data_nef_c19987_2mpk 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 2MPK 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 MET start . . 2 A 2 GLY middle . false 3 A 3 THR middle . . 4 A 4 ILE middle . . 5 A 5 ASP middle . . 6 A 6 ASP middle . . 7 A 7 ALA middle . . 8 A 8 PHE middle . . 9 A 9 ARG middle . . 10 A 10 ALA middle . . 11 A 11 ILE middle . . 12 A 12 GLU middle . . 13 A 13 ARG middle . . 14 A 14 ALA middle . . 15 A 15 ILE middle . . 16 A 16 GLN middle . . 17 A 17 ALA middle . . 18 A 18 GLU middle . . 19 A 19 ASN middle . . 20 A 20 GLU middle . . 21 A 21 GLY middle . false 22 A 22 ARG middle . . 23 A 23 TYR middle . . 24 A 24 ARG middle . . 25 A 25 GLU middle . . 26 A 26 ALA middle . . 27 A 27 LEU middle . . 28 A 28 LYS middle . . 29 A 29 HIS middle . . 30 A 30 PHE middle . . 31 A 31 LEU middle . . 32 A 32 ASP middle . . 33 A 33 GLY middle . false 34 A 34 GLY middle . false 35 A 35 GLU middle . . 36 A 36 MET middle . . 37 A 37 ILE middle . . 38 A 38 VAL middle . . 39 A 39 THR middle . . 40 A 40 ALA middle . . 41 A 41 ALA middle . . 42 A 42 GLU middle . . 43 A 43 LYS middle . . 44 A 44 GLU middle . . 45 A 45 ALA middle . . 46 A 46 SER middle . . 47 A 47 GLN middle . . 48 A 48 LYS middle . . 49 A 49 VAL middle . . 50 A 50 ARG middle . . 51 A 51 ASN middle . . 52 A 52 LEU middle . . 53 A 53 LEU middle . . 54 A 54 LEU middle . . 55 A 55 HIS middle . . 56 A 56 LYS middle . . 57 A 57 GLY middle . false 58 A 58 LYS middle . . 59 A 59 GLU middle . . 60 A 60 VAL middle . . 61 A 61 LEU middle . . 62 A 62 GLU middle . . 63 A 63 TRP middle . . 64 A 64 ALA middle . . 65 A 65 GLU middle . . 66 A 66 HIS middle . . 67 A 67 LEU middle . . 68 A 68 ALA middle . . 69 A 69 GLU middle . . 70 A 70 TRP middle . . 71 A 71 ILE middle . . 72 A 72 LEU middle . . 73 A 73 GLU middle . . 74 A 74 HIS end . . stop_ save_ save_assigned_chem_shift_list_1 _nef_chemical_shift_list.sf_category nef_chemical_shift_list _nef_chemical_shift_list.sf_framecode assigned_chem_shift_list_1 loop_ _nef_chemical_shift.chain_code _nef_chemical_shift.sequence_code _nef_chemical_shift.residue_name _nef_chemical_shift.atom_name _nef_chemical_shift.element _nef_chemical_shift.isotope_number _nef_chemical_shift.value _nef_chemical_shift.value_uncertainty A 2 GLY H H 1 8.43 0.04 A 2 GLY HAx H 1 3.903 0.02 A 2 GLY HAy H 1 3.94 0.02 A 2 GLY C C 13 173.309 0.08 A 2 GLY CA C 13 43.45 0.08 A 2 GLY N N 15 115.116 0.1 A 3 THR H H 1 8.872 0.04 A 3 THR HA H 1 4.439 0.04 A 3 THR HG2% H 1 1.199 0.02 A 3 THR C C 13 178.4 0.08 A 3 THR CA C 13 61.723 0.08 A 3 THR CB C 13 71.3 0.08 A 3 THR CG2 C 13 21.78 0.08 A 3 THR N N 15 115.748 0.1 A 4 ILE H H 1 8.712 0.04 A 4 ILE HA H 1 3.543 0.04 A 4 ILE HB H 1 1.7 0.04 A 4 ILE HD1% H 1 0.84 0.02 A 4 ILE HG1x H 1 0.84 0.02 A 4 ILE HG1y H 1 1.51 0.02 A 4 ILE HG2% H 1 0.66 0.02 A 4 ILE C C 13 178.9 0.08 A 4 ILE CA C 13 65.45 0.08 A 4 ILE CB C 13 37.697 0.08 A 4 ILE CD1 C 13 13.4 0.08 A 4 ILE CG1 C 13 29.804 0.08 A 4 ILE CG2 C 13 17.6 0.08 A 4 ILE N N 15 125.134 0.1 A 5 ASP H H 1 7.846 0.04 A 5 ASP HA H 1 4.38 0.04 A 5 ASP HBx H 1 2.5 0.04 A 5 ASP C C 13 181.2 0.08 A 5 ASP CA C 13 57.05 0.08 A 5 ASP CB C 13 40.744 0.08 A 5 ASP N N 15 121.439 0.1 A 6 ASP H H 1 7.823 0.04 A 6 ASP HA H 1 4.24 0.04 A 6 ASP HBx H 1 2.611 0.02 A 6 ASP HBy H 1 2.746 0.02 A 6 ASP C C 13 181.744 0.08 A 6 ASP CA C 13 57.32 0.08 A 6 ASP CB C 13 40.536 0.08 A 6 ASP N N 15 121.7 0.1 A 7 ALA H H 1 7.575 0.04 A 7 ALA HA H 1 3.996 0.04 A 7 ALA HB% H 1 1.273 0.04 A 7 ALA C C 13 181.688 0.08 A 7 ALA CA C 13 55.257 0.08 A 7 ALA CB C 13 18.2 0.08 A 7 ALA N N 15 126.407 0.1 A 8 PHE H H 1 8.276 0.04 A 8 PHE HA H 1 4.11 0.04 A 8 PHE HBx H 1 3.14 0.02 A 8 PHE HBy H 1 3.21 0.02 A 8 PHE HEx H 1 7.115 0.02 A 8 PHE HEy H 1 7.115 0.02 A 8 PHE C C 13 180.421 0.08 A 8 PHE CA C 13 60.451 0.08 A 8 PHE CB C 13 38.8 0.08 A 8 PHE N N 15 119.897 0.1 A 9 ARG H H 1 8.09 0.04 A 9 ARG HA H 1 3.932 0.04 A 9 ARG HBy H 1 1.881 0.02 A 9 ARG HBx H 1 1.783 0.02 A 9 ARG HDx H 1 3.116 0.02 A 9 ARG HDy H 1 3.194 0.02 A 9 ARG HGx H 1 1.63 0.02 A 9 ARG HGy H 1 1.77 0.02 A 9 ARG C C 13 181.674 0.08 A 9 ARG CA C 13 59.344 0.08 A 9 ARG CB C 13 30.278 0.08 A 9 ARG CD C 13 43.5 0.08 A 9 ARG N N 15 119.481 0.1 A 10 ALA H H 1 7.88 0.04 A 10 ALA HA H 1 4 0.04 A 10 ALA HB% H 1 1.444 0.04 A 10 ALA CA C 13 55.191 0.08 A 10 ALA CB C 13 18.9 0.08 A 10 ALA N N 15 124.458 0.1 A 11 ILE H H 1 8.295 0.04 A 11 ILE HA H 1 3.52 0.04 A 11 ILE HB H 1 1.814 0.04 A 11 ILE HD1% H 1 0.94 0.02 A 11 ILE HG1x H 1 0.6 0.02 A 11 ILE HG1y H 1 1.83 0.02 A 11 ILE HG2% H 1 0.9 0.02 A 11 ILE CA C 13 65.682 0.08 A 11 ILE CB C 13 37.9 0.08 A 11 ILE CD1 C 13 15.24 0.08 A 11 ILE CG1 C 13 29.31 0.08 A 11 ILE CG2 C 13 19.4 0.08 A 11 ILE N N 15 122.084 0.1 A 12 GLU H H 1 8.3 0.04 A 12 GLU HA H 1 3.81 0.04 A 12 GLU HBy H 1 2.06 0.02 A 12 GLU HBx H 1 1.89 0.02 A 12 GLU HGx H 1 2.08 0.02 A 12 GLU HGy H 1 2.354 0.02 A 12 GLU C C 13 181.568 0.08 A 12 GLU CA C 13 59.845 0.08 A 12 GLU CB C 13 28.51 0.08 A 12 GLU CG C 13 35 0.08 A 12 GLU N N 15 121.897 0.1 A 13 ARG H H 1 7.91 0.04 A 13 ARG HA H 1 3.963 0.04 A 13 ARG HBy H 1 1.88 0.02 A 13 ARG HBx H 1 1.78 0.02 A 13 ARG HDx H 1 3.13 0.02 A 13 ARG HDy H 1 3.13 0.02 A 13 ARG HGy H 1 1.67 0.02 A 13 ARG HGx H 1 1.47 0.02 A 13 ARG CA C 13 59.397 0.08 A 13 ARG CB C 13 30.272 0.08 A 13 ARG CD C 13 43.49 0.08 A 13 ARG CG C 13 27.81 0.08 A 13 ARG N N 15 121.3 0.1 A 14 ALA H H 1 7.66 0.04 A 14 ALA HA H 1 4.01 0.04 A 14 ALA HB% H 1 1.442 0.04 A 14 ALA CA C 13 55.2 0.08 A 14 ALA CB C 13 18.9 0.08 A 14 ALA N N 15 125.443 0.1 A 15 ILE H H 1 8.317 0.04 A 15 ILE HA H 1 3.38 0.04 A 15 ILE HB H 1 1.86 0.04 A 15 ILE HD1% H 1 0.66 0.02 A 15 ILE HG1y H 1 1.76 0.02 A 15 ILE HG1x H 1 0.91 0.02 A 15 ILE HG2% H 1 0.77 0.02 A 15 ILE CA C 13 66.151 0.08 A 15 ILE CB C 13 38.34 0.08 A 15 ILE CD1 C 13 15.13 0.08 A 15 ILE CG1 C 13 31.18 0.08 A 15 ILE CG2 C 13 17.05 0.08 A 15 ILE N N 15 120.9 0.1 A 16 GLN H H 1 7.61 0.04 A 16 GLN HA H 1 3.94 0.04 A 16 GLN HBx H 1 2.03 0.02 A 16 GLN HBy H 1 2.03 0.02 A 16 GLN HGx H 1 2.34 0.02 A 16 GLN HGy H 1 2.42 0.02 A 16 GLN C C 13 178.789 0.08 A 16 GLN CA C 13 57.8 0.08 A 16 GLN CB C 13 28.2 0.08 A 16 GLN CG C 13 33.85 0.08 A 16 GLN N N 15 118.3 0.1 A 17 ALA H H 1 7.43 0.04 A 17 ALA HA H 1 4.12 0.04 A 17 ALA HB% H 1 1.299 0.04 A 17 ALA C C 13 180.552 0.08 A 17 ALA CA C 13 53 0.08 A 17 ALA CB C 13 19.1 0.08 A 17 ALA N N 15 122.8 0.1 A 18 GLU H H 1 7.61 0.04 A 18 GLU HA H 1 4.2 0.04 A 18 GLU HBy H 1 2.08 0.02 A 18 GLU HBx H 1 1.98 0.02 A 18 GLU HGx H 1 2.23 0.02 A 18 GLU HGy H 1 2.23 0.02 A 18 GLU C C 13 178.396 0.08 A 18 GLU CA C 13 55.91 0.08 A 18 GLU CB C 13 30 0.08 A 18 GLU CG C 13 35.9 0.08 A 18 GLU N N 15 122.5 0.1 A 19 ASN H H 1 8.171 0.04 A 19 ASN HA H 1 4.523 0.04 A 19 ASN HBx H 1 2.686 0.02 A 19 ASN HBy H 1 2.809 0.02 A 19 ASN HD2y H 1 7.526 0.02 A 19 ASN HD2x H 1 6.88 0.02 A 19 ASN CA C 13 54.021 0.08 A 19 ASN CB C 13 39.14 0.08 A 19 ASN N N 15 122.706 0.1 A 20 GLU H H 1 8.66 0.04 A 20 GLU HA H 1 4.245 0.04 A 20 GLU HBx H 1 1.94 0.02 A 20 GLU HBy H 1 2.07 0.02 A 20 GLU HGx H 1 2.24 0.02 A 20 GLU HGy H 1 2.24 0.02 A 20 GLU CA C 13 56.88 0.08 A 20 GLU CB C 13 29.6 0.08 A 20 GLU CG C 13 35.35 0.08 A 20 GLU N N 15 122.771 0.1 A 21 GLY H H 1 8.44 0.04 A 21 GLY HAx H 1 3.77 0.02 A 21 GLY HAy H 1 4.3 0.02 A 21 GLY CA C 13 45.9 0.08 A 21 GLY N N 15 114.594 0.1 A 22 ARG H H 1 8.63 0.04 A 22 ARG HA H 1 4 0.04 A 22 ARG HBx H 1 1.5 0.02 A 22 ARG HBy H 1 1.5 0.02 A 22 ARG HDx H 1 3.1 0.02 A 22 ARG HDy H 1 3.1 0.02 A 22 ARG HGx H 1 1.48 0.02 A 22 ARG HGy H 1 1.48 0.02 A 22 ARG CA C 13 59.26 0.08 A 22 ARG CB C 13 30.4 0.08 A 22 ARG CD C 13 43.12 0.08 A 22 ARG CG C 13 28.05 0.08 A 22 ARG N N 15 121.2 0.04 A 23 TYR H H 1 7.63 0.04 A 23 TYR HA H 1 4.2 0.04 A 23 TYR HBx H 1 2.9 0.02 A 23 TYR HBy H 1 3 0.02 A 23 TYR HDx H 1 7 0.02 A 23 TYR HDy H 1 7 0.02 A 23 TYR HEx H 1 6.77 0.02 A 23 TYR HEy H 1 6.77 0.02 A 23 TYR C C 13 180 0.08 A 23 TYR CA C 13 61.5 0.08 A 23 TYR CB C 13 37.725 0.08 A 23 TYR N N 15 118.4 0.1 A 24 ARG H H 1 8.115 0.04 A 24 ARG HA H 1 3.7 0.04 A 24 ARG HBy H 1 1.96 0.02 A 24 ARG HBx H 1 1.88 0.02 A 24 ARG HDx H 1 3.12 0.02 A 24 ARG HDy H 1 3.12 0.02 A 24 ARG HGx H 1 1.55 0.02 A 24 ARG HGy H 1 1.55 0.02 A 24 ARG C C 13 180.296 0.08 A 24 ARG CA C 13 60.719 0.08 A 24 ARG CB C 13 30.74 0.08 A 24 ARG CD C 13 43.7 0.08 A 24 ARG CG C 13 27.9 0.08 A 24 ARG N N 15 122.775 0.1 A 25 GLU H H 1 8.129 0.04 A 25 GLU HA H 1 3.838 0.04 A 25 GLU HBy H 1 2.091 0.02 A 25 GLU HBx H 1 1.938 0.02 A 25 GLU HGx H 1 2.28 0.02 A 25 GLU HGy H 1 2.34 0.02 A 25 GLU C C 13 181.79 0.08 A 25 GLU CA C 13 58.901 0.08 A 25 GLU CB C 13 29.415 0.08 A 25 GLU CG C 13 35.9 0.08 A 25 GLU N N 15 118.953 0.1 A 26 ALA H H 1 8.322 0.04 A 26 ALA HA H 1 3.897 0.04 A 26 ALA HB% H 1 1.56 0.04 A 26 ALA C C 13 180.8 0.08 A 26 ALA CA C 13 56.069 0.08 A 26 ALA CB C 13 18.315 0.08 A 26 ALA N N 15 125.639 0.1 A 27 LEU H H 1 8 0.04 A 27 LEU HA H 1 4.08 0.04 A 27 LEU HBy H 1 2.053 0.02 A 27 LEU HBx H 1 1.234 0.02 A 27 LEU HDx% H 1 0.91 0.02 A 27 LEU HDy% H 1 0.8 0.02 A 27 LEU HG H 1 2 0.04 A 27 LEU CA C 13 58.3 0.08 A 27 LEU CB C 13 42.3 0.08 A 27 LEU CDx C 13 22.85 0.08 A 27 LEU CDy C 13 25.6 0.08 A 27 LEU CG C 13 26.78 0.08 A 27 LEU N N 15 117.6 0.1 A 28 LYS H H 1 7.971 0.04 A 28 LYS HA H 1 3.779 0.04 A 28 LYS HBy H 1 1.82 0.02 A 28 LYS HBx H 1 1.578 0.02 A 28 LYS HDx H 1 1.4 0.02 A 28 LYS HDy H 1 1.4 0.02 A 28 LYS HEx H 1 2.79 0.02 A 28 LYS HEy H 1 2.86 0.02 A 28 LYS HGx H 1 1.32 0.02 A 28 LYS HGy H 1 1.32 0.02 A 28 LYS C C 13 179.4 0.08 A 28 LYS CA C 13 58.297 0.08 A 28 LYS CB C 13 32.2 0.08 A 28 LYS CD C 13 28.9 0.08 A 28 LYS CE C 13 42.1 0.08 A 28 LYS CG C 13 25.05 0.08 A 28 LYS N N 15 121.2 0.1 A 29 HIS H H 1 7.67 0.04 A 29 HIS HA H 1 4.55 0.04 A 29 HIS HBy H 1 3.163 0.02 A 29 HIS HBx H 1 2.928 0.02 A 29 HIS HD2 H 1 7.16 0.04 A 29 HIS C C 13 178.209 0.08 A 29 HIS CA C 13 55.4 0.08 A 29 HIS N N 15 119.923 0.1 A 30 PHE H H 1 7.906 0.04 A 30 PHE HA H 1 4.532 0.04 A 30 PHE HBx H 1 3.16 0.02 A 30 PHE HBy H 1 3.24 0.02 A 30 PHE HDx H 1 7.28 0.02 A 30 PHE HDy H 1 7.28 0.02 A 30 PHE HEx H 1 7.19 0.02 A 30 PHE HEy H 1 7.19 0.02 A 30 PHE C C 13 180.101 0.08 A 30 PHE CA C 13 60.962 0.08 A 30 PHE CB C 13 38.315 0.08 A 30 PHE N N 15 120.6 0.1 A 31 LEU H H 1 8.428 0.04 A 31 LEU HA H 1 3.964 0.04 A 31 LEU HBx H 1 1.49 0.02 A 31 LEU HBy H 1 1.882 0.02 A 31 LEU HDx% H 1 0.78 0.02 A 31 LEU HDy% H 1 0.7 0.02 A 31 LEU C C 13 180.185 0.08 A 31 LEU CA C 13 58.458 0.08 A 31 LEU CB C 13 42.216 0.08 A 31 LEU CDx C 13 24.7 0.08 A 31 LEU CDy C 13 26.1 0.08 A 31 LEU CG C 13 26.7 0.08 A 31 LEU N N 15 123.705 0.1 A 32 ASP H H 1 8.6 0.04 A 32 ASP HA H 1 4.123 0.04 A 32 ASP HBx H 1 1.71 0.02 A 32 ASP HBy H 1 1.71 0.02 A 32 ASP C C 13 182.699 0.08 A 32 ASP CA C 13 56.8 0.08 A 32 ASP CB C 13 38.5 0.08 A 32 ASP N N 15 121.2 0.1 A 33 GLY H H 1 8.59 0.04 A 33 GLY HAy H 1 3.493 0.02 A 33 GLY HAx H 1 3.165 0.02 A 33 GLY C C 13 178.2 0.08 A 33 GLY CA C 13 48.092 0.08 A 33 GLY N N 15 109.8 0.1 A 34 GLY H H 1 8.891 0.04 A 34 GLY HAy H 1 3.902 0.02 A 34 GLY HAx H 1 3.801 0.02 A 34 GLY C C 13 177.497 0.08 A 34 GLY CA C 13 47.9 0.08 A 34 GLY N N 15 113.215 0.1 A 35 GLU H H 1 8.92 0.04 A 35 GLU HA H 1 4.129 0.04 A 35 GLU HBy H 1 2.16 0.02 A 35 GLU HBx H 1 2.08 0.02 A 35 GLU HGy H 1 2.35 0.02 A 35 GLU HGx H 1 2.2 0.02 A 35 GLU C C 13 181.687 0.08 A 35 GLU CA C 13 59.458 0.08 A 35 GLU CB C 13 28.4 0.08 A 35 GLU CG C 13 34 0.08 A 35 GLU N N 15 123.4 0.1 A 36 MET H H 1 8.098 0.04 A 36 MET HA H 1 4.127 0.04 A 36 MET HBy H 1 2.35 0.02 A 36 MET HBx H 1 2.03 0.02 A 36 MET HGy H 1 2.83 0.02 A 36 MET HGx H 1 2.55 0.02 A 36 MET C C 13 181.05 0.08 A 36 MET CA C 13 59.399 0.08 A 36 MET CB C 13 33.2 0.08 A 36 MET CG C 13 33.943 0.08 A 36 MET N N 15 121.995 0.1 A 37 ILE H H 1 7.984 0.04 A 37 ILE HA H 1 3.889 0.04 A 37 ILE HB H 1 2.38 0.04 A 37 ILE HD1% H 1 1 0.02 A 37 ILE HG1y H 1 1.95 0.02 A 37 ILE HG1x H 1 1.75 0.02 A 37 ILE HG2% H 1 1.02 0.04 A 37 ILE C C 13 179.434 0.08 A 37 ILE CA C 13 63.177 0.08 A 37 ILE CB C 13 36.411 0.08 A 37 ILE CD1 C 13 11.2 0.08 A 37 ILE CG1 C 13 27.9 0.08 A 37 ILE CG2 C 13 18.5 0.08 A 37 ILE N N 15 121.6 0.1 A 38 VAL H H 1 7.98 0.04 A 38 VAL HA H 1 3.569 0.04 A 38 VAL HB H 1 2.282 0.04 A 38 VAL HGx% H 1 1.082 0.02 A 38 VAL HGy% H 1 0.94 0.02 A 38 VAL C C 13 180.416 0.08 A 38 VAL CA C 13 67.302 0.08 A 38 VAL CB C 13 31.6 0.08 A 38 VAL CGy C 13 22.6 0.08 A 38 VAL CGx C 13 21.23 0.08 A 38 VAL N N 15 121.9 0.1 A 39 THR H H 1 8.34 0.04 A 39 THR HA H 1 3.894 0.04 A 39 THR HB H 1 4.103 0.04 A 39 THR HG2% H 1 1.14 0.04 A 39 THR C C 13 179.461 0.08 A 39 THR CA C 13 66.393 0.08 A 39 THR CB C 13 69.3 0.08 A 39 THR CG2 C 13 21.795 0.08 A 39 THR N N 15 117.704 0.1 A 40 ALA H H 1 8.14 0.04 A 40 ALA HA H 1 3.863 0.04 A 40 ALA HB% H 1 1.16 0.04 A 40 ALA C C 13 183.3 0.08 A 40 ALA CA C 13 55.162 0.08 A 40 ALA CB C 13 18.001 0.08 A 40 ALA N N 15 126.4 0.1 A 41 ALA H H 1 8.49 0.04 A 41 ALA HA H 1 3.96 0.04 A 41 ALA HB% H 1 1.61 0.04 A 41 ALA C C 13 181.903 0.08 A 41 ALA CA C 13 55.304 0.08 A 41 ALA CB C 13 19.022 0.08 A 41 ALA N N 15 123.8 0.1 A 42 GLU H H 1 7.507 0.04 A 42 GLU HA H 1 3.963 0.04 A 42 GLU HBy H 1 2.13 0.02 A 42 GLU HBx H 1 2.05 0.02 A 42 GLU HGy H 1 2.6 0.02 A 42 GLU HGx H 1 2.42 0.02 A 42 GLU C C 13 180.24 0.08 A 42 GLU CA C 13 58.1 0.08 A 42 GLU CB C 13 29 0.08 A 42 GLU CG C 13 34.9 0.08 A 42 GLU N N 15 115.497 0.1 A 43 LYS H H 1 7.4 0.04 A 43 LYS HA H 1 4.298 0.04 A 43 LYS HBx H 1 1.748 0.02 A 43 LYS HBy H 1 2.04 0.02 A 43 LYS HDx H 1 1.59 0.02 A 43 LYS HDy H 1 1.59 0.02 A 43 LYS HGx H 1 1.46 0.02 A 43 LYS HGy H 1 1.46 0.02 A 43 LYS C C 13 179.5 0.08 A 43 LYS CA C 13 55.203 0.08 A 43 LYS CB C 13 32.63 0.08 A 43 LYS CD C 13 28.5 0.08 A 43 LYS CE C 13 42.184 0.08 A 43 LYS CG C 13 24.7 0.08 A 43 LYS N N 15 118.3 0.1 A 44 GLU H H 1 7.46 0.04 A 44 GLU HA H 1 4.19 0.04 A 44 GLU HBy H 1 2.14 0.02 A 44 GLU HBx H 1 2.01 0.02 A 44 GLU HGx H 1 2.3 0.02 A 44 GLU HGy H 1 2.61 0.02 A 44 GLU C C 13 178.824 0.08 A 44 GLU CA C 13 56.47 0.08 A 44 GLU CG C 13 36.03 0.08 A 44 GLU N N 15 124.1 0.1 A 45 ALA H H 1 8.501 0.04 A 45 ALA HA H 1 4.107 0.04 A 45 ALA HB% H 1 1.42 0.04 A 45 ALA CA C 13 54.171 0.08 A 45 ALA CB C 13 19.5 0.08 A 45 ALA N N 15 129.098 0.1 A 46 SER H H 1 8.56 0.04 A 46 SER HA H 1 4.61 0.04 A 46 SER HBx H 1 4 0.04 A 46 SER HBy H 1 4 0.04 A 46 SER CA C 13 56.3 0.08 A 46 SER CB C 13 63.29 0.08 A 46 SER N N 15 115.5 0.1 A 47 GLN H H 1 9.158 0.04 A 47 GLN HA H 1 3.8 0.04 A 47 GLN HBy H 1 2.14 0.02 A 47 GLN HBx H 1 2.05 0.02 A 47 GLN HGx H 1 2.365 