data_nef_c19433_2mca save_entry_information _nef_nmr_meta_data.sf_category nef_nmr_meta_data _nef_nmr_meta_data.sf_framecode entry_information _nef_nmr_meta_data.format_name nmr_exchange_format _nef_nmr_meta_data.format_version 1.1 save_ save_assembly _nef_molecular_system.sf_category nef_molecular_system _nef_molecular_system.sf_framecode assembly loop_ _nef_sequence.index _nef_sequence.chain_code _nef_sequence.sequence_code _nef_sequence.residue_name _nef_sequence.linking _nef_sequence.residue_variant _nef_sequence.cis_peptide 1 A 1 GLY start . false 2 A 2 ALA middle . . 3 A 3 GLN middle . . 4 A 4 ASP middle . . 5 A 5 GLY middle . false 6 A 6 LYS middle . . 7 A 7 GLU middle . . 8 A 8 THR middle . . 9 A 9 THR middle . . 10 A 10 THR middle . . 11 A 11 ILE middle . . 12 A 12 ARG middle . . 13 A 13 LEU middle . . 14 A 14 ILE middle . . 15 A 15 ASN middle . . 16 A 16 GLN middle . . 17 A 17 THR middle . . 18 A 18 TYR middle . . 19 A 19 PHE middle . . 20 A 20 ASN middle . . 21 A 21 VAL middle . . 22 A 22 LYS middle . . 23 A 23 ASN middle . . 24 A 24 ILE middle . . 25 A 25 LYS middle . . 26 A 26 VAL middle . . 27 A 27 THR middle . . 28 A 28 TRP middle . . 29 A 29 ASN middle . . 30 A 30 ASP middle . . 31 A 31 GLY middle . false 32 A 32 LYS middle . . 33 A 33 GLU middle . . 34 A 34 GLN middle . . 35 A 35 THR middle . . 36 A 36 VAL middle . . 37 A 37 ASN middle . . 38 A 38 THR middle . . 39 A 39 LEU middle . . 40 A 40 GLY middle . false 41 A 41 SER middle . . 42 A 42 HIS middle . . 43 A 43 ASP middle . . 44 A 44 SER middle . . 45 A 45 ILE middle . . 46 A 46 ASP middle . . 47 A 47 PHE middle . . 48 A 48 SER middle . . 49 A 49 SER middle . . 50 A 50 ASP middle . . 51 A 51 ALA middle . . 52 A 52 GLY middle . false 53 A 53 SER middle . . 54 A 54 VAL middle . . 55 A 55 TYR middle . . 56 A 56 LYS middle . . 57 A 57 MET middle . . 58 A 58 ASP middle . . 59 A 59 VAL middle . . 60 A 60 THR middle . . 61 A 61 GLY middle . false 62 A 62 THR middle . . 63 A 63 THR middle . . 64 A 64 GLN middle . . 65 A 65 SER middle . . 66 A 66 GLY middle . false 67 A 67 GLU middle . . 68 A 68 LYS middle . . 69 A 69 PHE middle . . 70 A 70 THR middle . . 71 A 71 GLY middle . false 72 A 72 HIS middle . . 73 A 73 PHE middle . . 74 A 74 LYS middle . . 75 A 75 GLY middle . false 76 A 76 LEU middle . . 77 A 77 VAL middle . . 78 A 78 GLY middle . false 79 A 79 LYS middle . . 80 A 80 ASP middle . . 81 A 81 THR middle . . 82 A 82 ARG middle . . 83 A 83 VAL middle . . 84 A 84 PHE middle . . 85 A 85 ILE middle . . 86 A 86 GLU middle . . 87 A 87 LEU middle . . 88 A 88 ASP middle . . 89 A 89 GLU middle . . 90 A 90 ASN middle . . 