx% 1.0 2.0 6.0 152 135 A 23 LEU H A 22 LEU HDy% 1.0 2.0 6.0 153 136 A 23 LEU H A 24 SER H 1.0 2.0 4.5 154 137 A 23 LEU HBy A 24 SER H 1.0 2.0 3.5 155 138 A 23 LEU HBx A 24 SER H 1.0 2.0 4.5 156 139 A 24 SER H A 23 LEU HDx% 1.0 2.0 5.0 157 140 A 24 SER H A 23 LEU HDy% 1.0 2.0 5.0 158 141 A 23 LEU HG A 24 SER H 1.0 2.0 4.0 159 142 A 24 SER HA A 25 THR H 1.0 2.0 3.5 160 143 A 24 SER HB3 A 25 THR H 1.0 2.0 3.5 161 144 A 24 SER HB2 A 25 THR H 1.0 2.0 3.5 162 145 A 24 SER H A 25 THR H 1.0 2.0 3.5 163 146 A 24 SER HA A 25 THR HG2% 1.0 2.0 6.0 164 147 A 24 SER HB3 A 23 LEU HDx% 1.0 2.0 6.0 165 148 A 24 SER HB3 A 23 LEU HDy% 1.0 2.0 6.0 166 149 A 24 SER HB2 A 25 THR HA 1.0 2.0 4.0 167 150 A 25 THR HA A 26 PHE H 1.0 2.0 3.5 168 151 A 25 THR HB A 26 PHE H 1.0 2.0 3.5 169 152 A 25 THR HG2% A 26 PHE H 1.0 2.0 6.0 170 153 A 25 THR HB A 26 PHE HE% 1.0 2.0 6.5 171 154 A 25 THR HG2% A 26 PHE HD% 1.0 2.0 7.5 172 155 A 25 THR HG2% A 26 PHE HE% 1.0 2.0 7.5 173 156 A 25 THR H A 26 PHE H 1.0 2.0 3.5 174 157 A 25 THR H A 26 PHE HD% 1.0 2.0 7.1 175 158 A 26 PHE HA A 27 LEU H 1.0 2.0 3.5 176 159 A 26 PHE H A 27 LEU H 1.0 2.0 3.5 177 160 A 26 PHE HA A 27 LEU HB2 1.0 2.0 6.0 178 160 A 26 PHE HA A 27 LEU HB3 1.0 2.0 6.0 179 161 A 26 PHE HB3 A 27 LEU H 1.0 2.0 5.0 180 162 A 26 PHE HB2 A 27 LEU H 1.0 2.0 5.0 181 163 A 26 PHE HB3 A 27 LEU HDx% 1.0 2.0 7.3 182 163 A 26 PHE HB3 A 27 LEU HDy% 1.0 2.0 7.3 183 164 A 26 PHE HB2 A 27 LEU HDx% 1.0 2.0 7.3 184 164 A 26 PHE HB2 A 27 LEU HDy% 1.0 2.0 7.3 185 165 A 26 PHE H A 27 LEU HB2 1.0 2.0 5.5 186 165 A 26 PHE H A 27 LEU HB3 1.0 2.0 5.5 187 166 A 26 PHE HD% A 27 LEU HA 1.0 2.0 7.1 188 167 A 17 ASP H A 17 ASP HA 1.0 2.4 3.0 189 168 A 18 GLY H A 18 GLY HAy 1.0 1.9 2.7 190 169 A 18 GLY H A 18 GLY HAx 1.0 1.9 2.7 191 170 A 17 ASP H A 17 ASP HBx 1.0 1.7 4.4 192 170 A 17 ASP H A 17 ASP HBy 1.0 1.7 4.4 193 171 A 18 GLY H A 17 ASP HA 1.0 1.9 3.0 194 172 A 19 GLU H A 18 GLY HAy 1.0 2.9 3.6 195 173 A 19 GLU H A 18 GLY HAx 1.0 2.9 3.6 196 174 A 19 GLU H A 17 ASP HA 1.0 2.0 4.5 197 175 A 18 GLY H A 17 ASP H 1.0 2.0 4.5 198 176 