0.02 A 47 GLN HGy H 1 2.365 0.02 A 47 GLN CA C 13 59.36 0.08 A 47 GLN CB C 13 28.203 0.08 A 47 GLN CG C 13 33.7 0.08 A 47 GLN N N 15 133.5 0.1 A 48 LYS H H 1 8.15 0.04 A 48 LYS HA H 1 4.022 0.04 A 48 LYS HBy H 1 1.809 0.02 A 48 LYS HBx H 1 1.71 0.02 A 48 LYS HDx H 1 1.6 0.02 A 48 LYS HDy H 1 1.6 0.02 A 48 LYS HEx H 1 2.96 0.02 A 48 LYS HEy H 1 2.96 0.02 A 48 LYS HGy H 1 1.5 0.02 A 48 LYS HGx H 1 1.35 0.02 A 48 LYS C C 13 181.969 0.08 A 48 LYS CA C 13 59.53 0.08 A 48 LYS CB C 13 32.604 0.08 A 48 LYS CD C 13 29 0.08 A 48 LYS CE C 13 42.1 0.08 A 48 LYS CG C 13 25.26 0.08 A 48 LYS N N 15 121.01 0.1 A 49 VAL H H 1 7.258 0.04 A 49 VAL HA H 1 3.59 0.04 A 49 VAL HB H 1 2.159 0.04 A 49 VAL HGx% H 1 1.12 0.02 A 49 VAL HGy% H 1 1 0.02 A 49 VAL C C 13 179.395 0.08 A 49 VAL CA C 13 66.263 0.08 A 49 VAL CB C 13 32.09 0.08 A 49 VAL CGy C 13 22.7 0.08 A 49 VAL CGx C 13 22 0.08 A 49 VAL N N 15 123.8 0.1 A 50 ARG H H 1 8.489 0.04 A 50 ARG HA H 1 3.8 0.04 A 50 ARG HBx H 1 1.779 0.02 A 50 ARG HBy H 1 1.94 0.02 A 50 ARG HDx H 1 3.21 0.02 A 50 ARG HDy H 1 3.21 0.02 A 50 ARG HGx H 1 1.45 0.02 A 50 ARG HGy H 1 1.67 0.02 A 50 ARG C C 13 180.319 0.08 A 50 ARG CA C 13 60.425 0.08 A 50 ARG CB C 13 30.751 0.08 A 50 ARG CD C 13 44.12 0.08 A 50 ARG CG C 13 26.62 0.08 A 50 ARG N N 15 123.299 0.1 A 51 ASN H H 1 8.283 0.04 A 51 ASN HA H 1 4.33 0.04 A 51 ASN HBx H 1 2.64 0.02 A 51 ASN HBy H 1 2.814 0.02 A 51 ASN C C 13 180.704 0.08 A 51 ASN CA C 13 56.151 0.08 A 51 ASN CB C 13 37.903 0.08 A 51 ASN N N 15 117.4 0.1 A 52 LEU H H 1 7.55 0.04 A 52 LEU HA H 1 4.04 0.04 A 52 LEU HBx H 1 1.52 0.02 A 52 LEU HBy H 1 1.64 0.02 A 52 LEU HDx% H 1 0.16 0.02 A 52 LEU HDy% H 1 0.44 0.02 A 52 LEU HG H 1 1.21 0.04 A 52 LEU C C 13 181.214 0.08 A 52 LEU CA C 13 58.258 0.08 A 52 LEU CB C 13 41.7 0.08 A 52 LEU CDx C 13 23.62 0.08 A 52 LEU CDy C 13 24.28 0.08 A 52 LEU CG C 13 26.99 0.08 A 52 LEU N N 15 125.806 0.1 A 53 LEU H H 1 8.36 0.04 A 53 LEU HA H 1 3.674 0.04 A 53 LEU HBx H 1 1.26 0.02 A 53 LEU HBy H 1 1.84 0.02 A 53 LEU HDx% H 1 1 0.02 A 53 LEU HDy% H 1 0.4 0.02 A 53 LEU HG H 1 0.86 0.04 A 53 LEU C C 13 181.637 0.08 A 53 LEU CA C 13 57.989 0.08 A 53 LEU CB C 13 42.63 0.08 A 53 LEU CDx C 13 21.89 0.08 A 53 LEU CDy C 13 21.89 0.08 A 53 LEU CG C 13 26.7 0.08 A 53 LEU N N 15 122.7 0.1 A 54 LEU H H 1 8.605 0.04 A 54 LEU HA H 1 3.94 0.04 A 54 LEU HBy H 1 1.85 0.02 A 54 LEU HBx H 1 1.42 0.02 A 54 LEU HDx% H 1 0.86 0.02 A 54 LEU HDy% H 1 0.9 0.02 A 54 LEU HG H 1 1.74 0.04 A 54 LEU C C 13 182.157 0.08 A 54 LEU CA C 13 58.4 0.08 A 54 LEU CB C 13 41.64 0.08 A 54 LEU CDy C 13 25.03 0.08 A 54 LEU CDx C 13 24.04 0.08 A 54 LEU CG C 13 26.9 0.08 A 54 LEU N N 15 123 0.1 A 55 HIS H H 1 7.785 0.04 A 55 HIS HA H 1 4.196 0.04 A 55 HIS HBy H 1 3.418 0.02 A 55 HIS HBx H 1 3.315 0.02 A 55 HIS HD2 H 1 7.16 0.04 A 55 HIS HE1 H 1 8 0.04 A 55 HIS C C 13 180.151 0.08 A 55 HIS CA C 13 59.663 0.08 A 55 HIS CB C 13 27.6 0.08 A 55 HIS N N 15 120.612 0.1 A 56 LYS H H 1 8.33 0.04 A 56 LYS HA H 1 4.305 0.04 A 56 LYS HBx H 1 1.733 0.02 A 56 LYS HBy H 1 2.068 0.02 A 56 LYS HGy H 1 1.51 0.02 A 56 LYS HGx H 1 1.097 0.02 A 56 LYS C C 13 181.205 0.08 A 56 LYS CA C 13 58.238 0.08 A 56 LYS CB C 13 31.2 0.08 A 56 LYS CD C 13 27.88 0.08 A 56 LYS CE C 13 41.623 0.08 A 56 LYS CG C 13 24.51 0.08 A 56 LYS N N 15 122.107 0.1 A 57 GLY H H 1 8.868 0.04 A 57 GLY HAy H 1 3.72 0.02 A 57 GLY HAx H 1 3.518 0.02 A 57 GLY C C 13 176.4 0.08 A 57 GLY CA C 13 47.3 0.08 A 57 GLY N N 15 109.3 0.1 A 58 LYS H H 1 8.021 0.04 A 58 LYS HA H 1 3.655 0.04 A 58 LYS HBy H 1 1.87 0.02 A 58 LYS HBx H 1 1.69 0.02 A 58 LYS HDx H 1 1.55 0.02 A 58 LYS HDy H 1 1.55 0.02 A 58 LYS HEx H 1 2.82 0.02 A 58 LYS HEy H 1 2.82 0.02 A 58 LYS HGy H 1 1.27 0.02 A 58 LYS HGx H 1 1.16 0.02 A 58 LYS C C 13 180.159 0.08 A 58 LYS CA C 13 60.492 0.08 A 58 LYS CB C 13 32.33 0.08 A 58 LYS CD C 13 29.61 0.08 A 58 LYS CE C 13 42.16 0.08 A 58 LYS CG C 13 25.54 0.08 A 58 LYS N N 15 123.3 0.1 A 59 GLU H H 1 8.04 0.04 A 59 GLU HA H 1 3.88 0.04 A 59 GLU HBy H 1 2.317 0.02 A 59 GLU HBx H 1 1.96 0.02 A 59 GLU HGy H 1 2.32 0.02 A 59 GLU HGx H 1 2.12 0.02 A 59 GLU C C 13 182.277 0.08 A 59 GLU CA C 13 59.415 0.08 A 59 GLU CB C 13 29.907 0.08 A 59 GLU CG C 13 36.074 0.08 A 59 GLU N N 15 120.785 0.1 A 60 VAL H H 1 7.43 0.04 A 60 VAL HA H 1 3.632 0.04 A 60 VAL HB H 1 0.18 0.04 A 60 VAL HGx% H 1 0.86 0.02 A 60 VAL HGy% H 1 -0.01 0.02 A 60 VAL C C 13 179.101 0.08 A 60 VAL CA C 13 63.873 0.08 A 60 VAL CB C 13 29.99 0.08 A 60 VAL CGy C 13 22.03 0.08 A 60 VAL CGx C 13 19.5 0.08 A 60 VAL N N 15 122.1 0.1 A 61 LEU H H 1 7.794 0.04 A 61 LEU HA H 1 4.01 0.04 A 61 LEU HBy H 1 1.792 0.02 A 61 LEU HBx H 1 1.06 0.02 A 61 LEU HDx% H 1 0.56 0.02 A 61 LEU HDy% H 1 0.892 0.02 A 61 LEU HG H 1 1.75 0.04 A 61 LEU C C 13 181.589 0.08 A 61 LEU CA C 13 58.074 0.08 A 61 LEU CB C 13 41.15 0.08 A 61 LEU CDy C 13 26.24 0.08 A 61 LEU CDx C 13 23.39 0.08 A 61 LEU CG C 13 27.18 0.08 A 61 LEU N N 15 126.812 0.1 A 62 GLU H H 1 8.472 0.04 A 62 GLU HA H 1 3.818 0.04 A 62 GLU HBy H 1 1.973 0.02 A 62 GLU HBx H 1 1.761 0.02 A 62 GLU HGy H 1 2.34 0.02 A 62 GLU HGx H 1 1.98 0.02 A 62 GLU CA C 13 59.75 0.08 A 62 GLU CB C 13 28.7 0.08 A 62 GLU CG C 13 37.2 0.08 A 62 GLU N N 15 122.3 0.1 A 63 TRP H H 1 7.96 0.04 A 63 TRP HA H 1 3.85 0.04 A 63 TRP HBx H 1 2.97 0.02 A 63 TRP HBy H 1 3.21 0.02 A 63 TRP HH2 H 1 7.06 0.04 A 63 TRP HZ3 H 1 6.84 0.04 A 63 TRP CA C 13 62.401 0.08 A 63 TRP CB C 13 28.312 0.08 A 63 TRP N N 15 124.3 0.1 A 64 ALA H H 1 8.988 0.04 A 64 ALA HA H 1 3.492 0.04 A 64 ALA HB% H 1 1.47 0.04 A 64 ALA CA C 13 54.81 0.08 A 64 ALA CB C 13 17.58 0.08 A 64 ALA N N 15 126.1 0.1 A 65 GLU H H 1 8.57 0.04 A 65 GLU HA H 1 3.699 0.04 A 65 GLU HBx H 1 1.95 0.02 A 65 GLU HBy H 1 2.16 0.02 A 65 GLU HGx H 1 1.99 0.02 A 65 GLU HGy H 1 2.17 0.02 A 65 GLU CA C 13 59.51 0.08 A 65 GLU CB C 13 28.4 0.08 A 65 GLU CG C 13 33.6 0.08 A 65 GLU N N 15 124.2 0.1 A 66 HIS H H 1 7.75 0.04 A 66 HIS HA H 1 4.45 0.04 A 66 HIS HBy H 1 3.06 0.02 A 66 HIS HBx H 1 3.04 0.02 A 66 HIS HD2 H 1 7.19 0.04 A 66 HIS HE1 H 1 7.94 0.04 A 66 HIS CA C 13 57.877 0.08 A 66 HIS CB C 13 27.35 0.08 A 66 HIS N N 15 120 0.1 A 67 LEU H H 1 7.7 0.04 A 67 LEU HA H 1 3.864 0.04 A 67 LEU HBy H 1 1.48 0.02 A 67 LEU HBx H 1 0.29 0.02 A 67 LEU HDx% H 1 0.72 0.02 A 67 LEU HDy% H 1 0.52 0.02 A 67 LEU HG H 1 1.39 0.04 A 67 LEU C C 13 180.2 0.08 A 67 LEU CA C 13 57.939 0.08 A 67 LEU CB C 13 40.43 0.08 A 67 LEU CDy C 13 26.42 0.08 A 67 LEU CDx C 13 22.36 0.08 A 67 LEU CG C 13 26.57 0.08 A 67 LEU N N 15 126.6 0.1 A 68 ALA H H 1 8.734 0.04 A 68 ALA HA H 1 3.762 0.04 A 68 ALA HB% H 1 1.41 0.04 A 68 ALA C C 13 181.4 0.08 A 68 ALA CA C 13 55.43 0.08 A 68 ALA CB C 13 18.01 0.08 A 68 ALA N N 15 124.6 0.1 A 69 GLU H H 1 7.92 0.04 A 69 GLU HA H 1 3.833 0.04 A 69 GLU HBy H 1 2.16 0.02 A 69 GLU HBx H 1 1.97 0.02 A 69 GLU HGy H 1 2.44 0.02 A 69 GLU HGx H 1 2.28 0.02 A 69 GLU C C 13 181.181 0.08 A 69 GLU CA C 13 59.27 0.08 A 69 GLU CB C 13 29.3 0.08 A 69 GLU CG C 13 35.3 0.08 A 69 GLU N N 15 119 0.1 A 70 TRP H H 1 7.773 0.04 A 70 TRP HA H 1 3.975 0.04 A 70 TRP HBx H 1 3.18 0.02 A 70 TRP HBy H 1 3.47 0.02 A 70 TRP HD1 H 1 7.17 0.04 A 70 TRP HH2 H 1 7.05 0.04 A 70 TRP C C 13 181.639 0.08 A 70 TRP CA C 13 62.791 0.08 A 70 TRP CB C 13 28.8 0.08 A 70 TRP N N 15 124.1 0.1 A 71 ILE H H 1 8.801 0.04 A 71 ILE HA H 1 2.998 0.04 A 71 ILE HB H 1 1.86 0.04 A 71 ILE HD1% H 1 0.65 0.02 A 71 ILE HG1x H 1 0.75 0.02 A 71 ILE HG1y H 1 1.923 0.02 A 71 ILE HG2% H 1 0.52 0.02 A 71 ILE C C 13 180.222 0.08 A 71 ILE CA C 13 65.591 0.08 A 71 ILE CB C 13 37.852 0.08 A 71 ILE CD1 C 13 14.12 0.08 A 71 ILE CG1 C 13 29.24 0.08 A 71 ILE CG2 C 13 16.88 0.08 A 71 ILE N N 15 124.4 0.1 A 72 LEU H H 1 8.165 0.04 A 72 LEU HA H 1 3.83 0.04 A 72 LEU HBy H 1 1.707 0.02 A 72 LEU HBx H 1 1.39 0.02 A 72 LEU HDx% H 1 0.75 0.02 A 72 LEU HDy% H 1 0.75 0.02 A 72 LEU HG H 1 1.63 0.04 A 72 LEU C C 13 181.794 0.08 A 72 LEU CA C 13 58.092 0.08 A 72 LEU CB C 13 41.64 0.08 A 72 LEU CDy C 13 24.89 0.08 A 72 LEU CDx C 13 23.53 0.08 A 72 LEU CG C 13 26.99 0.08 A 72 LEU N N 15 122.292 0.1 A 73 GLU H H 1 7.544 0.04 A 73 GLU HBy H 1 1.75 0.02 A 73 GLU HBx H 1 1.62 0.02 A 73 GLU C C 13 180.821 0.08 A 73 GLU CA C 13 58.263 0.08 A 73 GLU CB C 13 29.1 0.08 A 73 GLU CG C 13 35.3 0.08 A 73 GLU N N 15 120 0.1 A 74 HIS H H 1 7.8 0.04 A 74 HIS HA H 1 4.02 0.04 A 74 HIS CA C 13 55.53 0.08 A 74 HIS N N 15 119 0.1 stop_ save_ save_DYANA/DIANA_distance_constraints_3 _nef_distance_restraint_list.sf_category nef_distance_restraint_list _nef_distance_restraint_list.sf_framecode DYANA/DIANA_distance_constraints_3 _nef_distance_restraint_list.restraint_origin noe _nef_distance_restraint_list.potential_type upper-bound-parabolic loop_ _nef_distance_restraint.index _nef_distance_restraint.restraint_id _nef_distance_restraint.chain_code_1 _nef_distance_restraint.sequence_code_1 _nef_distance_restraint.residue_name_1 _nef_distance_restraint.atom_name_1 _nef_distance_restraint.chain_code_2 _nef_distance_restraint.sequence_code_2 _nef_distance_restraint.residue_name_2 _nef_distance_restraint.atom_name_2 _nef_distance_restraint.weight _nef_distance_restraint.lower_limit _nef_distance_restraint.upper_limit 1 1 A 2 GLY H A 3 THR HG2% 1.0 . 4.39 2 2 A 3 THR HG2% A 2 GLY HAx 1.0 . 4.57 3 3 A 3 THR HG2% A 2 GLY HAy 1.0 . 4.57 4 4 A 3 THR H A 2 GLY HAx 1.0 . 2.91 5 4 A 2 GLY HAy A 3 THR H 1.0 . 2.91 6 5 A 3 THR HG2% A 2 GLY HAx 1.0 . 3.89 7 5 A 3 THR HG2% A 2 GLY HAy 1.0 . 3.89 8 6 A 3 THR HG2% A 3 THR H 1.0 . 4.50 9 7 A 3 THR H A 4 ILE H 1.0 . 4.66 10 8 A 3 THR H A 6 ASP H 1.0 . 3.99 11 9 A 3 THR H A 6 ASP HA 1.0 . 5.30 12 10 A 3 THR H A 6 ASP HBx 1.0 . 4.17 13 11 A 3 THR H A 6 ASP HBy 1.0 . 4.17 14 12 A 3 THR H A 6 ASP HBy 1.0 . 3.60 15 12 A 3 THR H A 6 ASP HBx 1.0 . 3.60 16 13 A 3 THR HG2% A 3 THR HA 1.0 . 4.50 17 14 A 4 ILE H A 3 THR HA 1.0 . 2.96 18 15 A 3 THR HA A 4 ILE HB 1.0 . 4.81 19 16 A 3 THR HA A 4 ILE HG2% 1.0 . 6.00 20 17 A 3 THR HA A 5 ASP H 1.0 . 4.43 21 18 A 3 THR HA A 6 ASP HBy 1.0 . 5.14 22 18 A 6 ASP HBx A 3 THR HA 1.0 . 5.14 23 19 A 3 THR HG2% A 4 ILE H 1.0 . 3.75 24 20 A 3 THR HG2% A 5 ASP H 1.0 . 4.33 25 21 A 4 ILE H A 4 ILE HB 1.0 . 3.29 26 22 A 4 ILE H A 4 ILE HG2% 1.0 . 3.92 27 23 A 4 ILE H A 4 ILE HG1x 1.0 . 3.87 28 24 A 4 ILE H A 4 ILE HG1y 1.0 . 4.61 29 25 A 4 ILE H A 4 ILE HD1% 1.0 . 4.32 30 26 A 4 ILE H A 5 ASP H 1.0 . 3.45 31 27 A 4 ILE HG2% A 4 ILE HA 1.0 . 3.46 32 28 A 4 ILE HG1x A 4 ILE HA 1.0 . 3.87 33 29 A 4 ILE HG1y A 4 ILE HA 1.0 . 4.04 34 30 A 4 ILE HD1% A 4 ILE HA 1.0 . 3.50 35 31 A 6 ASP H A 4 ILE HA 1.0 . 5.10 36 32 A 4 ILE HA A 7 ALA H 1.0 . 3.96 37 33 A 4 ILE HA A 7 ALA HB% 1.0 . 3.78 38 34 A 4 ILE HA A 8 PHE H 1.0 . 5.00 39 35 A 4 ILE HB A 4 ILE HG1x 1.0 . 3.01 40 36 A 4 ILE HB A 4 ILE HD1% 1.0 . 3.41 41 37 A 4 ILE HB A 5 ASP H 1.0 . 3.85 42 38 A 4 ILE HG2% A 4 ILE HG1x 1.0 . 3.76 43 39 A 4 ILE HG2% A 4 ILE HG1y 1.0 . 3.95 44 40 A 4 ILE HG2% A 4 ILE HD1% 1.0 . 2.97 45 41 A 4 ILE HG2% A 5 ASP H 1.0 . 3.63 46 42 A 4 ILE HG2% A 5 ASP HA 1.0 . 4.16 47 43 A 4 ILE HG2% A 7 ALA H 1.0 . 4.63 48 44 A 4 ILE HG2% A 7 ALA HB% 1.0 . 4.06 49 45 A 4 ILE HG2% A 8 PHE H 1.0 . 4.52 50 46 A 5 ASP H A 4 ILE HG1x 1.0 . 5.37 51 47 A 5 ASP H A 4 ILE HD1% 1.0 . 6.00 52 48 A 4 ILE HD1% A 7 ALA H 1.0 . 4.74 53 49 A 4 ILE HD1% A 7 ALA HB% 1.0 . 4.17 54 50 A 5 ASP H A 5 ASP HBx 1.0 . 3.44 55 50 A 5 ASP H A 5 ASP HBy 1.0 . 3.44 56 51 A 8 PHE H A 5 ASP HA 1.0 . 3.50 57 52 A 8 PHE H A 5 ASP HA 1.0 . 3.43 58 53 A 5 ASP HA A 8 PHE HBx 1.0 . 3.53 59 54 A 5 ASP HA A 8 PHE HBy 1.0 . 5.17 60 55 A 5 ASP HA A 8 PHE HE% 1.0 . 3.79 61 56 A 5 ASP HA A 9 ARG H 1.0 . 5.00 62 57 A 5 ASP HA A 9 ARG H 1.0 . 4.77 63 58 A 8 PHE H A 5 ASP HBx 1.0 . 5.25 64 58 A 8 PHE H A 5 ASP HBy 1.0 . 5.25 65 59 A 6 ASP H A 6 ASP HBx 1.0 . 3.36 66 60 A 6 ASP H A 6 ASP HBy 1.0 . 3.36 67 61 A 6 ASP H A 7 ALA H 1.0 . 3.33 68 62 A 6 ASP H A 7 ALA HA 1.0 . 5.50 69 63 A 6 ASP H A 7 ALA HB% 1.0 . 4.49 70 64 A 6 ASP H A 8 PHE H 1.0 . 4.82 71 65 A 6 ASP H A 9 ARG HDx 1.0 . 5.17 72 65 A 6 ASP H A 9 ARG HDy 1.0 . 5.17 73 66 A 6 ASP HA A 8 PHE H 1.0 . 5.00 74 67 A 6 ASP HA A 8 PHE H 1.0 . 5.05 75 68 A 6 ASP HA A 9 ARG H 1.0 . 4.00 76 69 A 6 ASP HA A 9 ARG H 1.0 . 4.19 77 70 A 6 ASP HA A 9 ARG HBx 1.0 . 3.71 78 70 A 6 ASP HA A 9 ARG HBy 1.0 . 3.71 79 71 A 6 ASP HA A 9 ARG HGy 1.0 . 3.84 80 71 A 6 ASP HA A 9 ARG HGx 1.0 . 3.84 81 72 A 6 ASP HA A 9 ARG HDx 1.0 . 3.61 82 72 A 6 ASP HA A 9 ARG HDy 1.0 . 3.61 83 73 A 6 ASP HBx A 7 ALA H 1.0 . 4.80 84 74 A 7 ALA H A 6 ASP HBy 1.0 . 4.80 85 75 A 7 ALA H A 6 ASP HBy 1.0 . 4.15 86 75 A 6 ASP HBx A 7 ALA H 1.0 . 4.15 87 76 A 7 ALA HA A 6 ASP HBy 1.0 . 4.67 88 76 A 6 ASP HBx A 7 ALA HA 1.0 . 4.67 89 77 A 7 ALA H A 7 ALA HB% 1.0 . 3.12 90 78 A 7 ALA H A 8 PHE H 1.0 . 3.50 91 79 A 7 ALA H A 8 PHE HBx 1.0 . 5.18 92 80 A 7 ALA H A 9 ARG H 1.0 . 4.71 93 81 A 8 PHE H A 7 ALA HA 1.0 . 4.50 94 82 A 9 ARG H A 7 ALA HA 1.0 . 4.50 95 83 A 7 ALA HA A 11 ILE H 1.0 . 4.50 96 84 A 7 ALA HB% A 8 PHE H 1.0 . 3.46 97 85 A 7 ALA HB% A 10 ALA HB% 1.0 . 4.51 98 86 A 7 ALA HB% A 11 ILE H 1.0 . 4.99 99 87 A 7 ALA HB% A 11 ILE HD1% 1.0 . 4.33 100 88 A 7 ALA HB% A 61 LEU HDy% 1.0 . 6.00 101 88 A 7 ALA HB% A 61 LEU HDx% 1.0 . 6.00 102 89 A 8 PHE H A 8 PHE HBx 1.0 . 3.40 103 90 A 8 PHE H A 8 PHE HBy 1.0 . 3.60 104 91 A 8 PHE H A 8 PHE HE% 1.0 . 4.37 105 92 A 8 PHE H A 9 ARG H 1.0 . 3.50 106 93 A 8 PHE H A 9 ARG H 1.0 . 3.48 107 94 A 8 PHE H A 9 ARG HBx 1.0 . 5.34 108 94 A 8 PHE H A 9 ARG HBy 1.0 . 5.34 109 95 A 8 PHE H A 10 ALA H 1.0 . 4.66 110 96 A 8 PHE HE% A 8 PHE HA 1.0 . 4.49 111 97 A 9 ARG H A 8 PHE HA 1.0 . 4.50 112 98 A 11 ILE H A 8 PHE HA 1.0 . 4.50 113 99 A 11 ILE H A 8 PHE HA 1.0 . 4.30 114 100 A 8 PHE HA A 11 ILE HB 1.0 . 3.96 115 101 A 8 PHE HA A 11 ILE HG2% 1.0 . 4.05 116 102 A 11 ILE HD1% A 8 PHE HA 1.0 . 4.25 117 103 A 8 PHE HBx A 9 ARG H 1.0 . 3.55 118 104 A 8 PHE HBx A 10 ALA H 1.0 . 5.48 119 105 A 8 PHE HBx A 11 ILE HB 1.0 . 5.50 120 106 A 8 PHE HBy A 9 ARG H 1.0 . 4.02 121 107 A 8 PHE HBy A 9 ARG HA 1.0 . 5.20 122 108 A 8 PHE HBy A 11 ILE HB 1.0 . 5.02 123 109 A 8 PHE HD% A 61 LEU HDy% 1.0 . 6.00 124 109 A 61 LEU HDx% A 8 PHE HD% 1.0 . 6.00 125 110 A 8 PHE HE% A 60 VAL HGy% 1.0 . 6.00 126 110 A 8 PHE HE% A 60 VAL HGx% 1.0 . 6.00 127 111 A 9 ARG H A 9 ARG HBx 1.0 . 3.26 128 111 A 9 ARG H A 9 ARG HBy 1.0 . 3.26 129 112 A 9 ARG H A 9 ARG HGx 1.0 . 3.86 130 113 A 9 ARG H A 9 ARG HGy 1.0 . 3.86 131 114 A 9 ARG H A 9 ARG HGy 1.0 . 3.16 132 114 A 9 ARG H A 9 ARG HGx 1.0 . 3.16 133 115 A 9 ARG H A 9 ARG HDx 1.0 . 4.71 134 115 A 9 ARG H A 9 ARG HDy 1.0 . 