91 A 91 ALA middle . . 92 A 92 ASP middle . . 93 A 93 VAL middle . . 94 A 94 GLN middle . . 95 A 95 VAL middle . . 96 A 96 PHE middle . . 97 A 97 ILE middle . . 98 A 98 PRO middle . false 99 A 99 GLN middle . . 100 A 100 GLY middle . false 101 A 101 GLU middle . . 102 A 102 ILE middle . . 103 A 103 ASP end . . stop_ save_ save_assigned_chem_shift_list_1 _nef_chemical_shift_list.sf_category nef_chemical_shift_list _nef_chemical_shift_list.sf_framecode assigned_chem_shift_list_1 loop_ _nef_chemical_shift.chain_code _nef_chemical_shift.sequence_code _nef_chemical_shift.residue_name _nef_chemical_shift.atom_name _nef_chemical_shift.element _nef_chemical_shift.isotope_number _nef_chemical_shift.value _nef_chemical_shift.value_uncertainty A 2 ALA HA H 1 4.231 0.000 A 2 ALA HB% H 1 1.334 0.000 A 2 ALA CA C 13 50.533 0.000 A 2 ALA CB C 13 16.644 0.000 A 3 GLN H H 1 8.579 0.000 A 3 GLN HA H 1 4.268 0.000 A 3 GLN HBx H 1 1.921 0.000 A 3 GLN HBy H 1 2.084 0.000 A 3 GLN HGx H 1 2.291 0.000 A 3 GLN HGy H 1 2.291 0.000 A 3 GLN CB C 13 26.439 0.000 A 3 GLN CG C 13 31.295 0.000 A 3 GLN N N 15 118.180 0.000 A 4 ASP H H 1 8.061 0.000 A 4 ASP HA H 1 4.497 0.000 A 4 ASP HBx H 1 2.630 0.000 A 4 ASP HBy H 1 2.630 0.000 A 4 ASP CA C 13 51.765 0.000 A 4 ASP CB C 13 38.522 0.000 A 4 ASP N N 15 120.328 0.000 A 5 GLY H H 1 8.322 0.000 A 5 GLY HAx H 1 3.865 0.000 A 5 GLY HAy H 1 3.889 0.000 A 5 GLY CA C 13 43.030 0.000 A 5 GLY N N 15 109.114 0.000 A 6 LYS H H 1 8.030 0.000 A 6 LYS HA H 1 4.297 0.000 A 6 LYS HBy H 1 1.780 0.000 A 6 LYS HBx H 1 1.690 0.000 A 6 LYS CA C 13 53.319 0.000 A 6 LYS CB C 13 30.441 0.000 A 6 LYS N N 15 120.397 0.000 A 7 GLU H H 1 8.464 0.000 A 7 GLU HA H 1 4.295 0.000 A 7 GLU HBx H 1 1.849 0.000 A 7 GLU HBy H 1 1.968 0.000 A 7 GLU HGx H 1 2.150 0.000 A 7 GLU HGy H 1 2.150 0.000 A 7 GLU CA C 13 53.287 0.000 A 7 GLU CB C 13 27.757 0.000 A 7 GLU CG C 13 33.667 0.000 A 7 GLU N N 15 122.113 0.000 A 8 THR H H 1 7.984 0.000 A 8 THR HA H 1 4.543 0.000 A 8 THR HB H 1 4.057 0.000 A 8 THR HG2% H 1 1.045 0.000 A 8 THR CA C 13 57.966 0.000 A 8 THR CB C 13 68.123 0.000 A 8 THR CG2 C 13 19.073 0.000 A 8 THR N N 15 114.459 0.000 A 9 THR H H 1 8.140 0.000 A 9 THR HA H 1 4.584 0.000 A 9 THR HB H 1 4.208 0.000 A 9 THR HG2% H 1 1.007 0.000 A 9 THR CA C 13 58.575 0.000 A 9 THR CB C 13 67.866 0.000 A 9 THR CG2 C 13 19.786 0.000 A 9 THR N N 15 116.229 0.000 A 10 THR H H 1 8.544 0.000 A 10 THR HA H 1 4.563 0.000 A 10 THR HB H 1 3.658 0.000 A 10 THR HG2% H 1 0.844 0.000 A 10 THR CA C 13 59.364 0.000 A 10 THR CB C 13 68.411 0.000 A 10 THR CG2 C 13 19.216 0.000 A 10 THR N N 15 118.509 0.000 A 11 ILE H H 1 8.595 0.000 A 