A 18 GLY H A 19 GLU H 1.0 2.1 2.7 199 177 A 19 GLU H A 17 ASP H 1.0 2.0 6.0 200 178 A 17 ASP HA A 18 GLY HAx 1.0 4.0 6.3 201 178 A 17 ASP HA A 18 GLY HAy 1.0 4.0 6.3 202 179 A 18 GLY HAy A 17 ASP HBx 1.0 4.5 9.5 203 179 A 17 ASP HBy A 18 GLY HAy 1.0 4.5 9.5 204 180 A 17 ASP HBy A 18 GLY HAx 1.0 4.5 9.5 205 180 A 17 ASP HBx A 18 GLY HAx 1.0 4.5 9.5 206 181 A 18 GLY H A 17 ASP HBy 1.0 3.3 4.6 207 182 A 18 GLY H A 17 ASP HBx 1.0 3.3 4.6 208 183 A 19 GLU H A 16 LYS HA 1.0 3.7 4.7 209 184 A 16 LYS H A 19 GLU H 1.0 2.0 3.3 210 185 A 12 ALA H A 12 ALA HA 1.0 2.3 3.3 211 186 A 13 TYR HA A 13 TYR H 1.0 2.3 3.3 212 187 A 19 GLU HA A 19 GLU H 1.0 2.3 3.3 213 188 A 20 TRP HA A 20 TRP H 1.0 2.3 3.3 214 189 A 21 VAL HA A 21 VAL H 1.0 2.3 3.3 215 190 A 22 LEU HA A 22 LEU H 1.0 2.3 3.3 216 191 A 23 LEU HA A 23 LEU H 1.0 2.3 3.3 217 192 A 12 ALA H A 12 ALA HB% 1.0 2.3 4.8 218 193 A 14 VAL H A 14 VAL HB 1.0 2.3 3.8 219 194 A 16 LYS H A 16 LYS HBx 1.0 2.3 4.8 220 194 A 16 LYS H A 16 LYS HBy 1.0 2.3 4.8 221 195 A 21 VAL H A 21 VAL HB 1.0 2.3 3.8 222 196 A 13 TYR H A 12 ALA HA 1.0 1.9 2.7 223 197 A 13 TYR HA A 14 VAL H 1.0 1.9 2.7 224 198 A 15 ARG H A 14 VAL HA 1.0 1.9 2.7 225 199 A 16 LYS H A 15 ARG HA 1.0 1.9 2.7 226 200 A 19 GLU HA A 20 TRP H 1.0 1.9 2.7 227 201 A 20 TRP HA A 21 VAL H 1.0 1.9 2.7 228 202 A 22 LEU H A 21 VAL HA 1.0 1.9 2.7 229 203 A 22 LEU HA A 23 LEU H 1.0 1.9 2.7 230 204 A 15 ARG H A 16 LYS HA 1.0 4.4 9.0 231 205 A 20 TRP H A 21 VAL HA 1.0 4.4 9.2 232 206 A 22 LEU H A 23 LEU HA 1.0 4.4 5.0 233 207 A 13 TYR H A 12 ALA H 1.0 4.0 5.0 234 208 A 15 ARG H A 16 LYS H 1.0 4.0 5.0 235 209 A 19 GLU H A 20 TRP H 1.0 4.0 5.0 236 210 A 22 LEU H A 23 LEU H 1.0 4.0 5.0 237 211 A 19 GLU HA A 20 TRP HB2 1.0 3.7 5.0 238 212 A 19 GLU HA A 20 TRP HB3 1.0 4.0 6.5 239 213 A 20 TRP HA A 21 VAL HB 1.0 3.7 5.0 240 214 A 13 TYR HA A 12 ALA HB% 1.0 3.9 6.7 241 215 A 16 LYS HA A 15 ARG HB2 1.0 3.9 6.7 242 215 A 15 ARG HB3 A 16 LYS HA 1.0 3.9 6.7 243 216 A 20 TRP HB2 A 21 VAL HA 1.0 3.9 5.2 244 217 A 20 TRP HB3 A 21 VAL HA 1.0 3.9 7.2 245 218 A 23 LEU HA A 