4.71 135 116 A 9 ARG H A 10 ALA H 1.0 . 3.39 136 117 A 9 ARG H A 10 ALA H 1.0 . 3.50 137 118 A 9 ARG H A 10 ALA H 1.0 . 3.50 138 119 A 9 ARG H A 10 ALA HB% 1.0 . 4.48 139 120 A 9 ARG HA A 9 ARG HGy 1.0 . 3.33 140 120 A 9 ARG HGx A 9 ARG HA 1.0 . 3.33 141 121 A 9 ARG HA A 9 ARG HDx 1.0 . 5.28 142 121 A 9 ARG HDy A 9 ARG HA 1.0 . 5.28 143 122 A 10 ALA H A 9 ARG HA 1.0 . 4.50 144 123 A 11 ILE H A 9 ARG HA 1.0 . 4.50 145 124 A 11 ILE H A 9 ARG HA 1.0 . 4.68 146 125 A 9 ARG HA A 12 GLU H 1.0 . 4.95 147 126 A 9 ARG HBy A 10 ALA H 1.0 . 3.97 148 127 A 10 ALA H A 9 ARG HBx 1.0 . 3.97 149 128 A 9 ARG HBy A 9 ARG HDx 1.0 . 3.05 150 128 A 9 ARG HBx A 9 ARG HDx 1.0 . 3.05 151 128 A 9 ARG HDy A 9 ARG HBx 1.0 . 3.05 152 128 A 9 ARG HDy A 9 ARG HBy 1.0 . 3.05 153 129 A 10 ALA H A 9 ARG HBx 1.0 . 3.32 154 129 A 9 ARG HBy A 10 ALA H 1.0 . 3.32 155 130 A 11 ILE H A 9 ARG HBx 1.0 . 5.34 156 130 A 9 ARG HBy A 11 ILE H 1.0 . 5.34 157 131 A 10 ALA H A 9 ARG HGy 1.0 . 5.08 158 131 A 9 ARG HGx A 10 ALA H 1.0 . 5.08 159 132 A 10 ALA HB% A 10 ALA H 1.0 . 2.91 160 133 A 11 ILE H A 10 ALA H 1.0 . 3.50 161 134 A 11 ILE H A 10 ALA H 1.0 . 3.49 162 135 A 12 GLU H A 10 ALA HA 1.0 . 4.54 163 136 A 10 ALA HA A 13 ARG H 1.0 . 3.96 164 137 A 10 ALA HA A 13 ARG HBy 1.0 . 4.11 165 138 A 10 ALA HA A 13 ARG HDx 1.0 . 4.36 166 138 A 10 ALA HA A 13 ARG HDy 1.0 . 4.36 167 139 A 11 ILE H A 10 ALA HB% 1.0 . 3.52 168 140 A 10 ALA HB% A 13 ARG H 1.0 . 4.94 169 141 A 10 ALA HB% A 27 LEU HDy% 1.0 . 6.00 170 141 A 10 ALA HB% A 27 LEU HDx% 1.0 . 6.00 171 142 A 11 ILE H A 11 ILE HB 1.0 . 3.37 172 143 A 11 ILE H A 11 ILE HG2% 1.0 . 4.08 173 144 A 11 ILE H A 11 ILE HG1x 1.0 . 4.67 174 144 A 11 ILE H A 11 ILE HG1y 1.0 . 4.67 175 145 A 11 ILE H A 11 ILE HD1% 1.0 . 4.07 176 146 A 11 ILE HG2% A 11 ILE HA 1.0 . 3.46 177 147 A 11 ILE HA A 11 ILE HG1x 1.0 . 3.71 178 147 A 11 ILE HG1y A 11 ILE HA 1.0 . 3.71 179 148 A 11 ILE HD1% A 11 ILE HA 1.0 . 4.57 180 149 A 11 ILE HA A 14 ALA H 1.0 . 4.09 181 150 A 11 ILE HA A 14 ALA HB% 1.0 . 3.42 182 151 A 11 ILE HD1% A 11 ILE HB 1.0 . 3.83 183 152 A 11 ILE HG2% A 12 GLU H 1.0 . 3.91 184 153 A 11 ILE HG2% A 12 GLU HA 1.0 . 3.73 185 154 A 11 ILE HG2% A 14 ALA H 1.0 . 4.62 186 155 A 11 ILE HG2% A 14 ALA HB% 1.0 . 4.36 187 156 A 11 ILE HG2% A 15 ILE H 1.0 . 4.63 188 157 A 64 ALA HB% A 11 ILE HG1x 1.0 . 4.23 189 157 A 11 ILE HG1y A 64 ALA HB% 1.0 . 4.23 190 158 A 11 ILE HD1% A 27 LEU HDy% 1.0 . 6.00 191 158 A 11 ILE HD1% A 27 LEU HDx% 1.0 . 6.00 192 159 A 11 ILE HD1% A 30 PHE HBy 1.0 . 4.66 193 159 A 11 ILE HD1% A 30 PHE HBx 1.0 . 4.66 194 160 A 11 ILE HD1% A 64 ALA H 1.0 . 5.39 195 161 A 11 ILE HD1% A 64 ALA HA 1.0 . 4.37 196 162 A 11 ILE HD1% A 64 ALA HB% 1.0 . 6.00 197 163 A 11 ILE HD1% A 64 ALA HB% 1.0 . 3.22 198 164 A 11 ILE HD1% A 65 GLU H 1.0 . 5.44 199 165 A 11 ILE HD1% A 65 GLU HA 1.0 . 5.38 200 166 A 11 ILE HD1% A 68 ALA HB% 1.0 . 6.00 201 167 A 12 GLU H A 12 GLU HBy 1.0 . 3.80 202 168 A 12 GLU H A 12 GLU HBx 1.0 . 3.80 203 169 A 12 GLU H A 12 GLU HBy 1.0 . 3.17 204 169 A 12 GLU H A 12 GLU HBx 1.0 . 3.17 205 170 A 12 GLU H A 12 GLU HGy 1.0 . 4.48 206 170 A 12 GLU H A 12 GLU HGx 1.0 . 4.48 207 171 A 12 GLU H A 13 ARG H 1.0 . 3.47 208 172 A 12 GLU H A 13 ARG HBy 1.0 . 5.50 209 173 A 12 GLU H A 15 ILE HG2% 1.0 . 4.43 210 174 A 12 GLU HA A 12 GLU HGy 1.0 . 3.59 211 174 A 12 GLU HA A 12 GLU HGx 1.0 . 3.59 212 175 A 14 ALA H A 12 GLU HA 1.0 . 4.56 213 176 A 12 GLU HA A 15 ILE HB 1.0 . 4.69 214 177 A 12 GLU HA A 15 ILE HG2% 1.0 . 4.04 215 178 A 12 GLU HA A 16 GLN H 1.0 . 4.49 216 179 A 12 GLU HA A 67 LEU HDy% 1.0 . 4.87 217 179 A 12 GLU HA A 67 LEU HDx% 1.0 . 4.87 218 180 A 13 ARG H A 12 GLU HBy 1.0 . 3.80 219 180 A 13 ARG H A 12 GLU HBx 1.0 . 3.80 220 181 A 12 GLU HGx A 15 ILE HG2% 1.0 . 4.33 221 182 A 15 ILE HG2% A 12 GLU HGy 1.0 . 4.33 222 183 A 13 ARG H A 12 GLU HGy 1.0 . 4.44 223 183 A 13 ARG H A 12 GLU HGx 1.0 . 4.44 224 184 A 15 ILE HG2% A 12 GLU HGy 1.0 . 3.79 225 184 A 12 GLU HGx A 15 ILE HG2% 1.0 . 3.79 226 185 A 13 ARG H A 13 ARG HBy 1.0 . 3.09 227 186 A 13 ARG H A 13 ARG HBx 1.0 . 3.14 228 187 A 13 ARG H A 13 ARG HGy 1.0 . 5.34 229 187 A 13 ARG H A 13 ARG HGx 1.0 . 5.34 230 188 A 13 ARG H A 13 ARG HDx 1.0 . 3.69 231 188 A 13 ARG H A 13 ARG HDy 1.0 . 3.69 232 189 A 13 ARG H A 14 ALA H 1.0 . 3.43 233 190 A 13 ARG H A 14 ALA HB% 1.0 . 5.50 234 191 A 13 ARG H A 15 ILE H 1.0 . 4.66 235 192 A 13 ARG H A 15 ILE HG2% 1.0 . 4.37 236 193 A 13 ARG HA A 13 ARG HDx 1.0 . 3.64 237 193 A 13 ARG HDy A 13 ARG HA 1.0 . 3.64 238 194 A 15 ILE H A 13 ARG HA 1.0 . 4.84 239 195 A 16 GLN H A 13 ARG HA 1.0 . 4.65 240 196 A 13 ARG HA A 16 GLN HBx 1.0 . 3.25 241 196 A 13 ARG HA A 16 GLN HBy 1.0 . 3.25 242 197 A 13 ARG HA A 16 GLN HGy 1.0 . 4.14 243 197 A 13 ARG HA A 16 GLN HGx 1.0 . 4.14 244 198 A 13 ARG HBy A 13 ARG HDx 1.0 . 3.31 245 198 A 13 ARG HBy A 13 ARG HDy 1.0 . 3.31 246 199 A 13 ARG HBy A 14 ALA H 1.0 . 3.72 247 200 A 14 ALA H A 13 ARG HBx 1.0 . 3.42 248 201 A 13 ARG HBx A 14 ALA HA 1.0 . 3.99 249 202 A 14 ALA HB% A 13 ARG HBx 1.0 . 4.28 250 203 A 14 ALA H A 14 ALA HB% 1.0 . 2.92 251 204 A 14 ALA H A 15 ILE H 1.0 . 3.42 252 205 A 14 ALA H A 15 ILE HG2% 1.0 . 3.87 253 206 A 14 ALA HA A 17 ALA H 1.0 . 4.38 254 207 A 14 ALA HA A 17 ALA HB% 1.0 . 3.39 255 208 A 14 ALA HB% A 15 ILE H 1.0 . 3.74 256 209 A 14 ALA HB% A 15 ILE HA 1.0 . 4.56 257 210 A 14 ALA HB% A 15 ILE HB 1.0 . 4.35 258 211 A 14 ALA HB% A 15 ILE HG2% 1.0 . 3.86 259 212 A 14 ALA HB% A 17 ALA H 1.0 . 4.80 260 213 A 14 ALA HB% A 17 ALA HB% 1.0 . 4.81 261 214 A 14 ALA HB% A 67 LEU HDy% 1.0 . 6.00 262 214 A 14 ALA HB% A 67 LEU HDx% 1.0 . 6.00 263 215 A 15 ILE H A 15 ILE HB 1.0 . 3.56 264 216 A 15 ILE H A 15 ILE HG2% 1.0 . 3.86 265 217 A 15 ILE H A 15 ILE HG1x 1.0 . 4.24 266 217 A 15 ILE H A 15 ILE HG1y 1.0 . 4.24 267 218 A 15 ILE H A 15 ILE HD1% 1.0 . 4.36 268 219 A 15 ILE H A 16 GLN H 1.0 . 3.94 269 220 A 15 ILE H A 67 LEU HDy% 1.0 . 5.23 270 220 A 15 ILE H A 67 LEU HDx% 1.0 . 5.23 271 221 A 15 ILE H A 68 ALA HA 1.0 . 5.24 272 222 A 15 ILE H A 68 ALA HB% 1.0 . 5.04 273 223 A 15 ILE HG2% A 15 ILE HA 1.0 . 3.65 274 224 A 15 ILE HA A 15 ILE HG1y 1.0 . 4.24 275 225 A 15 ILE HA A 15 ILE HG1x 1.0 . 4.24 276 226 A 15 ILE HA A 15 ILE HG1x 1.0 . 3.67 277 226 A 15 ILE HA A 15 ILE HG1y 1.0 . 3.67 278 227 A 15 ILE HA A 15 ILE HD1% 1.0 . 4.28 279 228 A 15 ILE HA A 16 GLN HBx 1.0 . 5.40 280 228 A 16 GLN HBy A 15 ILE HA 1.0 . 5.40 281 229 A 15 ILE HA A 18 GLU H 1.0 . 4.72 282 230 A 15 ILE HB A 15 ILE HD1% 1.0 . 3.37 283 231 A 15 ILE HB A 16 GLN H 1.0 . 4.14 284 232 A 15 ILE HB A 67 LEU HG 1.0 . 4.80 285 233 A 15 ILE HB A 67 LEU HDy% 1.0 . 3.96 286 233 A 15 ILE HB A 67 LEU HDx% 1.0 . 3.96 287 234 A 15 ILE HB A 68 ALA HA 1.0 . 4.29 288 235 A 15 ILE HG2% A 15 ILE HG1x 1.0 . 3.19 289 235 A 15 ILE HG2% A 15 ILE HG1y 1.0 . 3.19 290 236 A 15 ILE HG2% A 15 ILE HD1% 1.0 . 3.02 291 237 A 15 ILE HG2% A 16 GLN H 1.0 . 4.02 292 238 A 15 ILE HG2% A 16 GLN HA 1.0 . 3.28 293 239 A 15 ILE HG2% A 16 GLN HBx 1.0 . 3.99 294 239 A 15 ILE HG2% A 16 GLN HBy 1.0 . 3.99 295 240 A 15 ILE HG2% A 16 GLN HGx 1.0 . 4.18 296 241 A 15 ILE HG2% A 16 GLN HGy 1.0 . 4.18 297 242 A 15 ILE HG2% A 16 GLN HGy 1.0 . 3.66 298 242 A 15 ILE HG2% A 16 GLN HGx 1.0 . 3.66 299 243 A 15 ILE HG2% A 17 ALA H 1.0 . 4.23 300 244 A 15 ILE HG2% A 18 GLU H 1.0 . 5.50 301 245 A 15 ILE HG2% A 67 LEU HDy% 1.0 . 6.00 302 245 A 15 ILE HG2% A 67 LEU HDx% 1.0 . 6.00 303 246 A 68 ALA HB% A 15 ILE HG2% 1.0 . 6.00 304 247 A 15 ILE HG2% A 71 ILE HG2% 1.0 . 6.00 305 248 A 16 GLN H A 15 ILE HG1x 1.0 . 4.34 306 248 A 16 GLN H A 15 ILE HG1y 1.0 . 4.34 307 249 A 17 ALA H A 15 ILE HG1x 1.0 . 4.74 308 249 A 17 ALA H A 15 ILE HG1y 1.0 . 4.74 309 250 A 15 ILE HG1x A 67 LEU HDy% 1.0 . 4.14 310 250 A 15 ILE HG1y A 67 LEU HDy% 1.0 . 4.14 311 250 A 67 LEU HDx% A 15 ILE HG1x 1.0 . 4.14 312 250 A 67 LEU HDx% A 15 ILE HG1y 1.0 . 4.14 313 251 A 16 GLN H A 15 ILE HD1% 1.0 . 5.16 314 252 A 15 ILE HD1% A 67 LEU HG 1.0 . 4.09 315 253 A 15 ILE HD1% A 67 LEU HDy% 1.0 . 6.00 316 253 A 67 LEU HDx% A 15 ILE HD1% 1.0 . 6.00 317 254 A 15 ILE HD1% A 68 ALA HA 1.0 . 4.31 318 255 A 68 ALA HB% A 15 ILE HD1% 1.0 . 6.00 319 256 A 15 ILE HD1% A 71 ILE HD1% 1.0 . 6.00 320 257 A 16 GLN H A 16 GLN HBx 1.0 . 3.39 321 257 A 16 GLN H A 16 GLN HBy 1.0 . 3.39 322 258 A 16 GLN H A 16 GLN HGx 1.0 . 3.90 323 259 A 16 GLN H A 16 GLN HGy 1.0 . 3.90 324 260 A 16 GLN H A 17 ALA H 1.0 . 3.54 325 261 A 16 GLN H A 17 ALA HB% 1.0 . 4.35 326 262 A 16 GLN H A 18 GLU HGx 1.0 . 5.43 327 262 A 16 GLN H A 18 GLU HGy 1.0 . 5.43 328 263 A 16 GLN HA A 16 GLN HGy 1.0 . 3.21 329 263 A 16 GLN HGx A 16 GLN HA 1.0 . 3.21 330 264 A 17 ALA H A 16 GLN HBx 1.0 . 3.76 331 264 A 16 GLN HBy A 17 ALA H 1.0 . 3.76 332 265 A 17 ALA HA A 16 GLN HBx 1.0 . 4.61 333 265 A 16 GLN HBy A 17 ALA HA 1.0 . 4.61 334 266 A 17 ALA HB% A 16 GLN HBx 1.0 . 4.33 335 266 A 16 GLN HBy A 17 ALA HB% 1.0 . 4.33 336 267 A 17 ALA H A 16 GLN HGy 1.0 . 4.89 337 267 A 16 GLN HGx A 17 ALA H 1.0 . 4.89 338 268 A 17 ALA H A 17 ALA HB% 1.0 . 3.14 339 269 A 17 ALA H A 18 GLU H 1.0 . 3.72 340 270 A 17 ALA HA A 18 GLU HBy 1.0 . 4.59 341 271 A 17 ALA HB% A 18 GLU H 1.0 . 3.69 342 272 A 17 ALA HB% A 18 GLU HGx 1.0 . 4.74 343 272 A 17 ALA HB% A 18 GLU HGy 1.0 . 4.74 344 273 A 17 ALA HB% A 19 ASN H 1.0 . 4.41 345 274 A 17 ALA HB% A 67 LEU HDy% 1.0 . 6.00 346 274 A 67 LEU HDx% A 17 ALA HB% 1.0 . 6.00 347 275 A 17 ALA HB% A 71 ILE HG2% 1.0 . 4.45 348 276 A 17 ALA HB% A 72 LEU HDy% 1.0 . 6.00 349 276 A 17 ALA HB% A 72 LEU HDx% 1.0 . 6.00 350 277 A 18 GLU H A 18 GLU HBy 1.0 . 3.71 351 278 A 18 GLU H A 18 GLU HBx 1.0 . 4.13 352 279 A 18 GLU H A 18 GLU HGx 1.0 . 4.16 353 279 A 18 GLU H A 18 GLU HGy 1.0 . 4.16 354 280 A 18 GLU H A 19 ASN H 1.0 . 4.49 355 281 A 18 GLU H A 71 ILE HG2% 1.0 . 4.56 356 282 A 18 GLU H A 71 ILE HG1x 1.0 . 5.50 357 283 A 18 GLU HA A 18 GLU HGx 1.0 . 3.67 358 283 A 18 GLU HGy A 18 GLU HA 1.0 . 3.67 359 284 A 19 ASN H A 18 GLU HA 1.0 . 3.03 360 285 A 18 GLU HA A 19 ASN HA 1.0 . 4.77 361 286 A 18 GLU HA A 19 ASN HBx 1.0 . 5.50 362 287 A 18 GLU HA A 19 ASN HBy 1.0 . 5.50 363 288 A 18 GLU HA A 19 ASN HBy 1.0 . 4.72 364 288 A 18 GLU HA A 19 ASN HBx 1.0 . 4.72 365 289 A 71 ILE HG2% A 18 GLU HA 1.0 . 4.88 366 290 A 18 GLU HBy A 18 GLU HGx 1.0 . 2.89 367 290 A 18 GLU HGy A 18 GLU HBy 1.0 . 2.89 368 291 A 18 GLU HBy A 19 ASN H 1.0 . 4.38 369 292 A 18 GLU HBx A 18 GLU HGx 1.0 . 2.96 370 292 A 18 GLU HGy A 18 GLU HBx 1.0 . 2.96 371 293 A 19 ASN H A 18 GLU HBx 1.0 . 4.55 372 294 A 71 ILE HG2% A 18 GLU HBx 1.0 . 4.71 373 295 A 19 ASN H A 18 GLU HGx 1.0 . 5.07 374 295 A 18 GLU HGy A 19 ASN H 1.0 . 5.07 375 296 A 71 ILE HG2% A 18 GLU HGx 1.0 . 4.21 376 296 A 71 ILE HG2% A 18 GLU HGy 1.0 . 4.21 377 297 A 19 ASN H A 19 ASN HBx 1.0 . 3.87 378 298 A 19 ASN H A 19 ASN HBy 1.0 . 3.87 379 299 A 19 ASN H A 19 ASN HBy 1.0 . 3.25 380 299 A 19 ASN H A 19 ASN HBx 1.0 . 3.25 381 300 A 19 ASN H A 20 GLU HGx 1.0 . 5.50 382 300 A 19 ASN H A 20 GLU HGy 1.0 . 5.50 383 301 A 19 ASN H A 71 ILE HB 1.0 . 4.17 384 302 A 71 ILE HG2% A 19 ASN H 1.0 . 4.11 385 303 A 71 ILE HD1% A 19 ASN H 1.0 . 4.63 386 304 A 19 ASN HA A 20 GLU HGx 1.0 . 4.65 387 304 A 19 ASN HA A 20 GLU HGy 1.0 . 4.65 388 305 A 20 GLU HA A 19 ASN HBy 1.0 . 5.34 389 305 A 19 ASN HBx A 20 GLU HA 1.0 . 5.34 390 306 A 20 GLU H A 19 ASN HD2x 1.0 . 4.79 391 306 A 19 ASN HD2y A 20 GLU H 1.0 . 4.79 392 307 A 20 GLU H A 20 GLU HGx 1.0 . 3.72 393 307 A 20 GLU HGy A 20 GLU H 1.0 . 3.72 394 308 A 20 GLU H A 21 GLY HAx 1.0 . 5.24 395 309 A 20 GLU H A 21 GLY HAy 1.0 . 5.24 396 310 A 20 GLU H A 21 GLY HAx 1.0 . 4.58 397 310 A 20 GLU H A 21 GLY HAy 1.0 . 4.58 398 311 A 20 GLU HA A 20 GLU HGx 1.0 . 3.62 399 311 A 20 GLU HGy A 20 GLU HA 1.0 . 3.62 400 312 A 21 GLY H A 20 GLU HBx 1.0 . 4.37 401 312 A 20 GLU HBy A 21 GLY H 1.0 . 4.37 402 313 A 21 GLY H A 20 GLU HGx 1.0 . 4.48 403 313 A 20 GLU HGy A 21 GLY H 1.0 . 4.48 404 314 A 22 ARG HA A 22 ARG HGx 1.0 . 3.57 405 314 A 22 ARG HA A 22 ARG HGy 1.0 . 3.57 406 315 A 22 ARG HA A 24 ARG H 1.0 . 4.66 407 316 A 22 ARG HA A 25 GLU H 1.0 . 4.50 408 317 A 22 ARG HA A 25 GLU H 1.0 . 4.40 409 318 A 22 ARG HA A 25 GLU HBy 1.0 . 3.89 410 318 A 22 ARG HA A 25 GLU HBx 1.0 . 3.89 411 319 A 22 ARG HA A 25 GLU HGx 1.0 . 4.03 412 319 A 22 ARG HA A 25 GLU HGy 1.0 . 4.03 413 320 A 22 ARG HA A 26 ALA H 1.0 . 4.50 414 321 A 22 ARG HA A 26 ALA H 1.0 . 4.62 415 322 A 22 ARG HBy A 22 ARG HDx 1.0 . 3.35 416 322 A 22 ARG HDy A 22 ARG HBx 1.0 . 3.35 417 322 A 22 ARG HBy A 22 ARG HDy 1.0 . 3.35 418 322 A 22 ARG HBx A 22 ARG HDx 1.0 . 3.35 419 323 A 23 TYR H A 22 ARG HBx 1.0 . 3.71 420 323 A 22 ARG HBy A 23 TYR H 1.0 . 3.71 421 324 A 22 ARG HE A 22 ARG HGx 1.0 . 3.33 422 324 A 22 ARG HGy A 22 ARG HE 1.0 . 3.33 423 325 A 23 TYR H A 22 ARG HDx 1.0 . 4.63 424 325 A 22 ARG HDy A 23 TYR H 1.0 . 4.63 425 326 A 23 TYR H A 23 TYR HBx 1.0 . 4.02 426 327 A 23 TYR H A 23 TYR HBy 1.0 . 4.02 427 328 A 23 TYR H A 23 TYR HBx 1.0 . 3.45 428 328 A 23 TYR H A 23 TYR HBy 1.0 . 3.45 429 329 A 23 TYR H A 23 TYR HD% 1.0 . 3.81 430 330 A 23 TYR H A 23 TYR HE% 1.0 . 5.06 431 331 A 24 ARG H A 23 TYR H 1.0 . 3.46 432 332 A 23 TYR H A 24 ARG HA 1.0 . 5.50 433 333 A 71 ILE HD1% A 23 TYR H 1.0 . 4.68 434 334 A 23 TYR HD% A 23 TYR HA 1.0 . 3.78 435 335 A 26 ALA H A 23 TYR HA 1.0 . 3.50 436 336 A 26 ALA H A 23 TYR HA 1.0 . 4.13 437 337 A 23 TYR HA A 26 ALA HB% 1.0 . 3.72 438 338 A 23 TYR HA A 27 LEU H 1.0 . 4.50 439 339 A 23 TYR HA A 27 LEU H 1.0 . 4.75 440 340 A 71 ILE HD1% A 23 TYR HA 1.0 . 4.66 441 341 A 71 ILE HD1% A 23 TYR HBx 1.0 . 4.18 442 342 A 71 ILE HD1% A 23 TYR HBy 1.0 . 4.18 443 343 A 24 ARG H A 23 TYR HBx 1.0 . 4.02 444 343 A 24 ARG H A 23 TYR HBy 1.0 . 4.02 445 344 A 25 GLU H A 23 TYR HBx 1.0 . 5.34 446 344 A 25 GLU H A 23 TYR HBy 1.0 . 5.34 447 345 A 26 ALA H A 23 TYR HBx 1.0 . 5.34 448 345 A 26 ALA H A 23 TYR HBy 1.0 . 5.34 449 346 A 71 ILE HG2% A 23 TYR HBx 1.0 . 6.00 450 346 A 71 ILE HG2% A 23 TYR HBy 1.0 . 6.00 451 347 A 71 ILE HG2% A 23 TYR HBx 1.0 . 4.22 452 347 A 71 ILE HG2% A 23 TYR HBy 1.0 . 4.22 453 348 A 71 ILE HG1x A 23 TYR HBx 1.0 . 5.03 454 348 A 71 ILE HG1x A 23 TYR HBy 1.0 . 5.03 455 349 A 71 ILE HD1% A 23 TYR HBx 1.0 . 6.00 456 349 A 71 ILE HD1% A 23 TYR HBy 1.0 . 6.00 457 350 A 71 ILE HD1% A 23 TYR HBx 1.0 . 3.60 458 350 A 71 ILE HD1% A 23 TYR HBy 1.0 . 3.60 459 351 A 23 TYR HD% A 26 ALA HB% 1.0 . 5.15 460 352 A 71 ILE HG2% A 23 TYR HD% 1.0 . 4.89 461 353 A 71 ILE HD1% A 23 TYR HD% 1.0 . 3.92 462 354 A 71 ILE HG2% A 23 TYR HE% 1.0 . 6.00 463 355 A 71 ILE HD1% A 23 TYR HE% 1.0 . 4.41 464 356 A 71 ILE HD1% A 23 TYR HE% 1.0 . 