11 ILE HA H 1 4.025 0.000 A 11 ILE HB H 1 0.325 0.000 A 11 ILE HD1% H 1 -0.759 0.000 A 11 ILE HG1x H 1 0.010 0.000 A 11 ILE HG1y H 1 0.769 0.000 A 11 ILE HG2% H 1 -0.008 0.000 A 11 ILE CA C 13 57.323 0.000 A 11 ILE CB C 13 36.340 0.000 A 11 ILE CD1 C 13 9.979 0.000 A 11 ILE CG1 C 13 25.278 0.000 A 11 ILE CG2 C 13 15.320 0.000 A 11 ILE N N 15 126.772 0.000 A 12 ARG H H 1 8.031 0.000 A 12 ARG HA H 1 4.993 0.000 A 12 ARG HBx H 1 1.278 0.000 A 12 ARG HBy H 1 1.383 0.000 A 12 ARG HDx H 1 2.671 0.000 A 12 ARG HDy H 1 2.897 0.000 A 12 ARG HGy H 1 1.284 0.000 A 12 ARG HGx H 1 1.071 0.000 A 12 ARG CA C 13 50.890 0.000 A 12 ARG CB C 13 30.964 0.000 A 12 ARG CD C 13 40.797 0.000 A 12 ARG CG C 13 24.267 0.000 A 12 ARG N N 15 125.922 0.000 A 13 LEU H H 1 8.828 0.000 A 13 LEU HA H 1 4.943 0.000 A 13 LEU HBy H 1 1.478 0.000 A 13 LEU HBx H 1 1.270 0.000 A 13 LEU HDx% H 1 0.685 0.000 A 13 LEU HDy% H 1 0.655 0.000 A 13 LEU HG H 1 1.364 0.000 A 13 LEU CA C 13 50.626 0.000 A 13 LEU CB C 13 42.033 0.000 A 13 LEU CDx C 13 22.323 0.000 A 13 LEU CDy C 13 22.986 0.000 A 13 LEU CG C 13 25.061 0.000 A 13 LEU N N 15 126.771 0.000 A 14 ILE H H 1 8.847 0.000 A 14 ILE HA H 1 4.177 0.000 A 14 ILE HB H 1 1.251 0.000 A 14 ILE HD1% H 1 0.096 0.000 A 14 ILE HG1x H 1 0.621 0.000 A 14 ILE HG1y H 1 0.987 0.000 A 14 ILE HG2% H 1 0.590 0.000 A 14 ILE CA C 13 58.514 0.000 A 14 ILE CB C 13 38.667 0.000 A 14 ILE CD1 C 13 12.115 0.000 A 14 ILE CG1 C 13 25.387 0.000 A 14 ILE CG2 C 13 15.959 0.000 A 14 ILE N N 15 123.438 0.000 A 15 ASN H H 1 8.446 0.000 A 15 ASN HA H 1 4.880 0.000 A 15 ASN HBx H 1 2.115 0.000 A 15 ASN HBy H 1 3.500 0.000 A 15 ASN HD2y H 1 7.976 0.000 A 15 ASN HD2x H 1 6.423 0.000 A 15 ASN CA C 13 48.668 0.000 A 15 ASN CB C 13 34.821 0.000 A 15 ASN N N 15 123.130 0.000 A 15 ASN ND2 N 15 112.257 0.000 A 16 GLN H H 1 9.063 0.000 A 16 GLN HA H 1 4.531 0.000 A 16 GLN HBy H 1 2.341 0.000 A 16 GLN HBx H 1 1.926 0.000 A 16 GLN HE2y H 1 6.997 0.000 A 16 GLN HE2x H 1 6.497 0.000 A 16 GLN HGy H 1 2.336 0.000 A 16 GLN HGx H 1 2.158 0.000 A 16 GLN CA C 13 52.160 0.000 A 16 GLN CB C 13 26.904 0.000 A 16 GLN CG C 13 31.563 0.000 A 16 GLN N N 15 125.061 0.000 A 16 GLN NE2 N 15 110.642 0.000 A 17 THR H H 1 7.765 0.000 A 17 THR HA H 1 4.415 0.000 A 17 THR HB H 1 3.441 0.000 A 17 THR HG2% H 1 0.783 0.000 A 17 THR CA C 13 58.240 0.000 A 17 THR CB C 13 67.913 0.000 A 17 THR CG2 C 13 18.405 0.000 A 17 THR N N 15 110.936 0.000 A 18 TYR H H 1 6.950 0.000 A 18 TYR HA H 1 4.355 0.000 A 18 TYR HBx H 1 2.901 0.000 A 18 TYR HBy H 1 3.008 0.000 A 18 TYR HDx H 1 6.985 0.000 A 18 TYR HDy H 1 6.985 0.000 A 18 TYR HEx H 1 6.737 0.000 A 18 TYR HEy