22 LEU HB3 1.0 3.9 6.7 246 218 A 23 LEU HA A 22 LEU HB2 1.0 3.9 6.7 247 219 A 13 TYR H A 12 ALA HB% 1.0 2.9 5.5 248 220 A 13 TYR HB3 A 14 VAL H 1.0 2.9 4.8 249 221 A 13 TYR HB2 A 14 VAL H 1.0 2.9 4.8 250 222 A 15 ARG H A 14 VAL HB 1.0 2.9 3.7 251 223 A 22 LEU H A 21 VAL HB 1.0 2.9 3.7 252 224 A 23 LEU H A 22 LEU HB3 1.0 2.9 5.5 253 224 A 23 LEU H A 22 LEU HB2 1.0 2.9 5.5 254 225 A 13 TYR HA A 23 LEU H 1.0 2.7 3.7 255 226 A 23 LEU H A 12 ALA H 1.0 2.8 3.8 256 227 A 16 LYS H A 19 GLU H 1.0 2.8 3.8 257 228 A 13 TYR HA A 22 LEU HA 1.0 1.8 2.8 258 229 A 19 GLU N A 16 LYS O 1.0 2.8 3.5 259 230 A 19 GLU H A 16 LYS O 1.0 1.8 2.5 260 231 A 16 LYS N A 19 GLU O 1.0 2.8 3.5 261 232 A 16 LYS H A 19 GLU O 1.0 1.8 2.5 262 233 A 14 VAL N A 21 VAL O 1.0 2.8 3.5 263 234 A 14 VAL H A 21 VAL O 1.0 1.8 2.5 264 235 A 21 VAL N A 14 VAL O 1.0 2.8 3.5 265 236 A 21 VAL H A 14 VAL O 1.0 1.8 2.5 266 237 A 23 LEU N A 12 ALA O 1.0 2.8 3.5 267 238 A 23 LEU H A 12 ALA O 1.0 1.8 2.5 268 239 A 22 LEU HA A 12 ALA HB% 1.0 2.0 6.0 269 240 A 12 ALA H A 22 LEU HDx% 1.0 2.0 6.0 270 241 A 12 ALA H A 22 LEU HDy% 1.0 2.0 6.0 271 242 A 12 ALA HB% A 22 LEU HDx% 1.0 2.0 7.0 272 243 A 12 ALA HB% A 22 LEU HDy% 1.0 2.0 7.0 273 244 A 23 LEU H A 12 ALA HB% 1.0 2.0 6.0 274 245 A 12 ALA HB% A 23 LEU HDx% 1.0 2.0 7.0 275 246 A 12 ALA HB% A 23 LEU HDy% 1.0 2.0 7.0 276 247 A 13 TYR HD% A 22 LEU HA 1.0 2.0 6.0 277 248 A 22 LEU HA A 13 TYR HE% 1.0 2.0 6.0 278 249 A 13 TYR HD% A 22 LEU HB3 1.0 2.0 6.0 279 250 A 13 TYR HE% A 22 LEU HB3 1.0 2.0 6.0 280 251 A 13 TYR HD% A 22 LEU HB2 1.0 2.0 6.0 281 252 A 13 TYR HE% A 22 LEU HB2 1.0 2.0 6.0 282 253 A 13 TYR HD% A 22 LEU HG 1.0 2.0 6.0 283 254 A 13 TYR HE% A 22 LEU HG 1.0 2.0 6.0 284 255 A 13 TYR HD% A 22 LEU HDx% 1.0 2.0 8.0 285 256 A 13 TYR HD% A 22 LEU HDy% 1.0 2.0 8.0 286 257 A 13 TYR HE% A 22 LEU HDx% 1.0 2.0 8.0 287 258 A 13 TYR HE% A 22 LEU HDy% 1.0 2.0 8.0 288 259 A 13 TYR HD% A 22 LEU H 1.0 2.0 6.0 289 260 A 22 LEU H A 13 TYR HE% 1.0 2.0 6.0 290 261 A 13 TYR HA A 22 LEU HDy% 1.0 2.0 7.3 291 261 A 13 TYR HA A 22 LEU HDx% 1.0 2.0 7.3 