6.00 465 357 A 24 ARG H A 24 ARG HBy 1.0 . 3.65 466 358 A 24 ARG H A 24 ARG HBx 1.0 . 3.65 467 359 A 24 ARG H A 24 ARG HGx 1.0 . 4.21 468 359 A 24 ARG H A 24 ARG HGy 1.0 . 4.21 469 360 A 24 ARG H A 24 ARG HDx 1.0 . 4.43 470 360 A 24 ARG H A 24 ARG HDy 1.0 . 4.43 471 361 A 24 ARG H A 25 GLU HA 1.0 . 5.50 472 362 A 24 ARG HA A 24 ARG HGx 1.0 . 3.94 473 362 A 24 ARG HA A 24 ARG HGy 1.0 . 3.94 474 363 A 24 ARG HA A 24 ARG HDx 1.0 . 4.64 475 363 A 24 ARG HA A 24 ARG HDy 1.0 . 4.64 476 364 A 25 GLU H A 24 ARG HA 1.0 . 4.50 477 365 A 24 ARG HA A 27 LEU H 1.0 . 4.58 478 366 A 24 ARG HA A 27 LEU HBy 1.0 . 3.99 479 367 A 24 ARG HA A 27 LEU HBx 1.0 . 5.43 480 368 A 25 GLU H A 24 ARG HGx 1.0 . 4.29 481 368 A 25 GLU H A 24 ARG HGy 1.0 . 4.29 482 369 A 25 GLU HA A 24 ARG HGx 1.0 . 4.26 483 369 A 24 ARG HGy A 25 GLU HA 1.0 . 4.26 484 370 A 25 GLU H A 24 ARG HDx 1.0 . 3.95 485 370 A 25 GLU H A 24 ARG HDy 1.0 . 3.95 486 371 A 25 GLU HA A 24 ARG HDx 1.0 . 4.31 487 371 A 24 ARG HDy A 25 GLU HA 1.0 . 4.31 488 372 A 24 ARG HDx A 25 GLU HBy 1.0 . 4.33 489 372 A 24 ARG HDy A 25 GLU HBy 1.0 . 4.33 490 372 A 25 GLU HBx A 24 ARG HDx 1.0 . 4.33 491 372 A 25 GLU HBx A 24 ARG HDy 1.0 . 4.33 492 373 A 24 ARG HDx A 25 GLU HGx 1.0 . 4.84 493 373 A 24 ARG HDy A 25 GLU HGx 1.0 . 4.84 494 373 A 25 GLU HGy A 24 ARG HDx 1.0 . 4.84 495 373 A 25 GLU HGy A 24 ARG HDy 1.0 . 4.84 496 374 A 25 GLU HA A 24 ARG HE 1.0 . 4.48 497 375 A 24 ARG HE A 25 GLU HBy 1.0 . 5.12 498 376 A 25 GLU HBx A 24 ARG HE 1.0 . 5.12 499 377 A 24 ARG HE A 25 GLU HBy 1.0 . 4.51 500 377 A 25 GLU HBx A 24 ARG HE 1.0 . 4.51 501 378 A 25 GLU H A 25 GLU HBy 1.0 . 3.70 502 379 A 25 GLU H A 25 GLU HBx 1.0 . 3.70 503 380 A 25 GLU H A 25 GLU HBy 1.0 . 3.21 504 380 A 25 GLU H A 25 GLU HBx 1.0 . 3.21 505 381 A 25 GLU H A 25 GLU HGx 1.0 . 3.67 506 381 A 25 GLU H A 25 GLU HGy 1.0 . 3.67 507 382 A 25 GLU H A 26 ALA H 1.0 . 3.50 508 383 A 25 GLU H A 26 ALA H 1.0 . 3.55 509 384 A 25 GLU H A 26 ALA HB% 1.0 . 4.23 510 385 A 25 GLU H A 27 LEU H 1.0 . 4.51 511 386 A 25 GLU H A 27 LEU H 1.0 . 4.50 512 387 A 25 GLU H A 28 LYS H 1.0 . 5.41 513 388 A 26 ALA H A 25 GLU HA 1.0 . 4.50 514 389 A 25 GLU HA A 28 LYS H 1.0 . 4.50 515 390 A 25 GLU HA A 28 LYS H 1.0 . 3.89 516 391 A 25 GLU HA A 28 LYS HBx 1.0 . 4.11 517 391 A 25 GLU HA A 28 LYS HBy 1.0 . 4.11 518 392 A 25 GLU HA A 29 HIS H 1.0 . 5.50 519 393 A 26 ALA H A 25 GLU HBy 1.0 . 4.45 520 394 A 25 GLU HBx A 26 ALA H 1.0 . 4.45 521 395 A 26 ALA H A 25 GLU HBy 1.0 . 3.73 522 395 A 25 GLU HBx A 26 ALA H 1.0 . 3.73 523 396 A 26 ALA H A 25 GLU HGx 1.0 . 4.73 524 396 A 25 GLU HGy A 26 ALA H 1.0 . 4.73 525 397 A 26 ALA H A 26 ALA HB% 1.0 . 3.14 526 398 A 26 ALA H A 27 LEU H 1.0 . 3.58 527 399 A 26 ALA H A 27 LEU H 1.0 . 3.50 528 400 A 26 ALA H A 27 LEU HA 1.0 . 5.50 529 401 A 26 ALA H A 28 LYS H 1.0 . 4.50 530 402 A 28 LYS H A 26 ALA HA 1.0 . 4.50 531 403 A 29 HIS H A 26 ALA HA 1.0 . 4.31 532 404 A 29 HIS H A 26 ALA HA 1.0 . 4.50 533 405 A 26 ALA HA A 29 HIS HBy 1.0 . 4.24 534 405 A 26 ALA HA A 29 HIS HBx 1.0 . 4.24 535 406 A 26 ALA HB% A 27 LEU H 1.0 . 3.62 536 407 A 26 ALA HB% A 27 LEU HG 1.0 . 4.41 537 408 A 27 LEU H A 27 LEU HBy 1.0 . 4.01 538 409 A 27 LEU H A 27 LEU HBx 1.0 . 4.17 539 410 A 27 LEU H A 27 LEU HG 1.0 . 3.53 540 411 A 27 LEU HDx% A 27 LEU H 1.0 . 4.23 541 412 A 27 LEU H A 27 LEU HDy% 1.0 . 4.23 542 413 A 27 LEU H A 28 LYS HBx 1.0 . 4.53 543 413 A 27 LEU H A 28 LYS HBy 1.0 . 4.53 544 414 A 27 LEU HDx% A 27 LEU HA 1.0 . 4.06 545 415 A 27 LEU HA A 27 LEU HDy% 1.0 . 4.06 546 416 A 27 LEU HA A 27 LEU HDy% 1.0 . 3.13 547 416 A 27 LEU HDx% A 27 LEU HA 1.0 . 3.13 548 417 A 28 LYS H A 27 LEU HA 1.0 . 4.50 549 418 A 27 LEU HA A 30 PHE H 1.0 . 4.50 550 419 A 27 LEU HA A 30 PHE HBy 1.0 . 4.21 551 419 A 30 PHE HBx A 27 LEU HA 1.0 . 4.21 552 420 A 27 LEU HA A 31 LEU H 1.0 . 4.73 553 421 A 27 LEU HA A 31 LEU H 1.0 . 4.50 554 422 A 27 LEU HBy A 29 HIS H 1.0 . 5.44 555 423 A 27 LEU HBx A 28 LYS H 1.0 . 5.22 556 424 A 27 LEU HBx A 65 GLU HGx 1.0 . 5.20 557 425 A 27 LEU HBx A 65 GLU HGy 1.0 . 5.20 558 426 A 27 LEU HBx A 65 GLU HGy 1.0 . 4.32 559 426 A 27 LEU HBx A 65 GLU HGx 1.0 . 4.32 560 427 A 68 ALA HB% A 27 LEU HG 1.0 . 3.88 561 428 A 27 LEU HDx% A 68 ALA HA 1.0 . 4.74 562 429 A 27 LEU HDx% A 68 ALA HB% 1.0 . 3.20 563 430 A 27 LEU HDx% A 69 GLU H 1.0 . 5.23 564 431 A 68 ALA HA A 27 LEU HDy% 1.0 . 4.74 565 432 A 68 ALA HB% A 27 LEU HDy% 1.0 . 3.20 566 433 A 69 GLU H A 27 LEU HDy% 1.0 . 5.23 567 434 A 29 HIS H A 27 LEU HDy% 1.0 . 5.44 568 434 A 27 LEU HDx% A 29 HIS H 1.0 . 5.44 569 435 A 30 PHE H A 27 LEU HDy% 1.0 . 4.91 570 435 A 27 LEU HDx% A 30 PHE H 1.0 . 4.91 571 436 A 27 LEU HDy% A 30 PHE HBy 1.0 . 4.39 572 436 A 27 LEU HDx% A 30 PHE HBy 1.0 . 4.39 573 436 A 30 PHE HBx A 27 LEU HDy% 1.0 . 4.39 574 436 A 27 LEU HDx% A 30 PHE HBx 1.0 . 4.39 575 437 A 31 LEU H A 27 LEU HDy% 1.0 . 4.93 576 437 A 27 LEU HDx% A 31 LEU H 1.0 . 4.93 577 438 A 27 LEU HDx% A 60 VAL HGy% 1.0 . 6.00 578 438 A 27 LEU HDy% A 60 VAL HGy% 1.0 . 6.00 579 438 A 60 VAL HGx% A 27 LEU HDy% 1.0 . 6.00 580 438 A 60 VAL HGx% A 27 LEU HDx% 1.0 . 6.00 581 439 A 27 LEU HDy% A 61 LEU HDy% 1.0 . 6.00 582 439 A 61 LEU HDx% A 27 LEU HDy% 1.0 . 6.00 583 439 A 61 LEU HDx% A 27 LEU HDx% 1.0 . 6.00 584 439 A 27 LEU HDx% A 61 LEU HDy% 1.0 . 6.00 585 440 A 64 ALA H A 27 LEU HDy% 1.0 . 5.44 586 440 A 27 LEU HDx% A 64 ALA H 1.0 . 5.44 587 441 A 65 GLU H A 27 LEU HDy% 1.0 . 4.10 588 441 A 27 LEU HDx% A 65 GLU H 1.0 . 4.10 589 442 A 65 GLU HA A 27 LEU HDy% 1.0 . 3.99 590 442 A 27 LEU HDx% A 65 GLU HA 1.0 . 3.99 591 443 A 27 LEU HDx% A 65 GLU HGy 1.0 . 3.73 592 443 A 27 LEU HDy% A 65 GLU HGy 1.0 . 3.73 593 443 A 65 GLU HGx A 27 LEU HDy% 1.0 . 3.73 594 443 A 27 LEU HDx% A 65 GLU HGx 1.0 . 3.73 595 444 A 66 HIS H A 27 LEU HDy% 1.0 . 5.18 596 444 A 27 LEU HDx% A 66 HIS H 1.0 . 5.18 597 445 A 67 LEU H A 27 LEU HDy% 1.0 . 5.44 598 445 A 27 LEU HDx% A 67 LEU H 1.0 . 5.44 599 446 A 27 LEU HDy% A 67 LEU HBy 1.0 . 6.00 600 446 A 27 LEU HDx% A 67 LEU HBy 1.0 . 6.00 601 446 A 67 LEU HBx A 27 LEU HDy% 1.0 . 6.00 602 446 A 27 LEU HDx% A 67 LEU HBx 1.0 . 6.00 603 447 A 67 LEU HG A 27 LEU HDy% 1.0 . 6.00 604 447 A 27 LEU HDx% A 67 LEU HG 1.0 . 6.00 605 448 A 27 LEU HDx% A 67 LEU HDy% 1.0 . 6.00 606 448 A 27 LEU HDy% A 67 LEU HDy% 1.0 . 6.00 607 448 A 67 LEU HDx% A 27 LEU HDy% 1.0 . 6.00 608 448 A 27 LEU HDx% A 67 LEU HDx% 1.0 . 6.00 609 449 A 68 ALA H A 27 LEU HDy% 1.0 . 4.17 610 449 A 27 LEU HDx% A 68 ALA H 1.0 . 4.17 611 450 A 68 ALA HA A 27 LEU HDy% 1.0 . 4.04 612 450 A 27 LEU HDx% A 68 ALA HA 1.0 . 4.04 613 451 A 68 ALA HB% A 27 LEU HDy% 1.0 . 6.00 614 451 A 27 LEU HDx% A 68 ALA HB% 1.0 . 6.00 615 452 A 28 LYS H A 28 LYS HBy 1.0 . 3.42 616 453 A 28 LYS H A 28 LYS HBx 1.0 . 3.42 617 454 A 28 LYS H A 28 LYS HGx 1.0 . 3.90 618 454 A 28 LYS H A 28 LYS HGy 1.0 . 3.90 619 455 A 28 LYS H A 29 HIS H 1.0 . 3.53 620 456 A 28 LYS H A 29 HIS H 1.0 . 3.50 621 457 A 28 LYS H A 31 LEU H 1.0 . 5.06 622 458 A 28 LYS H A 31 LEU HDy% 1.0 . 4.77 623 458 A 28 LYS H A 31 LEU HDx% 1.0 . 4.77 624 459 A 28 LYS HA A 28 LYS HGx 1.0 . 4.06 625 459 A 28 LYS HGy A 28 LYS HA 1.0 . 4.06 626 460 A 28 LYS HA A 28 LYS HDx 1.0 . 4.44 627 460 A 28 LYS HA A 28 LYS HDy 1.0 . 4.44 628 461 A 29 HIS H A 28 LYS HA 1.0 . 4.50 629 462 A 31 LEU H A 28 LYS HA 1.0 . 4.50 630 463 A 31 LEU H A 28 LYS HA 1.0 . 4.06 631 464 A 28 LYS HA A 31 LEU HBx 1.0 . 4.61 632 464 A 28 LYS HA A 31 LEU HBy 1.0 . 4.61 633 465 A 28 LYS HA A 32 ASP H 1.0 . 4.59 634 466 A 28 LYS HA A 32 ASP H 1.0 . 4.50 635 467 A 28 LYS HBy A 29 HIS H 1.0 . 3.86 636 468 A 29 HIS H A 28 LYS HBx 1.0 . 3.86 637 469 A 28 LYS HGy A 28 LYS HEx 1.0 . 4.00 638 469 A 28 LYS HEx A 28 LYS HGx 1.0 . 4.00 639 470 A 28 LYS HGy A 28 LYS HEy 1.0 . 4.00 640 470 A 28 LYS HEy A 28 LYS HGx 1.0 . 4.00 641 471 A 28 LYS HEx A 28 LYS HGx 1.0 . 3.30 642 471 A 28 LYS HEy A 28 LYS HGx 1.0 . 3.30 643 471 A 28 LYS HGy A 28 LYS HEy 1.0 . 3.30 644 471 A 28 LYS HGy A 28 LYS HEx 1.0 . 3.30 645 472 A 29 HIS H A 28 LYS HGx 1.0 . 4.68 646 472 A 29 HIS H A 28 LYS HGy 1.0 . 4.68 647 473 A 29 HIS H A 30 PHE H 1.0 . 3.50 648 474 A 29 HIS H A 30 PHE H 1.0 . 3.56 649 475 A 29 HIS H A 31 LEU H 1.0 . 5.50 650 476 A 29 HIS H A 31 LEU H 1.0 . 4.55 651 477 A 29 HIS H A 32 ASP H 1.0 . 5.09 652 478 A 29 HIS HA A 29 HIS HD2 1.0 . 4.17 653 479 A 31 LEU H A 29 HIS HA 1.0 . 4.50 654 480 A 31 LEU H A 29 HIS HA 1.0 . 4.62 655 481 A 29 HIS HA A 33 GLY H 1.0 . 5.50 656 482 A 30 PHE H A 30 PHE HBy 1.0 . 3.58 657 482 A 30 PHE HBx A 30 PHE H 1.0 . 3.58 658 483 A 30 PHE H A 30 PHE HD% 1.0 . 4.25 659 484 A 30 PHE H A 31 LEU H 1.0 . 3.50 660 485 A 30 PHE H A 31 LEU H 1.0 . 3.64 661 486 A 30 PHE H A 32 ASP H 1.0 . 4.50 662 487 A 30 PHE H A 32 ASP H 1.0 . 4.60 663 488 A 31 LEU H A 30 PHE HA 1.0 . 4.50 664 489 A 32 ASP H A 30 PHE HA 1.0 . 4.81 665 490 A 33 GLY H A 30 PHE HA 1.0 . 5.50 666 491 A 30 PHE HA A 34 GLY H 1.0 . 5.50 667 492 A 64 ALA HB% A 30 PHE HA 1.0 . 5.50 668 493 A 30 PHE HBx A 32 ASP H 1.0 . 5.50 669 494 A 64 ALA HB% A 30 PHE HBx 1.0 . 4.17 670 495 A 32 ASP H A 30 PHE HBy 1.0 . 5.50 671 496 A 64 ALA HB% A 30 PHE HBy 1.0 . 4.17 672 497 A 31 LEU H A 30 PHE HBy 1.0 . 4.25 673 497 A 30 PHE HBx A 31 LEU H 1.0 . 4.25 674 498 A 30 PHE HBx A 31 LEU HDy% 1.0 . 4.85 675 498 A 30 PHE HBy A 31 LEU HDy% 1.0 . 4.85 676 498 A 31 LEU HDx% A 30 PHE HBy 1.0 . 4.85 677 498 A 30 PHE HBx A 31 LEU HDx% 1.0 . 4.85 678 499 A 32 ASP H A 30 PHE HBy 1.0 . 4.70 679 499 A 30 PHE HBx A 32 ASP H 1.0 . 4.70 680 500 A 31 LEU H A 30 PHE HD% 1.0 . 4.61 681 501 A 30 PHE HD% A 31 LEU HDy% 1.0 . 4.63 682 501 A 31 LEU HDx% A 30 PHE HD% 1.0 . 4.63 683 502 A 31 LEU H A 31 LEU HBx 1.0 . 3.70 684 503 A 31 LEU H A 31 LEU HBy 1.0 . 3.70 685 504 A 31 LEU H A 31 LEU HDx% 1.0 . 4.13 686 505 A 31 LEU H A 31 LEU HDy% 1.0 . 4.13 687 506 A 31 LEU H A 32 ASP H 1.0 . 3.68 688 507 A 31 LEU H A 32 ASP H 1.0 . 3.50 689 508 A 31 LEU H A 61 LEU HDy% 1.0 . 5.18 690 508 A 61 LEU HDx% A 31 LEU H 1.0 . 5.18 691 509 A 31 LEU HDx% A 31 LEU HA 1.0 . 4.06 692 510 A 31 LEU HA A 31 LEU HDy% 1.0 . 4.06 693 511 A 31 LEU HA A 31 LEU HDy% 1.0 . 3.53 694 511 A 31 LEU HDx% A 31 LEU HA 1.0 . 3.53 695 512 A 32 ASP H A 31 LEU HA 1.0 . 4.50 696 513 A 33 GLY H A 31 LEU HA 1.0 . 4.50 697 514 A 34 GLY H A 31 LEU HA 1.0 . 4.50 698 515 A 34 GLY H A 31 LEU HA 1.0 . 4.59 699 516 A 31 LEU HA A 61 LEU HDy% 1.0 . 2.86 700 516 A 61 LEU HDx% A 31 LEU HA 1.0 . 2.86 701 517 A 32 ASP H A 31 LEU HBx 1.0 . 3.73 702 518 A 31 LEU HBy A 32 ASP H 1.0 . 3.73 703 519 A 31 LEU HBx A 31 LEU HDy% 1.0 . 2.82 704 519 A 31 LEU HBy A 31 LEU HDy% 1.0 . 2.82 705 519 A 31 LEU HDx% A 31 LEU HBx 1.0 . 2.82 706 519 A 31 LEU HDx% A 31 LEU HBy 1.0 . 2.82 707 520 A 32 ASP HA A 31 LEU HBx 1.0 . 4.32 708 520 A 31 LEU HBy A 32 ASP HA 1.0 . 4.32 709 521 A 34 GLY H A 31 LEU HBx 1.0 . 5.19 710 521 A 31 LEU HBy A 34 GLY H 1.0 . 5.19 711 522 A 31 LEU HBy A 61 LEU HDy% 1.0 . 4.02 712 522 A 31 LEU HBx A 61 LEU HDy% 1.0 . 4.02 713 522 A 61 LEU HDx% A 31 LEU HBx 1.0 . 4.02 714 522 A 61 LEU HDx% A 31 LEU HBy 1.0 . 4.02 715 523 A 31 LEU HDx% A 32 ASP H 1.0 . 4.88 716 524 A 32 ASP H A 31 LEU HDy% 1.0 . 4.88 717 525 A 34 GLY H A 31 LEU HDy% 1.0 . 5.12 718 525 A 31 LEU HDx% A 34 GLY H 1.0 . 5.12 719 526 A 31 LEU HDy% A 35 GLU HGx 1.0 . 4.43 720 526 A 31 LEU HDx% A 35 GLU HGx 1.0 . 4.43 721 526 A 35 GLU HGy A 31 LEU HDy% 1.0 . 4.43 722 526 A 31 LEU HDx% A 35 GLU HGy 1.0 . 4.43 723 527 A 31 LEU HDy% A 61 LEU HDy% 1.0 . 6.00 724 527 A 31 LEU HDx% A 61 LEU HDy% 1.0 . 6.00 725 527 A 61 LEU HDx% A 31 LEU HDy% 1.0 . 6.00 726 527 A 61 LEU HDx% A 31 LEU HDx% 1.0 . 6.00 727 528 A 31 LEU HDx% A 61 LEU HDy% 1.0 . 2.94 728 528 A 31 LEU HDy% A 61 LEU HDy% 1.0 . 2.94 729 528 A 61 LEU HDx% A 31 LEU HDy% 1.0 . 2.94 730 528 A 61 LEU HDx% A 31 LEU HDx% 1.0 . 2.94 731 529 A 64 ALA HB% A 31 LEU HDy% 1.0 . 6.00 732 529 A 64 ALA HB% A 31 LEU HDx% 1.0 . 6.00 733 530 A 32 ASP H A 61 LEU HDy% 1.0 . 5.26 734 530 A 61 LEU HDx% A 32 ASP H 1.0 . 5.26 735 531 A 33 GLY H A 32 ASP HA 1.0 . 4.50 736 532 A 34 GLY H A 32 ASP HA 1.0 . 4.86 737 533 A 32 ASP HA A 35 GLU H 1.0 . 5.30 738 534 A 32 ASP HA A 35 GLU HBy 1.0 . 4.37 739 535 A 32 ASP HA A 35 GLU HGx 1.0 . 4.34 740 535 A 32 ASP HA A 35 GLU HGy 1.0 . 4.34 741 536 A 33 GLY H A 34 GLY H 1.0 . 3.50 742 537 A 33 GLY H A 34 GLY H 1.0 . 3.77 743 538 A 33 GLY H A 34 GLY HAy 1.0 . 5.26 744 539 A 33 GLY H A 34 GLY HAx 1.0 . 5.26 745 540 A 33 GLY H A 34 GLY HAy 1.0 . 4.55 746 540 A 33 GLY H A 34 GLY HAx 1.0 . 4.55 747 541 A 34 GLY H A 33 GLY HAy 1.0 . 4.50 748 541 A 34 GLY H A 33 GLY HAx 1.0 . 4.50 749 542 A 33 GLY HAx A 34 GLY HAy 1.0 . 4.24 750 542 A 33 GLY HAy A 34 GLY HAy 1.0 . 4.24 751 542 A 34 GLY HAx A 33 GLY HAy 1.0 . 4.24 752 542 A 34 GLY HAx A 33 GLY HAx 1.0 . 4.24 753 543 A 36 MET H A 33 GLY HAy 1.0 . 4.57 754 543 A 33 GLY HAx A 36 MET H 1.0 . 4.57 755 544 A 36 MET H A 33 GLY HAy 1.0 . 4.50 756 544 A 33 GLY HAx A 36 MET H 1.0 . 4.50 757 545 A 34 GLY H A 35 GLU HBy 1.0 . 5.07 758 546 A 34 GLY H A 36 MET H 1.0 . 4.12 759 547 A 34 GLY H A 37 ILE HG2% 1.0 . 5.50 760 548 A 34 GLY H A 61 LEU HG 1.0 . 5.30 761 549 A 34 GLY H A 61 LEU HDy% 1.0 . 3.79 762 549 A 61 LEU HDx% A 34 GLY H 1.0 . 3.79 763 550 A 35 GLU H A 34 GLY HAy 1.0 . 4.50 764 550 A 35 GLU H A 34 GLY HAx 1.0 . 4.50 765 551 A 35 GLU HA A 34 GLY HAy 1.0 . 5.07 766 551 A 34 GLY HAx A 35 GLU HA 1.0 . 5.07 767 552 A 37 ILE H A 34 GLY HAy 1.0 . 3.50 768 552 A 34 GLY HAx A 37 ILE H 1.0 . 3.50 769 553 A 61 LEU HG A 34 GLY HAy 1.0 . 4.60 770 553 A 34 GLY HAx A 61 LEU HG 1.0 . 4.60 771 554 A 34 GLY HAy A 61 LEU HDy% 1.0 . 3.60 772 554 A 34 GLY HAx A 61 LEU HDy% 1.0 . 3.60 773 554 A 61 LEU HDx% A 34 GLY HAy 1.0 . 3.60 774 554 A 61 LEU HDx% A 34 GLY HAx 1.0 . 3.60 775 555 A 35 GLU H A 35 GLU HBy 1.0 . 3.67 776 556 A 35 GLU H A 35 GLU HBx 1.0 . 3.77 777 557 A 35 GLU HGy A 35 GLU H 1.0 . 4.30 778 558 A 35 GLU H A 35 GLU HGx 1.0 . 4.30 779 559 A 35 GLU H A 35 GLU HGx 1.0 . 3.67 780 559 A 35 GLU HGy A 35 GLU H 1.0 . 3.67 781 560 A 35 GLU H A 36 MET H 1.0 . 3.80 782 561 A 35 GLU H A 36 MET H 1.0 . 3.50 783 562 A 35 GLU H A 37 ILE H 1.0 . 5.43 784 563 A 61 LEU HDx% A 35 GLU H 1.0 . 4.73 785 564 A 35 GLU H A 61 LEU HDy% 1.0 . 4.73 786 565 A 35 GLU H A 61 LEU HDy% 1.0 . 4.03 787 565 A 61 LEU HDx% A 35 GLU H 1.0 . 4.03 788 566 A 35 GLU HA A 35 GLU HGx 1.0 . 3.49 789 566 A 35 GLU HGy A 35 GLU HA 1.0 . 3.49 790 567 A 35 GLU HA A 37 ILE H 1.0 . 4.50 791 568 A 37 ILE HG2% A 35 GLU HA 1.0 . 4.71 792 569 A 35 GLU HA A 38 VAL H 1.0 . 4.22 793 570 A 35 GLU HA A 38 VAL HB 1.0 . 3.66 794 571 A 35 GLU HA A 38 VAL HGx% 1.0 . 4.69 795 572 A 35 GLU HA A 38 VAL HGy% 1.0 . 3.63 796 573 A 61 LEU HDx% A 35 GLU HA 1.0 . 5.50 797 574 A 35 GLU HA A 61 LEU HDy% 1.0 . 5.50 798 575 A 35 GLU HA A 61 LEU HDy% 1.0 . 4.53 799 575 A 61 LEU HDx% A 35 GLU HA 1.0 . 4.53 800 576 A 35 GLU HBy A 36 MET H 1.0 . 3.64 801 577 A 35 GLU HBy A 36 MET HGx 1.0 . 4.49 802 577 A 35 GLU HBy A 36 MET HGy 1.0 . 4.49 803 578 A 36 MET H A 35 GLU HBx 1.0 . 4.22 804 579 A 35 GLU HBx A 38 VAL HGy% 1.0 . 4.68 805 580 A 35 GLU HGy A 61 LEU HDy% 1.0 . 4.18 806 580 A 61 LEU HDx% A 35 GLU HGx 1.0 . 4.18 807 580 A 61 LEU HDx% A 35 GLU HGy 1.0 . 4.18 808 580 A 35 GLU HGx A 61 LEU HDy% 1.0 . 4.18 809 581 A 36 MET H A 36 MET HBy 1.0 . 4.15 810 582 A 36 MET H A 36 MET HBx 1.0 . 4.15 811 583 A 36 MET H A 36 MET HBx 1.0 . 3.33 812 583 A 36 MET H A 36 MET HBy 1.0 . 3.33 813 584 A 36 MET H A 36 MET HGy 1.0 . 3.82 814 585 A 36 MET H A 36 MET HGx 1.0 . 3.82 815 586 A 36 MET H A 36 MET HGx 1.0 . 3.34 816 586 A 36 MET H A 36 MET HGy 1.0 . 3.34 817 587 A 36 MET H A 37 ILE H 1.0 . 3.50 818 588 A 36 MET H A 37 ILE H 1.0 . 3.40 819 589 A 36 MET H A 37 ILE HA 1.0 . 5.50 820 590 A 36 MET H A 37 ILE HG2% 1.0 . 4.87 821 591 A 36 MET H A 39 THR H 1.0 . 5.44 822 592 A 36 MET H A 61 LEU HDy% 1.0 . 5.44 823 592 A 61 LEU HDx% A 36 MET H 1.0 . 5.44 824 593 A 36 MET HGy A 36 MET HA 1.0 . 4.04 825 594 A 36 MET HA A 36 MET HGx 1.0 . 4.04 826 595 A 36 MET HA A 36 MET HGx 1.0 . 3.45 827 595 A 36 MET HGy A 36 MET HA 1.0 . 3.45 828 596 A 37 ILE H A 36 MET HA 1.0 . 4.50 829 597 A 37 ILE HA A 36 MET HA 1.0 . 5.50 830 598 A 39 THR H A 36 MET HA 1.0 . 4.04 831 599 A 37 ILE H A 36 MET HBx 1.0 . 3.57 832 599 A 37 ILE H A 36 MET HBy 1.0 . 3.57 833 600 A 37 ILE H A 37 ILE HB 1.0 . 3.38 834 601 A 37 ILE H A 37 ILE HG1x 1.0 . 4.19 835 601 A 37 ILE H A 37 ILE HG1y 1.0 . 4.19 836 602 A 37 ILE H A 37 ILE HD1% 1.0 . 4.86 837 603 A 37 ILE H A 40 ALA HB% 1.0 . 5.50 838 604 A 37 ILE HG2% A 37 ILE HA 1.0 . 3.52 839 605 A 37 ILE HA A 37 ILE HD1% 1.0 . 3.85 840 606 A 37 ILE HA A 40 ALA H 1.0 . 4.26 841 607 A 37 ILE HA A 40 ALA HB% 1.0 . 3.63 842 608 A 37 ILE HA A 53 LEU HG 1.0 . 5.50 843 609 A 37 ILE HA A 53 LEU HDy% 1.0 . 5.26 844 609 A 37 ILE HA A 53 LEU HDx% 1.0 . 5.26 845 610 A 37 ILE HB A 37 ILE HD1% 1.0 . 3.95 846 611 A 37 ILE HB A 40 ALA HB% 1.0 . 5.50 847 612 A 37 ILE HG2% A 37 ILE HG1y 1.0 . 3.97 848 613 A 37 ILE HG2% A 37 ILE HG1x 1.0 . 3.97 849 614 A 37 ILE HG2% A 37 ILE HG1x 1.0 . 3.34 850 614 A 37 ILE HG2% A 37 ILE HG1y 1.0 . 3.34 851 615 A 37 ILE HG2% A 38 VAL H 1.0 . 3.68 852 616 A 37 ILE HG2% A 41 ALA HB% 1.0 . 4.19 853 617 A 37 ILE HG2% A 53 LEU HA 1.0 . 4.05 854 618 A 37 ILE HG2% A 53 LEU HBx 1.0 . 4.55 855 618 A 37 ILE HG2% A 53 LEU HBy 1.0 . 4.55 856 619 A 37 ILE HG2% A 53 LEU HDy% 1.0 . 5.48 857 619 A 37 ILE HG2% A 53 LEU HDx% 1.0 . 5.48 858 620 A 37 ILE HG2% A 53 LEU HDy% 1.0 . 4.17 859 620 A 37 ILE HG2% A 53 LEU HDx% 1.0 . 4.17 860 621 A 37 ILE HG2% A 54 LEU H 1.0 . 4.84 861 622 A 37 ILE HG2% A 54 LEU HDy% 1.0 . 5.63 862 622 A 37 ILE HG2% A 54 LEU HDx% 1.0 . 5.63 863 623 A 37 ILE HG2% A 57 GLY H 1.0 . 4.14 864 624 A 37 ILE HG2% A 57 GLY HAy 1.0 . 4.09 865 625 A 37 ILE HG2% A 57 GLY HAx 1.0 . 4.09 866 626 A 37 ILE HG2% A 57 GLY HAy 1.0 . 4.57 867 626 A 37 ILE HG2% A 57 GLY HAx 1.0 . 4.57 868 627 A 37 ILE HG2% A 58 LYS H 1.0 . 5.06 869 628 A 40 ALA HB% A 37 ILE HG1x 1.0 . 5.31 870 628 A 37 ILE HG1y A 40 ALA HB% 1.0 . 5.31 871 629 A 53 LEU HA A 37 ILE HG1x 1.0 . 4.70 872 629 A 37 ILE HG1y A 53 LEU HA 1.0 . 4.70 873 630 A 37 ILE HG1y A 53 LEU HDy% 1.0 . 4.07 874 630 A 37 ILE HG1x A 53 LEU HDy% 1.0 . 4.07 875 630 A 53 LEU HDx% A 37 ILE HG1x 1.0 . 4.07 876 630 A 37 ILE HG1y A 53 LEU HDx% 1.0 . 4.07 877 631 A 38 VAL H A 37 ILE HD1% 1.0 . 5.31 878 632 A 37 ILE HD1% A 53 LEU HG 1.0 . 5.00 879 633 A 37 ILE HD1% A 53 LEU HG 1.0 . 4.05 880 634 A 37 ILE HD1% A 53 LEU HDy% 1.0 . 5.27 881 634 A 37 ILE HD1% A 53 LEU HDx% 1.0 . 5.27 882 635 A 37 ILE HD1% A 53 LEU HDy% 1.0 . 3.95 883 635 A 37 ILE HD1% A 53 LEU HDx% 1.0 . 3.95 884 636 A 37 ILE HD1% A 54 LEU HG 1.0 . 6.00 885 637 A 38 VAL H A 38 VAL HB 1.0 . 3.38 886 638 A 38 VAL H A 38 VAL HGx% 1.0 . 3.82 887 639 A 38 VAL H A 38 VAL HGy% 1.0 . 3.88 888 640 A 38 VAL H A 39 THR H 1.0 . 3.54 889 641 A 38 VAL H A 40 ALA H 1.0 . 4.36 890 642 A 38 VAL H A 40 ALA HB% 1.0 . 5.50 891 643 A 38 VAL H A 41 ALA H 1.0 . 5.39 892 644 A 38 VAL HGx% A 38 VAL HA 1.0 . 3.38 893 645 A 38 VAL HGy% A 38 VAL HA 1.0 . 3.26 894 646 A 40 ALA H A 38 VAL HA 1.0 . 4.72 895 647 A 41 ALA H A 38 VAL HA 1.0 . 4.25 896 648 A 41 ALA HB% A 38 VAL HA 1.0 . 3.80 897 649 A 54 LEU H A 38 VAL HA 1.0 . 5.50 898 650 A 38 VAL HA A 54 LEU HA 1.0 . 4.37 899 651 A 38 VAL HA A 54 LEU HDy% 1.0 . 3.66 900 652 A 38 VAL HB A 39 THR H 1.0 . 3.68 901 653 A 38 VAL HB A 39 THR HG2% 1.0 . 5.00 902 654 A 38 VAL HGx% A 39 THR H 1.0 . 3.93 903 655 A 38 VAL HGx% A 39 THR HA 1.0 . 4.18 904 656 A 38 VAL HGx% A 40 ALA H 1.0 . 5.41 905 657 A 38 VAL HGx% A 42 GLU HA 1.0 . 5.24 906 658 A 38 VAL HGx% A 42 GLU HGx 1.0 . 4.14 907 658 A 38 VAL HGx% A 42 GLU HGy 1.0 . 4.14 908 659 A 38 VAL HGx% A 54 LEU HA 1.0 . 5.48 909 660 A 38 VAL HGy% A 39 THR H 1.0 . 4.07 910 661 A 38 VAL HGy% A 41 ALA HB% 1.0 . 4.53 911 662 A 38 VAL HGy% A 54 LEU HA 1.0 . 3.89 912 663 A 38 VAL HGy% A 54 LEU HG 1.0 . 4.61 913 664 A 39 THR H A 39 THR HB 1.0 . 3.32 914 665 A 39 THR H A 39 THR HG2% 1.0 . 3.52 915 666 A 39 THR H A 40 ALA H 1.0 . 3.47 916 667 A 39 THR H A 42 GLU H 1.0 . 5.23 917 668 A 39 THR HG2% A 39 THR HA 1.0 . 3.20 918 669 A 41 ALA HB% A 39 THR HA 1.0 . 5.36 919 670 A 39 THR HA A 42 GLU H 1.0 . 3.96 920 671 A 39 THR HA A 42 GLU HBy 1.0 . 3.92 921 672 A 39 THR HA A 42 GLU HGy 1.0 . 4.95 922 673 A 39 THR HA A 42 GLU HGx 1.0 . 4.95 923 674 A 39 THR HA A 42 GLU HGx 1.0 . 4.29 924 674 A 39 THR HA A 42 GLU HGy 1.0 . 4.29 925 675 A 39 THR HA A 43 LYS H 1.0 . 4.39 926 676 A 40 ALA H A 39 THR HB 1.0 . 4.09 927 677 A 40 ALA HB% A 39 THR HB 1.0 . 5.50 928 678 A 40 ALA H A 39 THR HG2% 1.0 . 3.24 929 679 A 39 THR HG2% A 42 GLU H 1.0 . 5.50 930 680 A 39 THR HG2% A 43 LYS H 1.0 . 5.13 931 681 A 40 ALA HB% A 40 ALA H 1.0 . 3.21 932 682 A 40 ALA H A 41 ALA H 1.0 . 3.49 933 683 A 40 ALA H A 41 ALA HB% 1.0 . 4.49 934 684 A 40 ALA H A 42 GLU H 1.0 . 4.59 935 685 A 43 LYS H A 40 ALA HA 1.0 . 4.38 936 686 A 40 ALA HA A 43 LYS HBx 1.0 . 4.34 937 687 A 40 ALA HA A 43 LYS HBy 1.0 . 4.34 938 688 A 40 ALA HA A 43 LYS HBy 1.0 . 3.78 939 688 A 40 ALA HA A 43 LYS HBx 1.0 . 3.78 940 689 A 40 ALA HA A 43 LYS HDx 1.0 . 4.23 941 689 A 40 ALA HA A 43 LYS HDy 1.0 . 4.23 942 690 A 40 ALA HA A 53 LEU HDy% 1.0 . 5.44 943 690 A 53 LEU HDx% A 40 ALA HA 1.0 . 5.44 944 691 A 40 ALA HB% A 41 ALA H 1.0 . 3.42 945 692 A 40 ALA HB% A 41 ALA HA 1.0 . 4.20 946 693 A 40 ALA HB% A 41 ALA HB% 1.0 . 4.19 947 694 A 40 ALA HB% A 42 GLU H 1.0 . 5.50 948 695 A 40 ALA HB% A 43 LYS H 1.0 . 5.10 949 696 A 40 ALA HB% A 43 LYS HBy 1.0 . 5.34 950 696 A 40 ALA HB% A 43 LYS HBx 1.0 . 5.34 951 697 A 40 ALA HB% A 44 GLU H 1.0 . 5.15 952 698 A 40 ALA HB% A 47 GLN HBy 1.0 . 6.00 953 698 A 40 ALA HB% A 47 GLN HBx 1.0 . 6.00 954 699 A 40 ALA HB% A 47 GLN HGx 1.0 . 6.00 955 699 A 40 ALA HB% A 47 GLN HGy 1.0 . 6.00 956 700 A 40 ALA HB% A 47 GLN HE2y 1.0 . 6.00 957 700 A 40 ALA HB% A 47 GLN HE2x 1.0 . 6.00 958 701 A 40 ALA HB% A 50 ARG HA 1.0 . 4.91 959 702 A 40 ALA HB% A 53 LEU HDy% 1.0 . 4.34 960 702 A 40 ALA HB% A 53 LEU HDx% 1.0 . 4.34 961 703 A 40 ALA HB% A 53 LEU HDy% 1.0 . 5.00 962 703 A 40 ALA HB% A 53 LEU HDx% 1.0 . 5.00 963 704 A 41 ALA HB% A 41 ALA H 1.0 . 3.10 964 705 A 41 ALA H A 42 GLU H 1.0 . 3.54 965 706 A 41 ALA H A 42 GLU HGx 1.0 . 5.32 966 706 A 41 ALA H A 42 GLU HGy 1.0 . 5.32 967 707 A 41 ALA H A 43 LYS H 1.0 . 4.33 968 708 A 41 ALA H A 44 GLU H 1.0 . 4.93 969 709 A 41 ALA H A 50 ARG HGy 1.0 . 4.92 970 709 A 41 ALA H A 50 ARG HGx 1.0 . 4.92 971 710 A 54 LEU HDx% A 41 ALA H 1.0 . 5.50 972 711 A 41 ALA HA A 44 GLU H 1.0 . 3.83 973 712 A 41 ALA HA A 44 GLU HBy 1.0 . 3.78 974 712 A 41 ALA HA A 44 GLU HBx 1.0 . 3.78 975 713 A 41 ALA HA A 44 GLU HGx 1.0 . 4.26 976 714 A 41 ALA HA A 44 GLU HGy 1.0 . 4.25 977 715 A 41 ALA HA A 45 ALA H 1.0 . 5.50 978 716 A 41 ALA HA A 50 ARG HGy 1.0 . 3.84 979 716 A 41 ALA HA A 50 ARG HGx 1.0 . 3.84 980 717 A 41 ALA HA A 50 ARG HDx 1.0 . 3.92 981 717 A 41 ALA HA A 50 ARG HDy 1.0 . 3.92 982 718 A 54 LEU HDx% A 41 ALA HA 1.0 . 4.37 983 719 A 41 ALA HB% A 42 GLU H 1.0 . 3.43 984 720 A 41 ALA HB% A 42 GLU HA 1.0 . 3.94 985 721 A 41 ALA HB% A 42 GLU HGy 1.0 . 4.52 986 722 A 41 ALA HB% A 42 GLU HGx 1.0 . 4.52 987 723 A 41 ALA HB% A 43 LYS H 1.0 . 5.00 988 724 A 41 ALA HB% A 44 GLU H 1.0 . 4.53 989 725 A 41 ALA HB% A 50 ARG HA 1.0 . 3.96 990 726 A 41 ALA HB% A 50 ARG HGy 1.0 . 3.86 991 726 A 41 ALA HB% A 50 ARG HGx 1.0 . 3.86 992 727 A 41 ALA HB% A 53 LEU H 1.0 . 4.48 993 728 A 41 ALA HB% A 53 LEU HA 1.0 . 5.50 994 729 A 41 ALA HB% A 53 LEU HBx 1.0 . 4.05 995 730 A 41 ALA HB% A 53 LEU HBy 1.0 . 4.05 996 731 A 41 ALA HB% A 53 LEU HBx 1.0 . 3.43 997 731 A 41 ALA HB% A 53 LEU HBy 1.0 . 3.43 998 732 A 53 LEU HDx% A 41 ALA HB% 1.0 . 5.20 999 733 A 41 ALA HB% A 53 LEU HDy% 1.0 . 5.20 1000 734 A 41 ALA HB% A 53 LEU HDy% 1.0 . 5.00 1001 734 A 53 LEU HDx% A 41 ALA HB% 1.0 . 5.00 1002 735 A 41 ALA HB% A 53 LEU HDy% 1.0 . 3.95 1003 735 A 53 LEU HDx% A 41 ALA HB% 1.0 . 3.95 1004 736 A 41 ALA HB% A 54 LEU H 1.0 . 3.58 1005 737 A 41 ALA HB% A 54 LEU HBy 1.0 . 4.40 1006 738 A 41 ALA HB% A 54 LEU HDx% 1.0 . 3.47 1007 739 A 41 ALA HB% A 54 LEU HDy% 1.0 . 3.23 1008 740 A 42 GLU H A 42 GLU HBy 1.0 . 3.08 1009 741 A 42 GLU HGy A 42 GLU H 1.0 . 3.54 1010 742 A 42 GLU H A 42 GLU HGx 1.0 . 3.54 1011 743 A 42 GLU H A 42 GLU HGx 1.0 . 3.08 1012 743 A 42 GLU HGy A 42 GLU H 1.0 . 3.08 1013 744 A 42 GLU H A 43 LYS H 1.0 . 3.24 1014 745 A 42 GLU H A 50 ARG HGy 1.0 . 5.11 1015 745 A 42 GLU H A 50 ARG HGx 1.0 . 5.11 1016 746 A 54 LEU HDx% A 42 GLU H 1.0 . 4.86 1017 747 A 42 GLU H A 54 LEU HDy% 1.0 . 4.12 1018 748 A 42 GLU HA A 42 GLU HGy 1.0 . 3.90 1019 749 A 42 GLU HA A 42 GLU HGx 1.0 . 3.90 1020 750 A 42 GLU HA A 42 GLU HGx 1.0 . 3.42 1021 750 A 42 GLU HA A 42 GLU HGy 1.0 . 3.42 1022 751 A 42 GLU HA A 43 LYS HA 1.0 . 4.79 1023 752 A 42 GLU HBy A 43 LYS H 1.0 . 3.57 1024 753 A 43 LYS H A 42 GLU HBx 1.0 . 3.96 1025 754 A 43 LYS HA A 42 GLU HBx 1.0 . 4.73 1026 755 A 42 GLU HGy A 43 LYS H 1.0 . 5.06 1027 756 A 42 GLU HGy A 54 LEU HDy% 1.0 . 4.00 1028 757 A 43 LYS H A 42 GLU HGx 1.0 . 5.06 1029 758 A 42 GLU HGx A 54 LEU HDy% 1.0 . 4.00 1030 759 A 43 LYS H A 42 GLU HGx 1.0 . 4.30 1031 759 A 42 GLU HGy A 43 LYS H 1.0 . 4.30 1032 760 A 43 LYS H A 43 LYS HBy 1.0 . 3.18 1033 760 A 43 LYS H A 43 LYS HBx 1.0 . 3.18 1034 761 A 43 LYS H A 43 LYS HGx 1.0 . 4.20 1035 761 A 43 LYS H A 43 LYS HGy 1.0 . 4.20 1036 762 A 43 LYS H A 43 LYS HDx 1.0 . 5.23 1037 762 A 43 LYS H A 43 LYS HDy 1.0 . 5.23 1038 763 A 43 LYS H A 44 GLU HGx 1.0 . 4.86 1039 764 A 43 LYS HA A 43 LYS HGx 1.0 . 3.32 1040 764 A 43 LYS HA A 43 LYS HGy 1.0 . 3.32 1041 765 A 43 LYS HA A 43 LYS HDx 1.0 . 3.87 1042 765 A 43 LYS HDy A 43 LYS HA 1.0 . 3.87 1043 766 A 43 LYS HBx A 44 GLU H 1.0 . 4.09 1044 767 A 44 GLU H A 43 LYS HBy 1.0 . 4.09 1045 768 A 43 LYS HBy A 43 LYS HDx 1.0 . 3.61 1046 768 A 43 LYS HBx A 43 LYS HDx 1.0 . 3.61 1047 768 A 43 LYS HDy A 43 LYS HBy 1.0 . 3.61 1048 768 A 43 LYS HBx A 43 LYS HDy 1.0 . 3.61 1049 769 A 44 GLU H A 43 LYS HGx 1.0 . 4.67 1050 769 A 44 GLU H A 43 LYS HGy 1.0 . 4.67 1051 770 A 44 GLU H A 44 GLU HBy 1.0 . 3.29 1052 770 A 44 GLU H A 44 GLU HBx 1.0 . 3.29 1053 771 A 44 GLU H A 44 GLU HGx 1.0 . 3.81 1054 772 A 44 GLU H A 44 GLU HGy 1.0 . 4.52 1055 773 A 44 GLU H A 45 ALA H 1.0 . 4.48 1056 774 A 44 GLU H A 45 ALA HA 1.0 . 5.38 1057 775 A 44 GLU H A 50 ARG HDx 1.0 . 5.13 1058 775 A 44 GLU H A 50 ARG HDy 1.0 . 5.13 1059 776 A 44 GLU HGx A 44 GLU HA 1.0 . 3.85 1060 777 A 44 GLU HGy A 44 GLU HA 1.0 . 4.03 1061 778 A 45 ALA H A 44 GLU HA 1.0 . 2.80 1062 779 A 44 GLU HA A 45 ALA HB% 1.0 . 3.89 1063 780 A 45 ALA H A 44 GLU HBy 1.0 . 4.05 1064 781 A 44 GLU HBx A 45 ALA H 1.0 . 4.05 1065 782 A 44 GLU HBy A 53 LEU HDy% 1.0 . 5.28 1066 782 A 44 GLU HBx A 53 LEU HDy% 1.0 . 5.28 1067 782 A 53 LEU HDx% A 44 GLU HBy 1.0 . 5.28 1068 782 A 53 LEU HDx% A 44 GLU HBx 1.0 . 5.28 1069 783 A 44 GLU HGx A 45 ALA H 1.0 . 4.65 1070 784 A 44 GLU HGx A 53 LEU HDy% 1.0 . 5.44 1071 784 A 53 LEU HDx% A 44 GLU HGx 1.0 . 5.44 1072 785 A 44 GLU HGy A 45 ALA H 1.0 . 4.52 1073 786 A 45 ALA H A 45 ALA HB% 1.0 . 2.94 1074 787 A 45 ALA H A 47 GLN HBy 1.0 . 4.53 1075 788 A 45 ALA H A 50 ARG HBy 1.0 . 4.98 1076 788 A 45 ALA H A 50 ARG HBx 1.0 . 4.98 1077 789 A 45 ALA HA A 47 GLN H 1.0 . 4.13 1078 790 A 45 ALA HB% A 46 SER H 1.0 . 3.20 1079 791 A 45 ALA HB% A 46 SER HA 1.0 . 4.39 1080 792 A 45 ALA HB% A 47 GLN H 1.0 . 4.94 1081 793 A 46 SER H A 46 SER HBx 1.0 . 3.11 1082 793 A 46 SER H A 46 SER HBy 1.0 . 3.11 1083 794 A 47 GLN H A 46 SER H 1.0 . 4.29 1084 795 A 46 SER H A 47 GLN HA 1.0 . 5.34 1085 796 A 46 SER H A 47 GLN HBy 1.0 . 4.71 1086 797 A 47 GLN H A 46 SER HA 1.0 . 3.10 1087 798 A 46 SER HA A 47 GLN HA 1.0 . 4.61 1088 799 A 46 SER HA A 47 GLN HBy 1.0 . 5.23 1089 800 A 47 GLN H A 46 SER HBx 1.0 . 4.09 1090 800 A 47 GLN H A 46 SER HBy 1.0 . 4.09 1091 801 A 46 SER HBy A 47 GLN HBy 1.0 . 5.00 1092 801 A 46 SER HBx A 47 GLN HBy 1.0 . 5.00 1093 802 A 47 GLN H A 47 GLN HBy 1.0 . 3.37 1094 803 A 47 GLN HBx A 47 GLN H 1.0 . 3.37 1095 804 A 47 GLN H A 47 GLN HGx 1.0 . 4.37 1096 804 A 47 GLN HGy A 47 GLN H 1.0 . 4.37 1097 805 A 47 GLN H A 49 VAL H 1.0 . 5.50 1098 806 A 47 GLN H A 49 VAL HGy% 1.0 . 5.50 1099 807 A 47 GLN HA A 47 GLN HGx 1.0 . 3.45 1100 807 A 47 GLN HGy A 47 GLN HA 1.0 . 3.45 1101 808 A 47 GLN HA A 48 LYS HGx 1.0 . 4.03 1102 808 A 47 GLN HA A 48 LYS HGy 1.0 . 4.03 1103 809 A 47 GLN HA A 49 VAL H 1.0 . 4.13 1104 810 A 47 GLN HGy A 47 GLN HBy 1.0 . 2.97 1105 810 A 47 GLN HBy A 47 GLN HGx 1.0 . 2.97 1106 811 A 48 LYS H A 47 GLN HBy 1.0 . 4.40 1107 812 A 50 ARG H A 47 GLN HBy 1.0 . 4.37 1108 813 A 47 GLN HBx A 47 GLN HGy 1.0 . 2.85 1109 813 A 47 GLN HBx A 47 GLN HGx 1.0 . 2.85 1110 814 A 47 GLN HBx A 48 LYS H 1.0 . 3.94 1111 815 A 48 LYS H A 47 GLN HGx 1.0 . 4.04 1112 815 A 47 GLN HGy A 48 LYS H 1.0 . 4.04 1113 816 A 51 ASN H A 47 GLN HGx 1.0 . 5.09 1114 816 A 47 GLN HGy A 51 ASN H 1.0 . 5.09 1115 817 A 48 LYS H A 48 LYS HBy 1.0 . 3.24 1116 818 A 48 LYS H A 48 LYS HBx 1.0 . 3.62 1117 819 A 48 LYS HGy A 48 LYS H 1.0 . 4.09 1118 820 A 48 LYS H A 48 LYS HGx 1.0 . 4.09 1119 821 A 48 LYS H A 48 LYS HGx 1.0 . 3.43 1120 821 A 48 LYS HGy A 48 LYS H 1.0 . 