292 262 A 13 TYR HB2 A 20 TRP HE3 1.0 2.0 5.0 293 263 A 13 TYR HD% A 20 TRP HE3 1.0 2.0 6.0 294 264 A 13 TYR HB2 A 20 TRP HZ3 1.0 2.0 5.0 295 265 A 13 TYR HD% A 20 TRP HA 1.0 2.0 6.0 296 266 A 13 TYR HD% A 20 TRP HB2 1.0 2.0 6.0 297 267 A 20 TRP HB2 A 13 TYR HE% 1.0 2.0 6.0 298 268 A 13 TYR HB2 A 20 TRP HB2 1.0 2.0 5.0 299 269 A 13 TYR HD% A 21 VAL HG1% 1.0 2.0 7.0 300 270 A 13 TYR HD% A 21 VAL HG2% 1.0 1.0 6.0 301 271 A 13 TYR HE% A 21 VAL HG1% 1.0 2.0 7.0 302 272 A 13 TYR HE% A 21 VAL HG2% 1.0 2.0 7.0 303 273 A 13 TYR HD% A 21 VAL HA 1.0 2.0 6.0 304 274 A 13 TYR HE% A 21 VAL HA 1.0 2.0 6.0 305 275 A 20 TRP HE3 A 14 VAL HA 1.0 2.0 5.0 306 276 A 13 TYR HD% A 14 VAL HGy% 1.0 2.0 8.4 307 276 A 13 TYR HD% A 14 VAL HGx% 1.0 2.0 8.4 308 277 A 15 ARG H A 20 TRP HE3 1.0 2.0 5.0 309 278 A 20 TRP HE3 A 15 ARG HA 1.0 2.0 5.0 310 279 A 15 ARG H A 20 TRP HZ3 1.0 2.0 5.0 311 280 A 14 VAL HGx% A 16 LYS HE3 1.0 2.0 7.0 312 280 A 14 VAL HGx% A 16 LYS HE2 1.0 2.0 7.0 313 281 A 16 LYS HE3 A 14 VAL HGy% 1.0 2.0 7.0 314 281 A 14 VAL HGy% A 16 LYS HE2 1.0 2.0 7.0 315 282 A 16 LYS H A 14 VAL HGy% 1.0 2.0 6.0 316 283 A 16 LYS H A 14 VAL HGx% 1.0 2.0 6.0 317 284 A 21 VAL HG1% A 16 LYS HBx 1.0 2.0 7.0 318 284 A 21 VAL HG1% A 16 LYS HBy 1.0 2.0 7.0 319 285 A 16 LYS HBx A 21 VAL HG2% 1.0 2.0 7.0 320 285 A 16 LYS HBy A 21 VAL HG2% 1.0 2.0 7.0 321 286 A 18 GLY H A 16 LYS HA 1.0 2.0 5.0 322 287 A 16 LYS H A 20 TRP HA 1.0 2.0 5.0 323 288 A 16 LYS HA A 19 GLU HGy 1.0 2.0 6.5 324 288 A 16 LYS HA A 19 GLU HGx 1.0 2.0 6.5 325 289 A 19 GLU H A 21 VAL HG2% 1.0 2.0 6.0 326 290 A 19 GLU HB2 A 21 VAL HG1% 1.0 2.0 6.0 327 291 A 19 GLU HB2 A 21 VAL HG2% 1.0 2.0 6.0 328 292 A 21 VAL HB A 14 VAL HGy% 1.0 2.0 7.3 329 292 A 21 VAL HB A 14 VAL HGx% 1.0 2.0 7.3 330 293 A 16 LYS H A 3 ILE HD1% 1.0 2.0 6.0 331 294 A 3 ILE HG2% A 6 ALA H 1.0 2.0 6.0 332 295 A 3 ILE HG2% A 20 TRP HE1 1.0 2.0 6.0 333 296 A 4 PRO HA A 2 TYR HD% 1.0 2.0 7.0 334 297 A 4 PRO HA A 2 TYR HE% 1.0 2.0 6.0 335 298 A 2 TYR HE% A 4 PRO HBx 1.0 2.0 7.1 336 298 A 4 PRO HBy A 2 TYR HE% 1.0 2.0 7.1 337 299 A 4 PRO