3.43 1121 822 A 48 LYS H A 48 LYS HDx 1.0 . 4.27 1122 822 A 48 LYS H A 48 LYS HDy 1.0 . 4.27 1123 823 A 49 VAL H A 48 LYS H 1.0 . 3.28 1124 824 A 49 VAL HGy% A 48 LYS H 1.0 . 4.14 1125 825 A 48 LYS H A 50 ARG H 1.0 . 4.39 1126 826 A 48 LYS HA A 48 LYS HGx 1.0 . 3.74 1127 826 A 48 LYS HGy A 48 LYS HA 1.0 . 3.74 1128 827 A 48 LYS HA A 48 LYS HDx 1.0 . 4.70 1129 827 A 48 LYS HDy A 48 LYS HA 1.0 . 4.70 1130 828 A 49 VAL H A 48 LYS HA 1.0 . 3.52 1131 829 A 48 LYS HA A 49 VAL HA 1.0 . 4.92 1132 830 A 48 LYS HA A 49 VAL HGx% 1.0 . 5.50 1133 831 A 50 ARG H A 48 LYS HA 1.0 . 4.50 1134 832 A 51 ASN H A 48 LYS HA 1.0 . 4.50 1135 833 A 51 ASN H A 48 LYS HA 1.0 . 4.15 1136 834 A 48 LYS HA A 51 ASN HBx 1.0 . 4.93 1137 835 A 48 LYS HA A 51 ASN HBy 1.0 . 4.73 1138 836 A 49 VAL H A 48 LYS HBy 1.0 . 3.71 1139 837 A 49 VAL HGy% A 48 LYS HBy 1.0 . 4.78 1140 838 A 49 VAL H A 48 LYS HBx 1.0 . 4.08 1141 839 A 48 LYS HGy A 48 LYS HEx 1.0 . 4.20 1142 839 A 48 LYS HGy A 48 LYS HEy 1.0 . 4.20 1143 840 A 49 VAL H A 48 LYS HGy 1.0 . 4.75 1144 841 A 48 LYS HEy A 48 LYS HGx 1.0 . 4.20 1145 841 A 48 LYS HEx A 48 LYS HGx 1.0 . 4.20 1146 842 A 49 VAL H A 48 LYS HGx 1.0 . 4.75 1147 843 A 49 VAL H A 49 VAL HB 1.0 . 3.71 1148 844 A 49 VAL H A 49 VAL HGx% 1.0 . 3.74 1149 845 A 49 VAL H A 49 VAL HGy% 1.0 . 3.06 1150 846 A 49 VAL H A 50 ARG H 1.0 . 3.34 1151 847 A 49 VAL H A 50 ARG H 1.0 . 3.50 1152 848 A 49 VAL H A 50 ARG HBy 1.0 . 4.77 1153 848 A 50 ARG HBx A 49 VAL H 1.0 . 4.77 1154 849 A 49 VAL H A 51 ASN H 1.0 . 4.63 1155 850 A 49 VAL HA A 49 VAL HGx% 1.0 . 3.51 1156 851 A 49 VAL HGy% A 49 VAL HA 1.0 . 3.26 1157 852 A 50 ARG H A 49 VAL HA 1.0 . 4.50 1158 853 A 51 ASN H A 49 VAL HA 1.0 . 4.50 1159 854 A 51 ASN H A 49 VAL HA 1.0 . 4.42 1160 855 A 49 VAL HA A 52 LEU H 1.0 . 4.00 1161 856 A 49 VAL HA A 52 LEU H 1.0 . 3.81 1162 857 A 49 VAL HA A 52 LEU HBx 1.0 . 4.47 1163 858 A 49 VAL HA A 52 LEU HBy 1.0 . 4.56 1164 859 A 49 VAL HA A 52 LEU HDx% 1.0 . 5.38 1165 860 A 49 VAL HA A 52 LEU HDy% 1.0 . 5.38 1166 861 A 49 VAL HA A 52 LEU HDy% 1.0 . 4.32 1167 861 A 49 VAL HA A 52 LEU HDx% 1.0 . 4.32 1168 862 A 53 LEU H A 49 VAL HA 1.0 . 4.35 1169 863 A 53 LEU H A 49 VAL HA 1.0 . 5.00 1170 864 A 50 ARG H A 49 VAL HB 1.0 . 4.25 1171 865 A 50 ARG HA A 49 VAL HB 1.0 . 4.94 1172 866 A 49 VAL HB A 52 LEU H 1.0 . 4.80 1173 867 A 49 VAL HB A 52 LEU HDy% 1.0 . 4.44 1174 867 A 49 VAL HB A 52 LEU HDx% 1.0 . 4.44 1175 868 A 49 VAL HB A 53 LEU HDy% 1.0 . 5.44 1176 868 A 53 LEU HDx% A 49 VAL HB 1.0 . 5.44 1177 869 A 50 ARG H A 49 VAL HGx% 1.0 . 4.33 1178 870 A 49 VAL HGx% A 52 LEU HBx 1.0 . 5.50 1179 871 A 49 VAL HGx% A 52 LEU HDy% 1.0 . 4.73 1180 871 A 49 VAL HGx% A 52 LEU HDx% 1.0 . 4.73 1181 872 A 49 VAL HGy% A 50 ARG H 1.0 . 4.05 1182 873 A 53 LEU H A 49 VAL HGy% 1.0 . 5.10 1183 874 A 50 ARG HBx A 50 ARG H 1.0 . 3.56 1184 875 A 50 ARG H A 50 ARG HBy 1.0 . 3.56 1185 876 A 50 ARG H A 50 ARG HGy 1.0 . 5.20 1186 876 A 50 ARG HGx A 50 ARG H 1.0 . 5.20 1187 877 A 50 ARG H A 50 ARG HDx 1.0 . 4.48 1188 877 A 50 ARG HDy A 50 ARG H 1.0 . 4.48 1189 878 A 50 ARG H A 51 ASN H 1.0 . 3.50 1190 879 A 50 ARG H A 51 ASN H 1.0 . 3.50 1191 880 A 50 ARG H A 51 ASN H 1.0 . 3.48 1192 881 A 50 ARG H A 51 ASN HBx 1.0 . 5.50 1193 882 A 50 ARG H A 51 ASN HBy 1.0 . 5.38 1194 883 A 50 ARG H A 52 LEU H 1.0 . 4.46 1195 884 A 53 LEU H A 50 ARG H 1.0 . 4.80 1196 885 A 53 LEU HG A 50 ARG H 1.0 . 6.00 1197 886 A 50 ARG H A 53 LEU HDy% 1.0 . 4.80 1198 886 A 53 LEU HDx% A 50 ARG H 1.0 . 4.80 1199 887 A 50 ARG HA A 50 ARG HGx 1.0 . 4.12 1200 888 A 50 ARG HA A 50 ARG HGy 1.0 . 4.12 1201 889 A 50 ARG HA A 51 ASN H 1.0 . 4.00 1202 890 A 50 ARG HA A 52 LEU H 1.0 . 4.82 1203 891 A 50 ARG HA A 52 LEU H 1.0 . 5.00 1204 892 A 50 ARG HA A 53 LEU H 1.0 . 5.00 1205 893 A 50 ARG HA A 53 LEU H 1.0 . 4.49 1206 894 A 53 LEU HG A 50 ARG HA 1.0 . 4.89 1207 895 A 50 ARG HA A 53 LEU HDy% 1.0 . 3.98 1208 895 A 53 LEU HDx% A 50 ARG HA 1.0 . 3.98 1209 896 A 54 LEU H A 50 ARG HA 1.0 . 5.00 1210 897 A 54 LEU H A 50 ARG HA 1.0 . 5.18 1211 898 A 54 LEU HDx% A 50 ARG HA 1.0 . 5.50 1212 899 A 50 ARG HBx A 51 ASN H 1.0 . 4.17 1213 900 A 51 ASN H A 50 ARG HBy 1.0 . 4.17 1214 901 A 51 ASN H A 50 ARG HBy 1.0 . 3.51 1215 901 A 50 ARG HBx A 51 ASN H 1.0 . 3.51 1216 902 A 50 ARG HBx A 53 LEU HDy% 1.0 . 4.49 1217 902 A 50 ARG HBy A 53 LEU HDy% 1.0 . 4.49 1218 902 A 53 LEU HDx% A 50 ARG HBy 1.0 . 4.49 1219 902 A 53 LEU HDx% A 50 ARG HBx 1.0 . 4.49 1220 903 A 51 ASN H A 50 ARG HGy 1.0 . 4.18 1221 903 A 50 ARG HGx A 51 ASN H 1.0 . 4.18 1222 904 A 51 ASN HA A 50 ARG HGy 1.0 . 4.01 1223 904 A 50 ARG HGx A 51 ASN HA 1.0 . 4.01 1224 905 A 53 LEU H A 50 ARG HGy 1.0 . 5.04 1225 905 A 50 ARG HGx A 53 LEU H 1.0 . 5.04 1226 906 A 50 ARG HGx A 53 LEU HBx 1.0 . 4.05 1227 906 A 50 ARG HGy A 53 LEU HBx 1.0 . 4.05 1228 906 A 53 LEU HBy A 50 ARG HGy 1.0 . 4.05 1229 906 A 53 LEU HBy A 50 ARG HGx 1.0 . 4.05 1230 907 A 50 ARG HGx A 53 LEU HDy% 1.0 . 3.83 1231 907 A 50 ARG HGy A 53 LEU HDy% 1.0 . 3.83 1232 907 A 53 LEU HDx% A 50 ARG HGy 1.0 . 3.83 1233 907 A 53 LEU HDx% A 50 ARG HGx 1.0 . 3.83 1234 908 A 54 LEU HDx% A 50 ARG HGy 1.0 . 3.38 1235 908 A 54 LEU HDx% A 50 ARG HGx 1.0 . 3.38 1236 909 A 51 ASN H A 50 ARG HDx 1.0 . 4.53 1237 909 A 50 ARG HDy A 51 ASN H 1.0 . 4.53 1238 910 A 51 ASN H A 50 ARG HE 1.0 . 4.71 1239 911 A 51 ASN HBx A 50 ARG HE 1.0 . 4.39 1240 912 A 51 ASN HBy A 50 ARG HE 1.0 . 4.78 1241 913 A 50 ARG HE A 53 LEU HDy% 1.0 . 5.44 1242 913 A 53 LEU HDx% A 50 ARG HE 1.0 . 5.44 1243 914 A 51 ASN H A 51 ASN HBx 1.0 . 3.44 1244 915 A 51 ASN H A 51 ASN HBy 1.0 . 3.29 1245 916 A 51 ASN H A 52 LEU H 1.0 . 3.29 1246 917 A 51 ASN H A 52 LEU H 1.0 . 3.50 1247 918 A 51 ASN H A 52 LEU H 1.0 . 3.50 1248 919 A 54 LEU HDx% A 51 ASN H 1.0 . 4.94 1249 920 A 52 LEU H A 51 ASN HA 1.0 . 4.00 1250 921 A 53 LEU H A 51 ASN HA 1.0 . 4.45 1251 922 A 53 LEU H A 51 ASN HA 1.0 . 5.00 1252 923 A 54 LEU H A 51 ASN HA 1.0 . 3.93 1253 924 A 54 LEU H A 51 ASN HA 1.0 . 3.80 1254 925 A 54 LEU HBy A 51 ASN HA 1.0 . 4.14 1255 926 A 51 ASN HA A 54 LEU HBx 1.0 . 5.50 1256 927 A 54 LEU HG A 51 ASN HA 1.0 . 4.66 1257 928 A 54 LEU HDx% A 51 ASN HA 1.0 . 3.59 1258 929 A 51 ASN HA A 55 HIS H 1.0 . 4.62 1259 930 A 51 ASN HA A 55 HIS H 1.0 . 4.50 1260 931 A 51 ASN HBx A 52 LEU H 1.0 . 4.01 1261 932 A 51 ASN HBy A 52 LEU H 1.0 . 3.68 1262 933 A 51 ASN HBy A 52 LEU HA 1.0 . 5.22 1263 934 A 51 ASN HBy A 52 LEU HBx 1.0 . 4.40 1264 935 A 52 LEU H A 52 LEU HBx 1.0 . 3.18 1265 936 A 52 LEU H A 52 LEU HBy 1.0 . 3.25 1266 937 A 52 LEU H A 52 LEU HG 1.0 . 4.62 1267 938 A 52 LEU H A 52 LEU HDx% 1.0 . 4.39 1268 939 A 52 LEU H A 52 LEU HDy% 1.0 . 4.39 1269 940 A 53 LEU H A 52 LEU H 1.0 . 3.50 1270 941 A 53 LEU H A 52 LEU H 1.0 . 3.50 1271 942 A 53 LEU H A 52 LEU H 1.0 . 3.54 1272 943 A 52 LEU H A 53 LEU HDy% 1.0 . 4.55 1273 943 A 53 LEU HDx% A 52 LEU H 1.0 . 4.55 1274 944 A 54 LEU H A 52 LEU H 1.0 . 4.68 1275 945 A 52 LEU H A 55 HIS H 1.0 . 5.08 1276 946 A 52 LEU HA A 52 LEU HG 1.0 . 3.75 1277 947 A 52 LEU HDx% A 52 LEU HA 1.0 . 3.92 1278 948 A 52 LEU HA A 52 LEU HDy% 1.0 . 3.92 1279 949 A 52 LEU HA A 52 LEU HDy% 1.0 . 3.36 1280 949 A 52 LEU HDx% A 52 LEU HA 1.0 . 3.36 1281 950 A 53 LEU H A 52 LEU HA 1.0 . 3.50 1282 951 A 52 LEU HA A 53 LEU HDy% 1.0 . 5.44 1283 951 A 53 LEU HDx% A 52 LEU HA 1.0 . 5.44 1284 952 A 54 LEU H A 52 LEU HA 1.0 . 4.50 1285 953 A 55 HIS H A 52 LEU HA 1.0 . 4.04 1286 954 A 52 LEU HA A 55 HIS HBy 1.0 . 4.06 1287 955 A 52 LEU HA A 55 HIS HBx 1.0 . 4.06 1288 956 A 52 LEU HA A 55 HIS HBy 1.0 . 3.53 1289 956 A 52 LEU HA A 55 HIS HBx 1.0 . 3.53 1290 957 A 52 LEU HA A 56 LYS H 1.0 . 4.43 1291 958 A 52 LEU HBx A 52 LEU HDx% 1.0 . 3.91 1292 959 A 52 LEU HBx A 52 LEU HDy% 1.0 . 3.91 1293 960 A 53 LEU H A 52 LEU HBx 1.0 . 4.45 1294 961 A 53 LEU HA A 52 LEU HBx 1.0 . 5.50 1295 962 A 52 LEU HBx A 53 LEU HDy% 1.0 . 5.44 1296 962 A 53 LEU HDx% A 52 LEU HBx 1.0 . 5.44 1297 963 A 52 LEU HBy A 52 LEU HDx% 1.0 . 3.81 1298 964 A 52 LEU HBy A 52 LEU HDy% 1.0 . 3.81 1299 965 A 53 LEU H A 52 LEU HBy 1.0 . 3.58 1300 966 A 53 LEU HA A 52 LEU HBy 1.0 . 4.46 1301 967 A 52 LEU HG A 56 LYS HGy 1.0 . 4.13 1302 967 A 52 LEU HG A 56 LYS HGx 1.0 . 4.13 1303 968 A 53 LEU HA A 52 LEU HDx% 1.0 . 5.46 1304 969 A 53 LEU HA A 52 LEU HDy% 1.0 . 5.46 1305 970 A 53 LEU H A 52 LEU HDy% 1.0 . 4.89 1306 970 A 53 LEU H A 52 LEU HDx% 1.0 . 4.89 1307 971 A 52 LEU HDy% A 53 LEU HDy% 1.0 . 4.94 1308 971 A 52 LEU HDx% A 53 LEU HDy% 1.0 . 4.94 1309 971 A 53 LEU HDx% A 52 LEU HDy% 1.0 . 4.94 1310 971 A 53 LEU HDx% A 52 LEU HDx% 1.0 . 4.94 1311 972 A 52 LEU HDy% A 55 HIS HBy 1.0 . 5.12 1312 972 A 52 LEU HDx% A 55 HIS HBy 1.0 . 5.12 1313 972 A 55 HIS HBx A 52 LEU HDy% 1.0 . 5.12 1314 972 A 52 LEU HDx% A 55 HIS HBx 1.0 . 5.12 1315 973 A 52 LEU HDx% A 56 LYS HGy 1.0 . 3.33 1316 973 A 52 LEU HDy% A 56 LYS HGy 1.0 . 3.33 1317 973 A 56 LYS HGx A 52 LEU HDy% 1.0 . 3.33 1318 973 A 52 LEU HDx% A 56 LYS HGx 1.0 . 3.33 1319 974 A 53 LEU H A 53 LEU HBx 1.0 . 3.80 1320 975 A 53 LEU HBy A 53 LEU H 1.0 . 3.80 1321 976 A 53 LEU H A 53 LEU HBx 1.0 . 3.30 1322 976 A 53 LEU HBy A 53 LEU H 1.0 . 3.30 1323 977 A 53 LEU HG A 53 LEU H 1.0 . 4.50 1324 978 A 53 LEU HDx% A 53 LEU H 1.0 . 4.41 1325 979 A 53 LEU H A 53 LEU HDy% 1.0 . 4.41 1326 980 A 53 LEU H A 53 LEU HDy% 1.0 . 3.79 1327 980 A 53 LEU HDx% A 53 LEU H 1.0 . 3.79 1328 981 A 54 LEU H A 53 LEU H 1.0 . 3.50 1329 982 A 54 LEU H A 53 LEU H 1.0 . 3.50 1330 983 A 54 LEU H A 53 LEU H 1.0 . 3.58 1331 984 A 54 LEU HA A 53 LEU H 1.0 . 5.45 1332 985 A 53 LEU H A 55 HIS H 1.0 . 4.43 1333 986 A 53 LEU HG A 53 LEU HA 1.0 . 4.09 1334 987 A 53 LEU HA A 53 LEU HDy% 1.0 . 3.84 1335 987 A 53 LEU HDx% A 53 LEU HA 1.0 . 3.84 1336 988 A 53 LEU HA A 54 LEU H 1.0 . 4.00 1337 989 A 53 LEU HA A 54 LEU HA 1.0 . 4.96 1338 990 A 53 LEU HA A 55 HIS H 1.0 . 5.00 1339 991 A 53 LEU HA A 55 HIS H 1.0 . 5.05 1340 992 A 53 LEU HA A 56 LYS H 1.0 . 4.00 1341 993 A 53 LEU HA A 56 LYS H 1.0 . 4.27 1342 994 A 53 LEU HA A 56 LYS HBx 1.0 . 4.16 1343 995 A 53 LEU HA A 56 LYS HBy 1.0 . 5.50 1344 996 A 54 LEU H A 53 LEU HBx 1.0 . 4.03 1345 996 A 53 LEU HBy A 54 LEU H 1.0 . 4.03 1346 997 A 54 LEU HA A 53 LEU HBx 1.0 . 4.76 1347 997 A 53 LEU HBy A 54 LEU HA 1.0 . 4.76 1348 998 A 54 LEU H A 53 LEU HDy% 1.0 . 5.16 1349 998 A 53 LEU HDx% A 54 LEU H 1.0 . 5.16 1350 999 A 54 LEU H A 54 LEU HBy 1.0 . 3.35 1351 1000 A 54 LEU H A 54 LEU HBx 1.0 . 3.61 1352 1001 A 54 LEU H A 54 LEU HG 1.0 . 3.44 1353 1002 A 54 LEU H A 54 LEU HDx% 1.0 . 3.53 1354 1003 A 54 LEU H A 55 HIS H 1.0 . 3.50 1355 1004 A 54 LEU H A 55 HIS H 1.0 . 3.48 1356 1005 A 54 LEU H A 55 HIS HBy 1.0 . 5.22 1357 1006 A 54 LEU H A 55 HIS HBx 1.0 . 5.22 1358 1007 A 54 LEU H A 55 HIS HBy 1.0 . 4.46 1359 1007 A 54 LEU H A 55 HIS HBx 1.0 . 4.46 1360 1008 A 54 LEU H A 57 GLY H 1.0 . 4.98 1361 1009 A 54 LEU HG A 54 LEU HA 1.0 . 3.49 1362 1010 A 54 LEU HA A 54 LEU HDy% 1.0 . 3.05 1363 1011 A 54 LEU HA A 55 HIS H 1.0 . 4.00 1364 1012 A 54 LEU HA A 56 LYS H 1.0 . 5.00 1365 1013 A 54 LEU HA A 56 LYS H 1.0 . 4.82 1366 1014 A 57 GLY H A 54 LEU HA 1.0 . 4.20 1367 1015 A 57 GLY H A 54 LEU HA 1.0 . 4.22 1368 1016 A 58 LYS H A 54 LEU HA 1.0 . 4.50 1369 1017 A 54 LEU HDx% A 54 LEU HBy 1.0 . 3.29 1370 1018 A 54 LEU HBy A 54 LEU HDy% 1.0 . 3.58 1371 1019 A 54 LEU HBy A 55 HIS H 1.0 . 3.65 1372 1020 A 54 LEU HBy A 55 HIS HA 1.0 . 4.67 1373 1021 A 54 LEU HDx% A 54 LEU HBx 1.0 . 3.71 1374 1022 A 54 LEU HBx A 54 LEU HDy% 1.0 . 3.32 1375 1023 A 54 LEU HBx A 55 HIS H 1.0 . 3.87 1376 1024 A 54 LEU HG A 55 HIS H 1.0 . 4.55 1377 1025 A 54 LEU HDx% A 55 HIS H 1.0 . 4.32 1378 1026 A 55 HIS H A 55 HIS HBy 1.0 . 3.30 1379 1027 A 55 HIS H A 55 HIS HBx 1.0 . 3.30 1380 1028 A 55 HIS H A 55 HIS HD2 1.0 . 5.19 1381 1029 A 55 HIS H A 56 LYS H 1.0 . 3.50 1382 1030 A 55 HIS H A 56 LYS H 1.0 . 3.50 1383 1031 A 57 GLY H A 55 HIS H 1.0 . 4.55 1384 1032 A 58 LYS H A 55 HIS H 1.0 . 5.12 1385 1033 A 56 LYS H A 55 HIS HA 1.0 . 4.50 1386 1034 A 57 GLY H A 55 HIS HA 1.0 . 5.00 1387 1035 A 57 GLY H A 55 HIS HA 1.0 . 4.76 1388 1036 A 58 LYS H A 55 HIS HA 1.0 . 4.00 1389 1037 A 58 LYS H A 55 HIS HA 1.0 . 4.15 1390 1038 A 55 HIS HA A 58 LYS HBy 1.0 . 4.44 1391 1038 A 55 HIS HA A 58 LYS HBx 1.0 . 4.44 1392 1039 A 55 HIS HA A 58 LYS HDx 1.0 . 4.21 1393 1039 A 55 HIS HA A 58 LYS HDy 1.0 . 4.21 1394 1040 A 55 HIS HA A 59 GLU H 1.0 . 5.00 1395 1041 A 55 HIS HA A 59 GLU H 1.0 . 5.08 1396 1042 A 56 LYS H A 55 HIS HBy 1.0 . 4.01 1397 1043 A 55 HIS HBx A 56 LYS H 1.0 . 4.01 1398 1044 A 56 LYS H A 55 HIS HBy 1.0 . 3.49 1399 1044 A 55 HIS HBx A 56 LYS H 1.0 . 3.49 1400 1045 A 56 LYS H A 56 LYS HBx 1.0 . 3.97 1401 1046 A 56 LYS H A 56 LYS HGy 1.0 . 3.44 1402 1046 A 56 LYS H A 56 LYS HGx 1.0 . 3.44 1403 1047 A 57 GLY H A 56 LYS H 1.0 . 3.50 1404 1048 A 57 GLY H A 56 LYS H 1.0 . 3.76 1405 1049 A 56 LYS H A 59 GLU HBy 1.0 . 4.93 1406 1049 A 56 LYS H A 59 GLU HBx 1.0 . 4.93 1407 1050 A 57 GLY H A 56 LYS HA 1.0 . 4.50 1408 1051 A 58 LYS H A 56 LYS HA 1.0 . 5.00 1409 1052 A 58 LYS H A 56 LYS HA 1.0 . 5.00 1410 1053 A 56 LYS HA A 58 LYS HDx 1.0 . 4.47 1411 1053 A 58 LYS HDy A 56 LYS HA 1.0 . 4.47 1412 1054 A 59 GLU H A 56 LYS HA 1.0 . 4.18 1413 1055 A 59 GLU H A 56 LYS HA 1.0 . 4.20 1414 1056 A 56 LYS HA A 59 GLU HBy 1.0 . 4.12 1415 1057 A 59 GLU HBx A 56 LYS HA 1.0 . 4.12 1416 1058 A 56 LYS HA A 59 GLU HBy 1.0 . 3.57 1417 1058 A 59 GLU HBx A 56 LYS HA 1.0 . 3.57 1418 1059 A 56 LYS HA A 59 GLU HGy 1.0 . 4.60 1419 1060 A 56 LYS HA A 59 GLU HGx 1.0 . 4.60 1420 1061 A 56 LYS HA A 60 VAL H 1.0 . 5.00 1421 1062 A 56 LYS HA A 60 VAL H 1.0 . 4.16 1422 1063 A 57 GLY H A 56 LYS HBx 1.0 . 4.27 1423 1064 A 57 GLY H A 56 LYS HBy 1.0 . 4.12 1424 1065 A 56 LYS HBy A 60 VAL H 1.0 . 4.96 1425 1066 A 57 GLY H A 58 LYS H 1.0 . 3.50 1426 1067 A 57 GLY H A 58 LYS H 1.0 . 3.71 1427 1068 A 57 GLY H A 58 LYS HDx 1.0 . 5.00 1428 1068 A 57 GLY H A 58 LYS HDy 1.0 . 5.00 1429 1069 A 57 GLY H A 60 VAL H 1.0 . 4.98 1430 1070 A 57 GLY H A 60 VAL HGy% 1.0 . 4.42 1431 1070 A 60 VAL HGx% A 57 GLY H 1.0 . 4.42 1432 1071 A 58 LYS H A 57 GLY HAy 1.0 . 3.50 1433 1071 A 57 GLY HAx A 58 LYS H 1.0 . 3.50 1434 1072 A 57 GLY HAy A 58 LYS HDx 1.0 . 5.22 1435 1072 A 57 GLY HAx A 58 LYS HDx 1.0 . 5.22 1436 1072 A 58 LYS HDy A 57 GLY HAy 1.0 . 5.22 1437 1072 A 57 GLY HAx A 58 LYS HDy 1.0 . 5.22 1438 1073 A 59 GLU H A 57 GLY HAy 1.0 . 5.08 1439 1073 A 57 GLY HAx A 59 GLU H 1.0 . 5.08 1440 1074 A 57 GLY HAx A 60 VAL HGy% 1.0 . 3.83 1441 1074 A 57 GLY HAy A 60 VAL HGy% 1.0 . 3.83 1442 1074 A 60 VAL HGx% A 57 GLY HAy 1.0 . 3.83 1443 1074 A 60 VAL HGx% A 57 GLY HAx 1.0 . 3.83 1444 1075 A 61 LEU H A 57 GLY HAy 1.0 . 5.00 1445 1075 A 57 GLY HAx A 61 LEU H 1.0 . 5.00 1446 1076 A 61 LEU H A 57 GLY HAy 1.0 . 4.43 1447 1076 A 57 GLY HAx A 61 LEU H 1.0 . 4.43 1448 1077 A 57 GLY HAx A 61 LEU HDy% 1.0 . 4.43 1449 1077 A 57 GLY HAy A 61 LEU HDy% 1.0 . 4.43 1450 1077 A 61 LEU HDx% A 57 GLY HAy 1.0 . 4.43 1451 1077 A 61 LEU HDx% A 57 GLY HAx 1.0 . 4.43 1452 1078 A 58 LYS H A 58 LYS HBy 1.0 . 3.50 1453 1078 A 58 LYS H A 58 LYS HBx 1.0 . 3.50 1454 1079 A 58 LYS H A 58 LYS HGy 1.0 . 4.29 1455 1079 A 58 LYS H A 58 LYS HGx 1.0 . 4.29 1456 1080 A 58 LYS H A 58 LYS HDx 1.0 . 4.14 1457 1080 A 58 LYS H A 58 LYS HDy 1.0 . 4.14 1458 1081 A 58 LYS H A 59 GLU HBy 1.0 . 4.84 1459 1081 A 58 LYS H A 59 GLU HBx 1.0 . 4.84 1460 1082 A 58 LYS H A 60 VAL H 1.0 . 5.03 1461 1083 A 58 LYS H A 60 VAL HGy% 1.0 . 4.55 1462 1083 A 60 VAL HGx% A 58 LYS H 1.0 . 4.55 1463 1084 A 58 LYS H A 61 LEU H 1.0 . 5.50 1464 1085 A 58 LYS HA A 58 LYS HGy 1.0 . 3.94 1465 1085 A 58 LYS HGx A 58 LYS HA 1.0 . 3.94 1466 1086 A 58 LYS HA A 58 LYS HDx 1.0 . 4.09 1467 1086 A 58 LYS HDy A 58 LYS HA 1.0 . 4.09 1468 1087 A 59 GLU H A 58 LYS HA 1.0 . 3.50 1469 1088 A 58 LYS HA A 60 VAL HGy% 1.0 . 4.76 1470 1088 A 60 VAL HGx% A 58 LYS HA 1.0 . 4.76 1471 1089 A 61 LEU H A 58 LYS HA 1.0 . 4.00 1472 1090 A 61 LEU H A 58 LYS HA 1.0 . 4.35 1473 1091 A 58 LYS HA A 61 LEU HBy 1.0 . 4.17 1474 1091 A 58 LYS HA A 61 LEU HBx 1.0 . 4.17 1475 1092 A 58 LYS HA A 61 LEU HDy% 1.0 . 4.25 1476 1092 A 61 LEU HDx% A 58 LYS HA 1.0 . 4.25 1477 1093 A 58 LYS HA A 62 GLU H 1.0 . 4.58 1478 1094 A 59 GLU H A 58 LYS HBy 1.0 . 3.88 1479 1094 A 58 LYS HBx A 59 GLU H 1.0 . 3.88 1480 1095 A 58 LYS HBx A 60 VAL HGy% 1.0 . 5.44 1481 1095 A 60 VAL HGx% A 58 LYS HBy 1.0 . 5.44 1482 1095 A 60 VAL HGx% A 58 LYS HBx 1.0 . 5.44 1483 1095 A 58 LYS HBy A 60 VAL HGy% 1.0 . 5.44 1484 1096 A 59 GLU H A 58 LYS HGy 1.0 . 5.47 1485 1096 A 59 GLU H A 58 LYS HGx 1.0 . 5.47 1486 1097 A 59 GLU H A 58 LYS HDx 1.0 . 4.41 1487 1097 A 58 LYS HDy A 59 GLU H 1.0 . 4.41 1488 1098 A 59 GLU HA A 58 LYS HDx 1.0 . 4.42 1489 1098 A 58 LYS HDy A 59 GLU HA 1.0 . 4.42 1490 1099 A 59 GLU H A 59 GLU HBy 1.0 . 3.65 1491 1100 A 59 GLU H A 59 GLU HBx 1.0 . 3.65 1492 1101 A 59 GLU H A 59 GLU HBy 1.0 . 3.14 1493 1101 A 59 GLU H A 59 GLU HBx 1.0 . 3.14 1494 1102 A 59 GLU H A 59 GLU HGy 1.0 . 4.80 1495 1103 A 59 GLU H A 59 GLU HGx 1.0 . 4.80 1496 1104 A 59 GLU H A 59 GLU HGx 1.0 . 4.05 1497 1104 A 59 GLU H A 59 GLU HGy 1.0 . 4.05 1498 1105 A 59 GLU H A 60 VAL H 1.0 . 3.74 1499 1106 A 59 GLU H A 60 VAL H 1.0 . 3.50 1500 1107 A 59 GLU H A 60 VAL HGy% 1.0 . 4.38 1501 1107 A 60 VAL HGx% A 59 GLU H 1.0 . 4.38 1502 1108 A 59 GLU H A 61 LEU H 1.0 . 4.31 1503 1109 A 59 GLU HA A 59 GLU HGy 1.0 . 3.93 1504 1110 A 59 GLU HA A 59 GLU HGx 1.0 . 3.93 1505 1111 A 59 GLU HA A 59 GLU HGx 1.0 . 3.42 1506 1111 A 59 GLU HA A 59 GLU HGy 1.0 . 3.42 1507 1112 A 60 VAL H A 59 GLU HA 1.0 . 3.80 1508 1113 A 59 GLU HA A 60 VAL HA 1.0 . 5.03 1509 1114 A 61 LEU H A 59 GLU HA 1.0 . 4.42 1510 1115 A 61 LEU H A 59 GLU HA 1.0 . 4.00 1511 1116 A 60 VAL H A 59 GLU HBy 1.0 . 4.04 1512 1117 A 61 LEU H A 59 GLU HBy 1.0 . 5.50 1513 1118 A 59 GLU HBx A 60 VAL H 1.0 . 4.04 1514 1119 A 59 GLU HBx A 61 LEU H 1.0 . 5.50 1515 1120 A 60 VAL H A 59 GLU HBy 1.0 . 3.51 1516 1120 A 59 GLU HBx A 60 VAL H 1.0 . 3.51 1517 1121 A 60 VAL HA A 59 GLU HBy 1.0 . 4.89 1518 1121 A 59 GLU HBx A 60 VAL HA 1.0 . 4.89 1519 1122 A 61 LEU H A 59 GLU HBy 1.0 . 4.73 1520 1122 A 59 GLU HBx A 61 LEU H 1.0 . 4.73 1521 1123 A 60 VAL H A 59 GLU HGx 1.0 . 4.61 1522 1123 A 60 VAL H A 59 GLU HGy 1.0 . 4.61 1523 1124 A 60 VAL H A 60 VAL HB 1.0 . 3.90 1524 1125 A 60 VAL HGx% A 60 VAL H 1.0 . 3.90 1525 1126 A 60 VAL H A 60 VAL HGy% 1.0 . 3.90 1526 1127 A 60 VAL H A 60 VAL HGy% 1.0 . 3.19 1527 1127 A 60 VAL HGx% A 60 VAL H 1.0 . 3.19 1528 1128 A 60 VAL H A 61 LEU H 1.0 . 3.72 1529 1129 A 60 VAL H A 61 LEU H 1.0 . 3.50 1530 1130 A 60 VAL H A 61 LEU HA 1.0 . 5.50 1531 1131 A 60 VAL H A 61 LEU HDy% 1.0 . 4.80 1532 1131 A 61 LEU HDx% A 60 VAL H 1.0 . 4.80 1533 1132 A 60 VAL H A 63 TRP H 1.0 . 4.82 1534 1133 A 60 VAL HGx% A 60 VAL HA 1.0 . 4.13 1535 1134 A 60 VAL HA A 60 VAL HGy% 1.0 . 4.13 1536 1135 A 61 LEU H A 60 VAL HA 1.0 . 3.50 1537 1136 A 62 GLU H A 60 VAL HA 1.0 . 4.80 1538 1137 A 62 GLU H A 60 VAL HA 1.0 . 5.06 1539 1138 A 60 VAL HA A 63 TRP H 1.0 . 3.50 1540 1139 A 60 VAL HA A 63 TRP H 1.0 . 3.85 1541 1140 A 60 VAL HA A 63 TRP HA 1.0 . 5.37 1542 1141 A 60 VAL HA A 63 TRP HBx 1.0 . 4.24 1543 1142 A 60 VAL HA A 63 TRP HBy 1.0 . 4.24 1544 1143 A 60 VAL HA A 63 TRP HBy 1.0 . 3.72 1545 1143 A 60 VAL HA A 63 TRP HBx 1.0 . 3.72 1546 1144 A 64 ALA H A 60 VAL HA 1.0 . 4.50 1547 1145 A 64 ALA H A 60 VAL HA 1.0 . 4.33 1548 1146 A 64 ALA HB% A 60 VAL HA 1.0 . 4.75 1549 1147 A 61 LEU H A 60 VAL HB 1.0 . 4.79 1550 1148 A 60 VAL HB A 63 TRP H 1.0 . 5.50 1551 1149 A 64 ALA H A 60 VAL HB 1.0 . 5.50 1552 1150 A 60 VAL HGx% A 61 LEU H 1.0 . 4.73 1553 1151 A 61 LEU H A 60 VAL HGy% 1.0 . 4.73 1554 1152 A 61 LEU H A 60 VAL HGy% 1.0 . 3.31 1555 1152 A 60 VAL HGx% A 61 LEU H 1.0 . 3.31 1556 1153 A 60 VAL HGy% A 61 LEU HBy 1.0 . 4.58 1557 1153 A 60 VAL HGx% A 61 LEU HBy 1.0 . 4.58 1558 1153 A 61 LEU HBx A 60 VAL HGy% 1.0 . 4.58 1559 1153 A 60 VAL HGx% A 61 LEU HBx 1.0 . 4.58 1560 1154 A 62 GLU H A 60 VAL HGy% 1.0 . 4.76 1561 1154 A 60 VAL HGx% A 62 GLU H 1.0 . 4.76 1562 1155 A 63 TRP H A 60 VAL HGy% 1.0 . 5.34 1563 1155 A 60 VAL HGx% A 63 TRP H 1.0 . 5.34 1564 1156 A 64 ALA H A 60 VAL HGy% 1.0 . 5.44 1565 1156 A 60 VAL HGx% A 64 ALA H 1.0 . 5.44 1566 1157 A 64 ALA HB% A 60 VAL HGy% 1.0 . 5.26 1567 1157 A 60 VAL HGx% A 64 ALA HB% 1.0 . 5.26 1568 1158 A 61 LEU H A 61 LEU HBy 1.0 . 3.86 1569 1159 A 61 LEU H A 61 LEU HBx 1.0 . 3.86 1570 1160 A 61 LEU H A 61 LEU HBy 1.0 . 3.15 1571 1160 A 61 LEU H A 61 LEU HBx 1.0 . 3.15 1572 1161 A 61 LEU HG A 61 LEU H 1.0 . 4.09 1573 1162 A 61 LEU H A 61 LEU HDy% 1.0 . 4.06 1574 1162 A 61 LEU HDx% A 61 LEU H 1.0 . 4.06 1575 1163 A 61 LEU H A 62 GLU H 1.0 . 3.84 1576 1164 A 61 LEU H A 62 GLU HBy 1.0 . 5.34 1577 1164 A 61 LEU H A 62 GLU HBx 1.0 . 5.34 1578 1165 A 61 LEU H A 62 GLU HGx 1.0 . 5.34 1579 1165 A 61 LEU H A 62 GLU HGy 1.0 . 5.34 1580 1166 A 61 LEU H A 63 TRP H 1.0 . 4.40 1581 1167 A 64 ALA H A 61 LEU H 1.0 . 5.46 1582 1168 A 64 ALA HB% A 61 LEU H 1.0 . 5.17 1583 1169 A 61 LEU HG A 61 LEU HA 1.0 . 3.73 1584 1170 A 61 LEU HDx% A 61 LEU HA 1.0 . 4.15 1585 1171 A 61 LEU HA A 61 LEU HDy% 1.0 . 4.15 1586 1172 A 61 LEU HA A 61 LEU HDy% 1.0 . 3.03 1587 1172 A 61 LEU HDx% A 61 LEU HA 1.0 . 3.03 1588 1173 A 62 GLU H A 61 LEU HA 1.0 . 4.50 1589 1174 A 64 ALA H A 61 LEU HA 1.0 . 4.50 1590 1175 A 64 ALA H A 61 LEU HA 1.0 . 4.37 1591 1176 A 64 ALA HB% A 61 LEU HA 1.0 . 3.76 1592 1177 A 61 LEU HA A 65 GLU HGy 1.0 . 5.34 1593 1177 A 65 GLU HGx A 61 LEU HA 1.0 . 5.34 1594 1178 A 62 GLU H A 61 LEU HBy 1.0 . 4.27 1595 1179 A 61 LEU HBx A 62 GLU H 1.0 . 4.27 1596 1180 A 61 LEU HBx A 61 LEU HDy% 1.0 . 2.79 1597 1180 A 61 LEU HBy A 61 LEU HDy% 1.0 . 2.79 1598 1180 A 61 LEU HDx% A 61 LEU HBy 1.0 . 2.79 1599 1180 A 61 LEU HDx% A 61 LEU HBx 1.0 . 2.79 1600 1181 A 62 GLU H A 61 LEU HBy 1.0 . 3.50 1601 1181 A 61 LEU HBx A 62 GLU H 1.0 . 3.50 1602 1182 A 62 GLU H A 61 LEU HDy% 1.0 . 5.23 1603 1182 A 61 LEU HDx% A 62 GLU H 1.0 . 5.23 1604 1183 A 64 ALA HB% A 61 LEU HDy% 1.0 . 4.26 1605 1183 A 61 LEU HDx% A 64 ALA HB% 1.0 . 4.26 1606 1184 A 62 GLU H A 62 GLU HBy 1.0 . 3.35 1607 1184 A 62 GLU H A 62 GLU HBx 1.0 . 3.35 1608 1185 A 62 GLU H A 62 GLU HGy 1.0 . 4.20 1609 1186 A 62 GLU H A 62 GLU HGx 1.0 . 4.20 1610 1187 A 62 GLU H A 62 GLU HGx 1.0 . 3.53 1611 1187 A 62 GLU H A 62 GLU HGy 1.0 . 3.53 1612 1188 A 62 GLU H A 63 TRP H 1.0 . 4.00 1613 1189 A 62 GLU H A 63 TRP H 1.0 . 3.50 1614 1190 A 62 GLU H A 63 TRP H 1.0 . 3.74 1615 1191 A 62 GLU H A 63 TRP HA 1.0 . 5.23 1616 1192 A 64 ALA HB% A 62 GLU H 1.0 . 5.43 1617 1193 A 65 GLU H A 62 GLU H 1.0 . 5.22 1618 1194 A 62 GLU HGy A 62 GLU HA 1.0 . 4.20 1619 1195 A 62 GLU HA A 62 GLU HGx 1.0 . 4.20 1620 1196 A 62 GLU HA A 62 GLU HGx 1.0 . 3.61 1621 1196 A 62 GLU HGy A 62 GLU HA 1.0 . 3.61 1622 1197 A 65 GLU H A 62 GLU HA 1.0 . 4.05 1623 1198 A 62 GLU HA A 65 GLU HBx 1.0 . 3.85 1624 1199 A 62 GLU HA A 65 GLU HGy 1.0 . 5.34 1625 1199 A 65 GLU HGx A 62 GLU HA 1.0 . 5.34 1626 1200 A 63 TRP H A 62 GLU HBy 1.0 . 4.03 1627 1201 A 63 TRP H A 62 GLU HBx 1.0 . 4.03 1628 1202 A 63 TRP H A 62 GLU HBy 1.0 . 3.48 1629 1202 A 63 TRP H A 62 GLU HBx 1.0 . 3.48 1630 1203 A 63 TRP HA A 62 GLU HBy 1.0 . 4.37 1631 1203 A 63 TRP HA A 62 GLU HBx 1.0 . 4.37 1632 1204 A 63 TRP H A 62 GLU HGy 1.0 . 5.28 1633 1205 A 63 TRP H A 62 GLU HGx 1.0 . 5.28 1634 1206 A 63 TRP H A 62 GLU HGx 1.0 . 4.52 1635 1206 A 63 TRP H A 62 GLU HGy 1.0 . 4.52 1636 1207 A 63 TRP H A 63 TRP HBx 1.0 . 3.60 1637 1208 A 63 TRP H A 63 TRP HBy 1.0 . 3.60 1638 1209 A 64 ALA H A 63 TRP H 1.0 . 3.71 1639 1210 A 64 ALA H A 63 TRP H 1.0 . 3.50 1640 1211 A 64 ALA H A 63 TRP H 1.0 . 3.50 1641 1212 A 64 ALA HB% A 63 TRP H 1.0 . 4.26 1642 1213 A 65 GLU H A 63 TRP H 1.0 . 4.63 1643 1214 A 64 ALA H A 63 TRP HA 1.0 . 4.00 1644 1215 A 64 ALA HA A 63 TRP HA 1.0 . 5.10 1645 1216 A 65 GLU H A 63 TRP HA 1.0 . 4.00 1646 1217 A 66 HIS H A 63 TRP HA 1.0 . 3.71 1647 1218 A 66 HIS H A 63 TRP HA 1.0 . 3.50 1648 1219 A 63 TRP HA A 66 HIS HBy 1.0 . 4.09 1649 1219 A 63 TRP HA A 66 HIS HBx 1.0 . 4.09 1650 1220 A 63 TRP HA A 66 HIS HD2 1.0 . 4.56 1651 1221 A 64 ALA H A 63 TRP HBx 1.0 . 4.17 1652 1222 A 64 ALA H A 63 TRP HBy 1.0 . 4.17 1653 1223 A 64 ALA HB% A 63 TRP HBy 1.0 . 4.62 1654 1223 A 64 ALA HB% A 63 TRP HBx 1.0 . 4.62 1655 1224 A 64 ALA HB% A 64 ALA H 1.0 . 3.18 1656 1225 A 64 ALA H A 65 GLU H 1.0 . 3.87 1657 1226 A 64 ALA H A 65 GLU HBx 1.0 . 5.07 1658 1227 A 64 ALA H A 65 GLU HGy 1.0 . 5.28 1659 1227 A 64 ALA H A 65 GLU HGx 1.0 . 5.28 1660 1228 A 64 ALA H A 66 HIS H 1.0 . 4.73 1661 1229 A 64 ALA H A 66 HIS HBy 1.0 . 4.78 1662 1229 A 64 ALA H A 66 HIS HBx 1.0 . 4.78 1663 1230 A 64 ALA HA A 65 GLU H 1.0 . 4.50 1664 1231 A 64 ALA HA A 67 LEU H 1.0 . 4.28 1665 1232 A 64 ALA HA A 67 LEU HBx 1.0 . 4.98 1666 1233 A 64 ALA HA A 67 LEU HDx% 1.0 . 6.02 1667 1234 A 64 ALA HA A 67 LEU HDy% 1.0 . 6.02 1668 1235 A 64 ALA HA A 68 ALA H 1.0 . 4.72 1669 1236 A 64 ALA HB% A 65 GLU H 1.0 . 3.86 1670 1237 A 64 ALA HB% A 65 GLU HGx 1.0 . 4.29 1671 1238 A 64 ALA HB% A 65 GLU HGy 1.0 . 4.29 1672 1239 A 64 ALA HB% A 65 GLU HGy 1.0 . 3.53 1673 1239 A 64 ALA HB% A 65 GLU HGx 1.0 . 3.53 1674 1240 A 64 ALA HB% A 66 HIS H 1.0 . 4.60 1675 1241 A 65 GLU H A 65 GLU HBx 1.0 . 3.62 1676 1242 A 65 GLU H A 65 GLU HGy 1.0 . 3.50 1677 1242 A 65 GLU H A 65 GLU HGx 1.0 . 3.50 1678 1243 A 65 GLU H A 66 HIS H 1.0 . 3.67 1679 1244 A 65 GLU H A 67 LEU H 1.0 . 4.80 1680 1245 A 65 GLU H A 68 ALA HB% 1.0 . 4.41 1681 1246 A 65 GLU HA A 65 GLU HGx 1.0 . 4.18 1682 1247 A 65 GLU HA A 65 GLU HGy 1.0 . 4.18 1683 1248 A 65 GLU HA A 65 GLU HGy 1.0 . 3.37 1684 1248 A 65 GLU HA A 65 GLU HGx 1.0 . 3.37 1685 1249 A 65 GLU HA A 67 LEU HDx% 1.0 . 6.00 1686 1250 A 65 GLU HA A 67 LEU HDy% 1.0 . 6.00 1687 1251 A 65 GLU HA A 68 ALA H 1.0 . 4.33 1688 1252 A 65 GLU HA A 68 ALA HB% 1.0 . 3.55 1689 1253 A 65 GLU HA A 69 GLU H 1.0 . 4.48 1690 1254 A 66 HIS H A 65 GLU HBx 1.0 . 3.68 1691 1255 A 66 HIS H A 65 GLU HBy 1.0 . 4.03 1692 1256 A 65 GLU HBy A 66 HIS HA 1.0 . 5.03 1693 1257 A 68 ALA HB% A 65 GLU HBy 1.0 . 4.07 1694 1258 A 69 GLU H A 65 GLU HBy 1.0 . 4.95 1695 1259 A 66 HIS H A 66 HIS HBy 1.0 . 3.17 1696 1259 A 66 HIS H A 66 HIS HBx 1.0 . 3.17 1697 1260 A 66 HIS H A 67 LEU H 1.0 . 3.54 1698 1261 A 66 HIS H A 67 LEU HBx 1.0 . 5.31 1699 1262 A 66 HIS H A 67 LEU HDy% 1.0 . 4.32 1700 1262 A 67 LEU HDx% A 66 HIS H 1.0 . 4.32 1701 1263 A 66 HIS H A 68 ALA H 1.0 . 4.68 1702 1264 A 68 ALA HB% A 66 HIS H 1.0 . 4.74 1703 1265 A 69 GLU H A 66 HIS HA 1.0 . 4.07 1704 1266 A 66 HIS HA A 69 GLU HBy 1.0 . 4.04 1705 1267 A 66 HIS HA A 69 GLU HBx 1.0 . 5.50 1706 1268 A 66 HIS HA A 69 GLU HGy 1.0 . 5.09 1707 1269 A 66 HIS HA A 69 GLU HGx 1.0 . 4.57 1708 1270 A 66 HIS HA A 70 TRP H 1.0 . 5.11 1709 1271 A 67 LEU H A 66 HIS HBy 1.0 . 3.74 1710 1271 A 67 LEU H A 66 HIS HBx 1.0 . 3.74 1711 1272 A 67 LEU HA A 66 HIS HBy 1.0 . 4.45 1712 1272 A 66 HIS HBx A 67 LEU HA 1.0 . 4.45 1713 1273 A 66 HIS HBy A 67 LEU HDy% 1.0 . 5.33 1714 1273 A 66 HIS HBx A 67 LEU HDy% 1.0 . 5.33 1715 1273 A 67 LEU HDx% A 66 HIS HBy 1.0 . 5.33 1716 1273 A 67 LEU HDx% A 66 HIS HBx 1.0 . 5.33 1717 1274 A 67 LEU H A 67 LEU HBy 1.0 . 3.69 1718 1275 A 67 LEU H A 67 LEU HBx 1.0 . 3.62 1719 1276 A 67 LEU HG A 67 LEU H 1.0 . 4.07 1720 1277 A 67 LEU HDx% A 67 LEU H 1.0 . 4.33 1721 1278 A 67 LEU H A 67 LEU HDy% 1.0 . 4.33 1722 1279 A 67 LEU H A 67 LEU HDy% 1.0 . 3.76 1723 1279 A 67 LEU HDx% A 67 LEU H 1.0 . 3.76 1724 1280 A 67 LEU H A 68 ALA H 1.0 . 3.64 1725 1281 A 68 ALA HA A 67 LEU H 1.0 . 5.20 1726 1282 A 68 ALA HB% A 67 LEU H 1.0 . 4.37 1727 1283 A 67 LEU H A 69 GLU HBy 1.0 . 5.45 1728 1284 A 67 LEU H A 70 TRP HBy 1.0 . 5.34 1729 1284 A 67 LEU H A 70 TRP HBx 1.0 . 5.34 1730 1285 A 67 LEU HDx% A 67 LEU HA 1.0 . 4.11 1731 1286 A 67 LEU HA A 67 LEU HDy% 1.0 . 4.11 1732 1287 A 67 LEU HA A 67 LEU HDy% 1.0 . 3.25 1733 1287 A 67 LEU HDx% A 67 LEU HA 1.0 . 3.25 1734 1288 A 70 TRP H A 67 LEU HA 1.0 . 3.74 1735 1289 A 67 LEU HA A 70 TRP HBx 1.0 . 4.06 1736 1290 A 67 LEU HA A 70 TRP HBy 1.0 . 4.06 1737 1291 A 67 LEU HA A 71 ILE H 1.0 . 5.50 1738 1292 A 68 ALA H A 67 LEU HBy 1.0 . 4.98 1739 1293 A 70 TRP HBx A 67 LEU HBy 1.0 . 4.73 1740 1293 A 67 LEU HBy A 70 TRP HBy 1.0 . 4.73 1741 1294 A 67 LEU HBx A 68 ALA H 1.0 . 4.21 1742 1295 A 67 LEU HDx% A 68 ALA H 1.0 . 6.00 1743 1296 A 67 LEU HDx% A 68 ALA HA 1.0 . 6.00 1744 1297 A 68 ALA HB% A 67 LEU HDx% 1.0 . 4.25 1745 1298 A 68 ALA H A 67 LEU HDy% 1.0 . 6.00 1746 1299 A 68 ALA HA A 67 LEU HDy% 1.0 . 6.00 1747 1300 A 68 ALA HB% A 67 LEU HDy% 1.0 . 4.25 1748 1301 A 70 TRP H A 67 LEU HDy% 1.0 . 4.50 1749 1301 A 67 LEU HDx% A 70 TRP H 1.0 . 4.50 1750 1302 A 67 LEU HDy% A 70 TRP HBy 1.0 . 4.50 1751 1302 A 67 LEU HDx% A 70 TRP HBy 1.0 . 4.50 1752 1302 A 70 TRP HBx A 67 LEU HDy% 1.0 . 4.50 1753 1302 A 67 LEU HDx% A 70 TRP HBx 1.0 . 4.50 1754 1303 A 71 ILE H A 67 LEU HDy% 1.0 . 5.12 1755 1303 A 67 LEU HDx% A 71 ILE H 1.0 . 5.12 1756 1304 A 68 ALA HB% A 68 ALA H 1.0 . 3.05 1757 1305 A 69 GLU H A 68 ALA H 1.0 . 3.83 1758 1306 A 68 ALA H A 69 GLU HA 1.0 . 5.20 1759 1307 A 68 ALA H A 70 TRP H 1.0 . 5.11 1760 1308 A 68 ALA HA A 70 TRP H 1.0 . 4.96 1761 1309 A 68 ALA HA A 71 ILE H 1.0 . 4.51 1762 1310 A 68 ALA HA A 71 ILE HG2% 1.0 . 