HDy A 2 TYR HD% 1.0 2.0 7.0 338 300 A 4 PRO HDx A 2 TYR HD% 1.0 2.0 7.0 339 301 A 2 TYR HD% A 4 PRO HGx 1.0 2.0 8.1 340 301 A 4 PRO HGy A 2 TYR HD% 1.0 2.0 8.1 341 302 A 2 TYR HE% A 4 PRO HGx 1.0 2.0 8.1 342 302 A 4 PRO HGy A 2 TYR HE% 1.0 2.0 8.1 343 303 A 20 TRP HD1 A 4 PRO HGx 1.0 2.0 6.0 344 303 A 20 TRP HD1 A 4 PRO HGy 1.0 2.0 6.0 345 304 A 20 TRP HD1 A 4 PRO HDy 1.0 2.0 5.0 346 305 A 20 TRP HD1 A 4 PRO HDx 1.0 2.0 5.0 347 306 A 20 TRP HD1 A 4 PRO HBx 1.0 2.0 6.0 348 306 A 20 TRP HD1 A 4 PRO HBy 1.0 2.0 6.0 349 307 A 13 TYR HD% A 6 ALA HB% 1.0 2.0 6.0 350 308 A 6 ALA HB% A 13 TYR HE% 1.0 2.0 7.0 351 309 A 13 TYR HB2 A 6 ALA HB% 1.0 2.0 6.0 352 310 A 7 PRO HGy A 13 TYR HE% 1.0 2.0 6.0 353 311 A 13 TYR HE% A 7 PRO HGx 1.0 2.0 6.0 354 312 A 13 TYR HD% A 7 PRO HGy 1.0 2.0 7.0 355 313 A 13 TYR HD% A 7 PRO HGx 1.0 2.0 7.0 356 314 A 13 TYR HD% A 7 PRO HB2 1.0 2.0 8.0 357 314 A 13 TYR HD% A 7 PRO HB3 1.0 2.0 8.0 358 315 A 13 TYR HE% A 7 PRO HB2 1.0 2.0 8.0 359 315 A 7 PRO HB3 A 13 TYR HE% 1.0 2.0 8.0 360 316 A 7 PRO HDy A 13 TYR HE% 1.0 2.0 7.0 361 317 A 13 TYR HE% A 7 PRO HDx 1.0 2.0 7.0 362 318 A 13 TYR HD% A 7 PRO HDx 1.0 2.0 8.0 363 318 A 13 TYR HD% A 7 PRO HDy 1.0 2.0 8.0 364 319 A 20 TRP HD1 A 7 PRO HDx 1.0 2.0 6.0 365 319 A 20 TRP HD1 A 7 PRO HDy 1.0 2.0 6.0 366 320 A 20 TRP HB3 A 7 PRO HGx 1.0 2.0 6.0 367 320 A 20 TRP HB3 A 7 PRO HGy 1.0 2.0 6.0 368 321 A 20 TRP HB3 A 7 PRO HDx 1.0 2.0 6.0 369 321 A 20 TRP HB3 A 7 PRO HDy 1.0 2.0 6.0 370 322 A 8 ARG HA A 11 GLN H 1.0 2.0 5.0 371 323 A 9 ASP H A 13 TYR HE% 1.0 2.0 7.0 372 324 A 9 ASP H A 13 TYR HD% 1.0 2.0 7.0 373 325 A 9 ASP HA A 11 GLN H 1.0 2.0 4.0 374 326 A 9 ASP H A 11 GLN H 1.0 2.0 5.0 375 327 A 11 GLN H A 13 TYR HE% 1.0 2.0 7.0 376 328 A 11 GLN HA A 13 TYR HE% 1.0 2.0 7.0 377 329 A 13 TYR HD% A 11 GLN HBx 1.0 2.0 7.0 378 330 A 13 TYR HD% A 11 GLN HBy 1.0 2.0 7.0 379 331 A 11 GLN HBx A 13 TYR HE% 1.0 2.0 6.0 380 332 A 13 TYR HE% A 11 GLN HBy 1.0 2.0 6.0 381 333 A 11 GLN HA A 22 LEU HDx% 1.0 2.0 7.0 382 334 A 11 GLN HA A 22 LEU HDy% 1.0 2.0 7.0 383 335 A 11 GLN HGx A 22 LEU HDy% 1.0 2.0 6.0 384 336 A 11 GLN HGy A 22 LEU HDy% 1.0 2.0 6.0 385 337 A 11 GLN HBx A 22 LEU HDx% 1.0 2.0 5.0 386 338 A 22 LEU HDx% A 11 GLN HBy 1.0 2.0 5.0 387 339 A 11 GLN HBx A 22 LEU HDy% 1.0 2.0 5.0 388 340 A 11 GLN HBy A 22 LEU HDy% 1.0 2.0 5.0 389 341 A 26 PHE HD% A 14 VAL HGy% 1.0 2.0 8.4 390 341 A 26 PHE HD% A 14 VAL HGx% 1.0 2.0 8.4 391 342 A 26 PHE HE% A 14 VAL HGy% 1.0 2.0 8.4 392 342 A 26 PHE HE% A 14 VAL HGx% 1.0 2.0 8.4 393 343 A 26 PHE HE% A 14 VAL HB 1.0 2.0 7.0 394 344 A 26 PHE HD% A 21 VAL HG1% 1.0 2.0 8.0 395 345 A 21 VAL HG1% A 26 PHE HE% 1.0 2.0 6.0 396 346 A 24 SER H A 22 LEU HDx% 1.0 2.0 7.0 397 347 A 23 LEU HA A 26 PHE HE% 1.0 2.0 7.0 398 348 A 23 LEU HA A 26 PHE HD% 1.0 2.0 6.0 399 349 A 23 LEU HBy A 26 PHE HE% 1.0 2.0 6.0 400 350 A 23 LEU HBx A 26 PHE HE% 1.0 2.0 6.0 401 351 A 23 LEU HBy A 26 PHE HD% 1.0 2.0 6.0 402 352 A 23 LEU HBx A 26 PHE HD% 1.0 2.0 6.0 403 353 A 26 PHE HE% A 23 LEU HDy% 1.0 2.0 7.4 404 353 A 26 PHE HE% A 23 LEU HDx% 1.0 2.0 7.4 405 354 A 26 PHE HD% A 23 LEU HDy% 1.0 2.0 7.4 406 354 A 26 PHE HD% A 23 LEU HDx% 1.0 2.0 7.4 407 355 A 23 LEU HG A 26 PHE HD% 1.0 2.0 6.0 408 356 A 26 PHE HB3 A 23 LEU HDy% 1.0 2.0 7.4 409 356 A 26 PHE HB3 A 23 LEU HDx% 1.0 2.0 7.4 410 357 A 26 PHE HB2 A 23 LEU HDy% 1.0 2.0 7.4 411 357 A 26 PHE HB2 A 23 LEU HDx% 1.0 2.0 7.4 412 358 A 23 LEU HA A 26 PHE HB3 1.0 2.0 6.0 413 359 A 25 THR HB A 22 LEU HB3 1.0 2.0 6.0 414 359 A 25 THR HB A 22 LEU HB2 1.0 2.0 6.0 415 360 A 25 THR HG2% A 22 LEU HDx% 1.0 2.0 6.0 416 361 A 25 THR HG2% A 22 LEU HDy% 1.0 2.0 6.0 417 362 A 25 THR H A 23 LEU HDy% 1.0 2.0 8.3 418 362 A 25 THR H A 23 LEU HDx% 1.0 2.0 8.3 419 363 A 25 THR HA A 23 LEU HDy% 1.0 2.0 8.3 420 363 A 25 THR HA A 23 LEU HDx% 1.0 2.0 8.3 421 364 A 25 THR HG2% A 26 PHE HD% 1.0 3.0 8.3 422 365 A 25 THR HG2% A 26 PHE HE% 1.0 3.0 8.3 423 366 A 25 THR HB A 26 PHE HE% 1.0 3.0 7.3 424 367 A 25 THR HA A 27 LEU H 1.0 2.0 5.0 425 368 A 24 SER HA A 26 PHE H 1.0 2.0 5.0 426 369 A 27 LEU HA A 27 LEU HDx% 1.0 2.0 6.3 427 369 A 27 LEU HDy% A 27 LEU HA 1.0 2.0 6.3 stop_ save_