4.78 1763 1311 A 68 ALA HA A 71 ILE HD1% 1.0 . 4.62 1764 1312 A 68 ALA HB% A 69 GLU H 1.0 . 3.45 1765 1313 A 68 ALA HB% A 69 GLU HA 1.0 . 4.13 1766 1314 A 68 ALA HB% A 69 GLU HGy 1.0 . 4.02 1767 1315 A 68 ALA HB% A 69 GLU HGx 1.0 . 4.70 1768 1316 A 68 ALA HB% A 70 TRP H 1.0 . 4.48 1769 1317 A 68 ALA HB% A 71 ILE HD1% 1.0 . 4.19 1770 1318 A 69 GLU H A 69 GLU HBy 1.0 . 3.65 1771 1319 A 69 GLU H A 69 GLU HBx 1.0 . 3.56 1772 1320 A 69 GLU H A 69 GLU HGy 1.0 . 3.82 1773 1321 A 69 GLU H A 69 GLU HGx 1.0 . 3.62 1774 1322 A 69 GLU H A 70 TRP H 1.0 . 3.54 1775 1323 A 69 GLU H A 70 TRP HBy 1.0 . 4.63 1776 1323 A 69 GLU H A 70 TRP HBx 1.0 . 4.63 1777 1324 A 69 GLU H A 71 ILE H 1.0 . 4.77 1778 1325 A 72 LEU HDx% A 69 GLU H 1.0 . 5.46 1779 1326 A 69 GLU HGy A 69 GLU HA 1.0 . 3.49 1780 1327 A 69 GLU HGx A 69 GLU HA 1.0 . 3.76 1781 1328 A 71 ILE H A 69 GLU HA 1.0 . 4.31 1782 1329 A 71 ILE HG2% A 69 GLU HA 1.0 . 5.50 1783 1330 A 71 ILE HD1% A 69 GLU HA 1.0 . 3.72 1784 1331 A 69 GLU HA A 72 LEU H 1.0 . 4.08 1785 1332 A 72 LEU HDx% A 69 GLU HA 1.0 . 3.28 1786 1333 A 69 GLU HA A 73 GLU H 1.0 . 4.77 1787 1334 A 69 GLU HBy A 70 TRP H 1.0 . 3.92 1788 1335 A 72 LEU HDx% A 69 GLU HBy 1.0 . 3.90 1789 1336 A 69 GLU HBx A 70 TRP H 1.0 . 3.85 1790 1337 A 69 GLU HBx A 70 TRP HA 1.0 . 5.35 1791 1338 A 72 LEU HDx% A 69 GLU HBx 1.0 . 4.55 1792 1339 A 69 GLU HGy A 70 TRP H 1.0 . 4.93 1793 1340 A 72 LEU HDx% A 69 GLU HGy 1.0 . 4.16 1794 1341 A 70 TRP H A 70 TRP HBx 1.0 . 3.59 1795 1342 A 70 TRP H A 70 TRP HBy 1.0 . 3.59 1796 1343 A 70 TRP H A 70 TRP HBy 1.0 . 3.15 1797 1343 A 70 TRP H A 70 TRP HBx 1.0 . 3.15 1798 1344 A 70 TRP H A 71 ILE H 1.0 . 3.75 1799 1345 A 70 TRP H A 72 LEU H 1.0 . 4.86 1800 1346 A 73 GLU H A 70 TRP HA 1.0 . 4.18 1801 1347 A 70 TRP HA A 73 GLU HBy 1.0 . 4.13 1802 1348 A 70 TRP HA A 73 GLU HBx 1.0 . 4.13 1803 1349 A 70 TRP HBx A 71 ILE H 1.0 . 4.32 1804 1350 A 71 ILE H A 70 TRP HBy 1.0 . 4.32 1805 1351 A 70 TRP HE1 A 70 TRP HBy 1.0 . 4.48 1806 1351 A 70 TRP HBx A 70 TRP HE1 1.0 . 4.48 1807 1352 A 71 ILE H A 70 TRP HBy 1.0 . 3.76 1808 1352 A 70 TRP HBx A 71 ILE H 1.0 . 3.76 1809 1353 A 73 GLU H A 70 TRP HBy 1.0 . 5.31 1810 1353 A 70 TRP HBx A 73 GLU H 1.0 . 5.31 1811 1354 A 70 TRP HBx A 73 GLU HBy 1.0 . 5.18 1812 1354 A 70 TRP HBy A 73 GLU HBy 1.0 . 5.18 1813 1354 A 73 GLU HBx A 70 TRP HBy 1.0 . 5.18 1814 1354 A 70 TRP HBx A 73 GLU HBx 1.0 . 5.18 1815 1355 A 71 ILE HB A 71 ILE H 1.0 . 3.78 1816 1356 A 71 ILE HG2% A 71 ILE H 1.0 . 3.78 1817 1357 A 71 ILE HG1x A 71 ILE H 1.0 . 3.89 1818 1358 A 71 ILE H A 71 ILE HG1y 1.0 . 3.80 1819 1359 A 71 ILE HD1% A 71 ILE H 1.0 . 3.88 1820 1360 A 71 ILE H A 72 LEU H 1.0 . 3.85 1821 1361 A 71 ILE H A 72 LEU HA 1.0 . 5.50 1822 1362 A 71 ILE H A 72 LEU HG 1.0 . 4.86 1823 1363 A 71 ILE H A 73 GLU H 1.0 . 4.84 1824 1364 A 71 ILE HG2% A 71 ILE HA 1.0 . 3.63 1825 1365 A 71 ILE HG1x A 71 ILE HA 1.0 . 4.02 1826 1366 A 71 ILE HG1y A 71 ILE HA 1.0 . 4.15 1827 1367 A 71 ILE HD1% A 71 ILE HA 1.0 . 4.21 1828 1368 A 71 ILE HA A 74 HIS H 1.0 . 4.41 1829 1369 A 71 ILE HD1% A 71 ILE HB 1.0 . 3.56 1830 1370 A 71 ILE HB A 72 LEU H 1.0 . 4.39 1831 1371 A 71 ILE HB A 72 LEU HA 1.0 . 4.26 1832 1372 A 71 ILE HG2% A 71 ILE HG1x 1.0 . 3.43 1833 1373 A 71 ILE HG2% A 71 ILE HG1y 1.0 . 3.85 1834 1374 A 71 ILE HG2% A 71 ILE HD1% 1.0 . 2.94 1835 1375 A 71 ILE HG2% A 72 LEU HA 1.0 . 5.50 1836 1376 A 71 ILE HG2% A 72 LEU HG 1.0 . 4.98 1837 1377 A 73 GLU H A 71 ILE HG1y 1.0 . 4.55 1838 1378 A 71 ILE HD1% A 72 LEU H 1.0 . 4.85 1839 1379 A 71 ILE HD1% A 72 LEU HA 1.0 . 5.23 1840 1380 A 71 ILE HD1% A 72 LEU HBy 1.0 . 4.72 1841 1380 A 71 ILE HD1% A 72 LEU HBx 1.0 . 4.72 1842 1381 A 72 LEU H A 72 LEU HBy 1.0 . 3.69 1843 1382 A 72 LEU H A 72 LEU HBx 1.0 . 3.69 1844 1383 A 72 LEU H A 72 LEU HBy 1.0 . 3.18 1845 1383 A 72 LEU H A 72 LEU HBx 1.0 . 3.18 1846 1384 A 72 LEU H A 72 LEU HG 1.0 . 3.55 1847 1385 A 72 LEU HDx% A 72 LEU H 1.0 . 3.62 1848 1386 A 72 LEU H A 72 LEU HDy% 1.0 . 3.81 1849 1387 A 72 LEU H A 73 GLU H 1.0 . 3.60 1850 1388 A 72 LEU H A 74 HIS H 1.0 . 4.54 1851 1389 A 72 LEU HA A 72 LEU HG 1.0 . 3.21 1852 1390 A 72 LEU HA A 72 LEU HDy% 1.0 . 2.98 1853 1391 A 72 LEU HA A 74 HIS H 1.0 . 4.12 1854 1392 A 72 LEU HBy A 72 LEU HDy% 1.0 . 3.72 1855 1393 A 73 GLU H A 72 LEU HBy 1.0 . 4.35 1856 1394 A 72 LEU HBx A 72 LEU HDy% 1.0 . 3.72 1857 1395 A 73 GLU H A 72 LEU HBx 1.0 . 4.35 1858 1396 A 72 LEU HBx A 72 LEU HDy% 1.0 . 3.06 1859 1396 A 72 LEU HBy A 72 LEU HDy% 1.0 . 3.06 1860 1397 A 73 GLU H A 72 LEU HBy 1.0 . 3.62 1861 1397 A 73 GLU H A 72 LEU HBx 1.0 . 3.62 1862 1398 A 72 LEU HDx% A 73 GLU H 1.0 . 4.13 1863 1399 A 72 LEU HDx% A 73 GLU HBx 1.0 . 5.03 1864 1399 A 72 LEU HDx% A 73 GLU HBy 1.0 . 5.03 1865 1400 A 73 GLU H A 73 GLU HBy 1.0 . 3.36 1866 1401 A 73 GLU H A 73 GLU HBx 1.0 . 3.36 1867 1402 A 73 GLU H A 74 HIS H 1.0 . 3.42 1868 1403 A 74 HIS H A 73 GLU HBy 1.0 . 4.10 1869 1404 A 73 GLU HBx A 74 HIS H 1.0 . 4.10 1870 1405 A 74 HIS H A 73 GLU HBy 1.0 . 3.56 1871 1405 A 73 GLU HBx A 74 HIS H 1.0 . 3.56 stop_ save_ save_DYANA/DIANA_dihedral_2 _nef_dihedral_restraint_list.sf_category nef_dihedral_restraint_list _nef_dihedral_restraint_list.sf_framecode DYANA/DIANA_dihedral_2 _nef_dihedral_restraint_list.potential_type square-well-parabolic _nef_dihedral_restraint_list.restraint_origin . loop_ _nef_dihedral_restraint.index _nef_dihedral_restraint.restraint_id _nef_dihedral_restraint.chain_code_1 _nef_dihedral_restraint.sequence_code_1 _nef_dihedral_restraint.residue_name_1 _nef_dihedral_restraint.atom_name_1 _nef_dihedral_restraint.chain_code_2 _nef_dihedral_restraint.sequence_code_2 _nef_dihedral_restraint.residue_name_2 _nef_dihedral_restraint.atom_name_2 _nef_dihedral_restraint.chain_code_3 _nef_dihedral_restraint.sequence_code_3 _nef_dihedral_restraint.residue_name_3 _nef_dihedral_restraint.atom_name_3 _nef_dihedral_restraint.chain_code_4 _nef_dihedral_restraint.sequence_code_4 _nef_dihedral_restraint.residue_name_4 _nef_dihedral_restraint.atom_name_4 _nef_dihedral_restraint.weight _nef_dihedral_restraint.lower_limit _nef_dihedral_restraint.upper_limit _nef_dihedral_restraint.name 1 1 A 3 THR C A 4 ILE N A 4 ILE CA A 4 ILE C 1.0 -70.7 -40.7 PHI 2 2 A 4 ILE N A 4 ILE CA A 4 ILE C A 5 ASP N 1.0 -52.2 -26.7 PSI 3 3 A 4 ILE C A 5 ASP N A 5 ASP CA A 5 ASP C 1.0 -73.9 -43.4 PHI 4 4 A 5 ASP N A 5 ASP CA A 5 ASP C A 6 ASP N 1.0 -50.1 -30.1 PSI 5 5 A 5 ASP C A 6 ASP N A 6 ASP CA A 6 ASP C 1.0 -75.1 -45.1 PHI 6 6 A 6 ASP N A 6 ASP CA A 6 ASP C A 7 ALA N 1.0 -52.8 -24.0 PSI 7 7 A 6 ASP C A 7 ALA N A 7 ALA CA A 7 ALA C 1.0 -76.5 -45.3 PHI 8 8 A 7 ALA N A 7 ALA CA A 7 ALA C A 8 PHE N 1.0 -57.4 -24.1 PSI 9 9 A 7 ALA C A 8 PHE N A 8 PHE CA A 8 PHE C 1.0 -77.4 -47.4 PHI 10 10 A 8 PHE N A 8 PHE CA A 8 PHE C A 9 ARG N 1.0 -52.5 -32.5 PSI 11 11 A 8 PHE C A 9 ARG N A 9 ARG CA A 9 ARG C 1.0 -77.9 -42.8 PHI 12 12 A 9 ARG N A 9 ARG CA A 9 ARG C A 10 ALA N 1.0 -49.9 -28.0 PSI 13 13 A 9 ARG C A 10 ALA N A 10 ALA CA A 10 ALA C 1.0 -75.5 -45.5 PHI 14 14 A 10 ALA N A 10 ALA CA A 10 ALA C A 11 ILE N 1.0 -50.8 -27.4 PSI 15 15 A 10 ALA C A 11 ILE N A 11 ILE CA A 11 ILE C 1.0 -77.2 -44.9 PHI 16 16 A 11 ILE N A 11 ILE CA A 11 ILE C A 12 GLU N 1.0 -54.6 -29.2 PSI 17 17 A 11 ILE C A 12 GLU N A 12 GLU CA A 12 GLU C 1.0 -75.3 -41.4 PHI 18 18 A 12 GLU N A 12 GLU CA A 12 GLU C A 13 ARG N 1.0 -52.4 -30.7 PSI 19 19 A 12 GLU C A 13 ARG N A 13 ARG CA A 13 ARG C 1.0 -75.2 -45.2 PHI 20 20 A 13 ARG N A 13 ARG CA A 13 ARG C A 14 ALA N 1.0 -49.9 -29.0 PSI 21 21 A 13 ARG C A 14 ALA N A 14 ALA CA A 14 ALA C 1.0 -78.1 -46.3 PHI 22 22 A 14 ALA N A 14 ALA CA A 14 ALA C A 15 ILE N 1.0 -50.8 -26.6 PSI 23 23 A 14 ALA C A 15 ILE N A 15 ILE CA A 15 ILE C 1.0 -74.9 -44.9 PHI 24 24 A 15 ILE N A 15 ILE CA A 15 ILE C A 16 GLN N 1.0 -53.8 -33.8 PSI 25 25 A 15 ILE C A 16 GLN N A 16 GLN CA A 16 GLN C 1.0 -73.5 -43.5 PHI 26 26 A 16 GLN N A 16 GLN CA A 16 GLN C A 17 ALA N 1.0 -54.7 -23.8 PSI 27 27 A 16 GLN C A 17 ALA N A 17 ALA CA A 17 ALA C 1.0 -77.6 -41.9 PHI 28 28 A 17 ALA N A 17 ALA CA A 17 ALA C A 18 GLU N 1.0 -55.6 -16.5 PSI 29 29 A 21 GLY C A 22 ARG N A 22 ARG CA A 22 ARG C 1.0 -80.3 -46.6 PHI 30 30 A 22 ARG N A 22 ARG CA A 22 ARG C A 23 TYR N 1.0 -59.4 -22.4 PSI 31 31 A 22 ARG C A 23 TYR N A 23 TYR CA A 23 TYR C 1.0 -75.0 -45.0 PHI 32 32 A 23 TYR N A 23 TYR CA A 23 TYR C A 24 ARG N 1.0 -49.6 -28.9 PSI 33 33 A 23 TYR C A 24 ARG N A 24 ARG CA A 24 ARG C 1.0 -73.5 -43.5 PHI 34 34 A 24 ARG N A 24 ARG CA A 24 ARG C A 25 GLU N 1.0 -55.4 -28.8 PSI 35 35 A 24 ARG C A 25 GLU N A 25 GLU CA A 25 GLU C 1.0 -75.2 -45.2 PHI 36 36 A 25 GLU N A 25 GLU CA A 25 GLU C A 26 ALA N 1.0 -53.4 -20.9 PSI 37 37 A 25 GLU C A 26 ALA N A 26 ALA CA A 26 ALA C 1.0 -75.1 -45.0 PHI 38 38 A 26 ALA N A 26 ALA CA A 26 ALA C A 27 LEU N 1.0 -49.7 -29.7 PSI 39 39 A 26 ALA C A 27 LEU N A 27 LEU CA A 27 LEU C 1.0 -72.7 -52.2 PHI 40 40 A 27 LEU N A 27 LEU CA A 27 LEU C A 28 LYS N 1.0 -50.6 -28.8 PSI 41 41 A 27 LEU C A 28 LYS N A 28 LYS CA A 28 LYS C 1.0 -75.2 -39.6 PHI 42 42 A 28 LYS N A 28 LYS CA A 28 LYS C A 29 HIS N 1.0 -55.1 -23.9 PSI 43 43 A 28 LYS C A 29 HIS N A 29 HIS CA A 29 HIS C 1.0 -78.2 -43.7 PHI 44 44 A 29 HIS N A 29 HIS CA A 29 HIS C A 30 PHE N 1.0 -57.4 -13.9 PSI 45 45 A 29 HIS C A 30 PHE N A 30 PHE CA A 30 PHE C 1.0 -79.1 -42.6 PHI 46 46 A 30 PHE N A 30 PHE CA A 30 PHE C A 31 LEU N 1.0 -46.3 -24.9 PSI 47 47 A 30 PHE C A 31 LEU N A 31 LEU CA A 31 LEU C 1.0 -77.2 -47.7 PHI 48 48 A 31 LEU N A 31 LEU CA A 31 LEU C A 32 ASP N 1.0 -52.2 -30.3 PSI 49 49 A 31 LEU C A 32 ASP N A 32 ASP CA A 32 ASP C 1.0 -71.3 -41.3 PHI 50 50 A 32 ASP N A 32 ASP CA A 32 ASP C A 33 GLY N 1.0 -58.9 -18.9 PSI 51 51 A 32 ASP C A 33 GLY N A 33 GLY CA A 33 GLY C 1.0 -79.4 -54.9 PHI 52 52 A 33 GLY N A 33 GLY CA A 33 GLY C A 34 GLY N 1.0 -51.4 -26.6 PSI 53 53 A 33 GLY C A 34 GLY N A 34 GLY CA A 34 GLY C 1.0 -81.3 -45.5 PHI 54 54 A 34 GLY N A 34 GLY CA A 34 GLY C A 35 GLU N 1.0 -56.3 -29.7 PSI 55 55 A 34 GLY C A 35 GLU N A 35 GLU CA A 35 GLU C 1.0 -79.2 -41.3 PHI 56 56 A 35 GLU N A 35 GLU CA A 35 GLU C A 36 MET N 1.0 -62.0 -18.0 PSI 57 57 A 35 GLU C A 36 MET N A 36 MET CA A 36 MET C 1.0 -78.0 -40.7 PHI 58 58 A 36 MET N A 36 MET CA A 36 MET C A 37 ILE N 1.0 -54.5 -29.3 PSI 59 59 A 36 MET C A 37 ILE N A 37 ILE CA A 37 ILE C 1.0 -79.2 -49.2 PHI 60 60 A 37 ILE N A 37 ILE CA A 37 ILE C A 38 VAL N 1.0 -54.2 -26.6 PSI 61 61 A 37 ILE C A 38 VAL N A 38 VAL CA A 38 VAL C 1.0 -74.6 -41.4 PHI 62 62 A 38 VAL N A 38 VAL CA A 38 VAL C A 39 THR N 1.0 -53.7 -31.6 PSI 63 63 A 38 VAL C A 39 THR N A 39 THR CA A 39 THR C 1.0 -76.0 -46.0 PHI 64 64 A 39 THR N A 39 THR CA A 39 THR C A 40 ALA N 1.0 -50.1 -30.1 PSI 65 65 A 39 THR C A 40 ALA N A 40 ALA CA A 40 ALA C 1.0 -75.0 -45.0 PHI 66 66 A 40 ALA N A 40 ALA CA A 40 ALA C A 41 ALA N 1.0 -51.2 -29.1 PSI 67 67 A 40 ALA C A 41 ALA N A 41 ALA CA A 41 ALA C 1.0 -74.7 -44.7 PHI 68 68 A 41 ALA N A 41 ALA CA A 41 ALA C A 42 GLU N 1.0 -58.5 -27.2 PSI 69 69 A 48 LYS C A 49 VAL N A 49 VAL CA A 49 VAL C 1.0 -77.0 -47.0 PHI 70 70 A 49 VAL N A 49 VAL CA A 49 VAL C A 50 ARG N 1.0 -56.4 -32.3 PSI 71 71 A 49 VAL C A 50 ARG N A 50 ARG CA A 50 ARG C 1.0 -73.6 -43.6 PHI 72 72 A 50 ARG N A 50 ARG CA A 50 ARG C A 51 ASN N 1.0 -52.2 -32.2 PSI 73 73 A 50 ARG C A 51 ASN N A 51 ASN CA A 51 ASN C 1.0 -75.2 -45.2 PHI 74 74 A 51 ASN N A 51 ASN CA A 51 ASN C A 52 LEU N 1.0 -57.2 -18.3 PSI 75 75 A 51 ASN C A 52 LEU N A 52 LEU CA A 52 LEU C 1.0 -77.7 -43.9 PHI 76 76 A 52 LEU N A 52 LEU CA A 52 LEU C A 53 LEU N 1.0 -61.2 -30.4 PSI 77 77 A 52 LEU C A 53 LEU N A 53 LEU CA A 53 LEU C 1.0 -77.1 -40.9 PHI 78 78 A 53 LEU N A 53 LEU CA A 53 LEU C A 54 LEU N 1.0 -55.2 -29.3 PSI 79 79 A 53 LEU C A 54 LEU N A 54 LEU CA A 54 LEU C 1.0 -76.0 -46.0 PHI 80 80 A 54 LEU N A 54 LEU CA A 54 LEU C A 55 HIS N 1.0 -51.2 -27.9 PSI 81 81 A 54 LEU C A 55 HIS N A 55 HIS CA A 55 HIS C 1.0 -81.4 -44.8 PHI 82 82 A 55 HIS N A 55 HIS CA A 55 HIS C A 56 LYS N 1.0 -50.1 -24.1 PSI 83 83 A 55 HIS C A 56 LYS N A 56 LYS CA A 56 LYS C 1.0 -74.2 -44.2 PHI 84 84 A 56 LYS N A 56 LYS CA A 56 LYS C A 57 GLY N 1.0 -61.8 -21.9 PSI 85 85 A 56 LYS C A 57 GLY N A 57 GLY CA A 57 GLY C 1.0 -81.1 -49.6 PHI 86 86 A 57 GLY N A 57 GLY CA A 57 GLY C A 58 LYS N 1.0 -52.4 -32.4 PSI 87 87 A 57 GLY C A 58 LYS N A 58 LYS CA A 58 LYS C 1.0 -75.8 -43.2 PHI 88 88 A 58 LYS N A 58 LYS CA A 58 LYS C A 59 GLU N 1.0 -63.5 -20.3 PSI 89 89 A 58 LYS C A 59 GLU N A 59 GLU CA A 59 GLU C 1.0 -79.0 -49.6 PHI 90 90 A 59 GLU N A 59 GLU CA A 59 GLU C A 60 VAL N 1.0 -60.3 -14.9 PSI 91 91 A 59 GLU C A 60 VAL N A 60 VAL CA A 60 VAL C 1.0 -74.3 -44.2 PHI 92 92 A 60 VAL N A 60 VAL CA A 60 VAL C A 61 LEU N 1.0 -53.0 -31.9 PSI 93 93 A 60 VAL C A 61 LEU N A 61 LEU CA A 61 LEU C 1.0 -74.5 -44.5 PHI 94 94 A 61 LEU N A 61 LEU CA A 61 LEU C A 62 GLU N 1.0 -54.0 -27.4 PSI 95 95 A 61 LEU C A 62 GLU N A 62 GLU CA A 62 GLU C 1.0 -81.3 -43.7 PHI 96 96 A 62 GLU N A 62 GLU CA A 62 GLU C A 63 TRP N 1.0 -47.4 -27.4 PSI 97 97 A 62 GLU C A 63 TRP N A 63 TRP CA A 63 TRP C 1.0 -75.7 -42.1 PHI 98 98 A 63 TRP N A 63 TRP CA A 63 TRP C A 64 ALA N 1.0 -58.6 -29.9 PSI 99 99 A 63 TRP C A 64 ALA N A 64 ALA CA A 64 ALA C 1.0 -79.5 -44.3 PHI 100 100 A 64 ALA N A 64 ALA CA A 64 ALA C A 65 GLU N 1.0 -55.7 -18.9 PSI 101 101 A 64 ALA C A 65 GLU N A 65 GLU CA A 65 GLU C 1.0 -75.5 -39.8 PHI 102 102 A 65 GLU N A 65 GLU CA A 65 GLU C A 66 HIS N 1.0 -60.1 -22.6 PSI 103 103 A 65 GLU C A 66 HIS N A 66 HIS CA A 66 HIS C 1.0 -79.3 -40.1 PHI 104 104 A 66 HIS N A 66 HIS CA A 66 HIS C A 67 LEU N 1.0 -56.6 -18.0 PSI 105 105 A 66 HIS C A 67 LEU N A 67 LEU CA A 67 LEU C 1.0 -70.1 -41.6 PHI 106 106 A 67 LEU N A 67 LEU CA A 67 LEU C A 68 ALA N 1.0 -54.6 -19.6 PSI 107 107 A 67 LEU C A 68 ALA N A 68 ALA CA A 68 ALA C 1.0 -72.5 -42.1 PHI 108 108 A 68 ALA N A 68 ALA CA A 68 ALA C A 69 GLU N 1.0 -58.1 -27.2 PSI 109 109 A 68 ALA C A 69 GLU N A 69 GLU CA A 69 GLU C 1.0 -79.3 -42.3 PHI 110 110 A 69 GLU N A 69 GLU CA A 69 GLU C A 70 TRP N 1.0 -51.0 -25.2 PSI 111 111 A 69 GLU C A 70 TRP N A 70 TRP CA A 70 TRP C 1.0 -74.5 -44.5 PHI 112 112 A 70 TRP N A 70 TRP CA A 70 TRP C A 71 ILE N 1.0 -51.9 -31.4 PSI 113 113 A 70 TRP C A 71 ILE N A 71 ILE CA A 71 ILE C 1.0 -73.3 -43.3 PHI 114 114 A 71 ILE N A 71 ILE CA A 71 ILE C A 72 LEU N 1.0 -62.7 -27.1 PSI 115 115 A 71 ILE C A 72 LEU N A 72 LEU CA A 72 LEU C 1.0 -73.2 -43.2 PHI 116 116 A 72 LEU N A 72 LEU CA A 72 LEU C A 73 GLU N 1.0 -54.5 -20.0 PSI 117 117 A 72 LEU C A 73 GLU N A 73 GLU CA A 73 GLU C 1.0 -78.9 -35.4 PHI 118 118 A 73 GLU N A 73 GLU CA A 73 GLU C A 74 HIS N 1.0 -50.1 -27.0 PSI stop_ save_