H 1 6.737 0.000 A 18 TYR CA C 13 54.029 0.000 A 18 TYR CB C 13 34.567 0.000 A 18 TYR CDx C 13 130.597 0.000 A 18 TYR CDy C 13 130.600 0.000 A 18 TYR CEy C 13 115.918 0.000 A 18 TYR CEx C 13 115.906 0.000 A 18 TYR N N 15 112.380 0.000 A 19 PHE H H 1 8.014 0.000 A 19 PHE HA H 1 4.996 0.000 A 19 PHE HBy H 1 2.986 0.000 A 19 PHE HBx H 1 2.924 0.000 A 19 PHE HDx H 1 6.867 0.000 A 19 PHE HDy H 1 6.867 0.000 A 19 PHE HEx H 1 7.111 0.000 A 19 PHE HEy H 1 7.111 0.000 A 19 PHE HZ H 1 7.178 0.000 A 19 PHE CA C 13 52.010 0.000 A 19 PHE CB C 13 38.471 0.000 A 19 PHE CDy C 13 129.298 0.000 A 19 PHE CDx C 13 129.296 0.000 A 19 PHE CEx C 13 128.510 0.000 A 19 PHE CEy C 13 128.510 0.000 A 19 PHE CZ C 13 126.856 0.000 A 19 PHE N N 15 119.710 0.000 A 20 ASN H H 1 8.724 0.000 A 20 ASN HA H 1 4.689 0.000 A 20 ASN HBx H 1 2.532 0.000 A 20 ASN HBy H 1 2.741 0.000 A 20 ASN HD2y H 1 7.442 0.000 A 20 ASN HD2x H 1 6.924 0.000 A 20 ASN CA C 13 52.037 0.000 A 20 ASN CB C 13 36.306 0.000 A 20 ASN N N 15 117.921 0.000 A 20 ASN ND2 N 15 113.277 0.000 A 21 VAL H H 1 8.186 0.000 A 21 VAL HA H 1 4.884 0.000 A 21 VAL HB H 1 2.213 0.000 A 21 VAL HGx% H 1 0.872 0.000 A 21 VAL HGy% H 1 0.899 0.000 A 21 VAL CA C 13 57.501 0.000 A 21 VAL CB C 13 31.845 0.000 A 21 VAL CGy C 13 19.616 0.000 A 21 VAL CGx C 13 17.863 0.000 A 21 VAL N N 15 115.311 0.000 A 22 LYS H H 1 9.331 0.000 A 22 LYS HA H 1 5.002 0.000 A 22 LYS HBx H 1 1.666 0.000 A 22 LYS HBy H 1 1.666 0.000 A 22 LYS HDx H 1 1.511 0.000 A 22 LYS HDy H 1 1.511 0.000 A 22 LYS HEx H 1 2.783 0.000 A 22 LYS HEy H 1 2.783 0.000 A 22 LYS HGx H 1 1.025 0.000 A 22 LYS HGy H 1 1.097 0.000 A 22 LYS CA C 13 51.533 0.000 A 22 LYS CB C 13 34.265 0.000 A 22 LYS CD C 13 26.798 0.000 A 22 LYS CE C 13 39.439 0.000 A 22 LYS CG C 13 21.327 0.000 A 22 LYS N N 15 119.772 0.000 A 23 ASN H H 1 8.573 0.000 A 23 ASN HA H 1 4.203 0.000 A 23 ASN HBx H 1 2.604 0.000 A 23 ASN HBy H 1 2.745 0.000 A 23 ASN HD2x H 1 6.807 0.000 A 23 ASN HD2y H 1 7.494 0.000 A 23 ASN CA C 13 50.933 0.000 A 23 ASN CB C 13 34.520 0.000 A 23 ASN N N 15 116.781 0.000 A 23 ASN ND2 N 15 112.261 0.000 A 24 ILE H H 1 8.329 0.000 A 24 ILE HA H 1 4.744 0.000 A 24 ILE HB H 1 1.815 0.000 A 24 ILE HD1% H 1 0.673 0.000 A 24 ILE HG1x H 1 0.824 0.000 A 24 ILE HG1y H 1 1.404 0.000 A 24 ILE HG2% H 1 0.696 0.000 A 24 ILE CA C 13 57.544 0.000 A 24 ILE CB C 13 36.236 0.000 A 24 ILE CD1 C 13 12.649 0.000 A 24 ILE CG1 C 13 26.156 0.000 A 24 ILE CG2 C 13 16.171 0.000 A 24 ILE N N 15 118.303 0.000 A 25 LYS H H 1 9.102 0.000 A 25 LYS HA H 1 4.886 0.000 A 25 LYS HBx H 1 1.514 0.000 A 25 LYS HBy H 1 1.654 0.000 A 25 LYS HDx H 1 1.449 0.000 A 25 LYS HDy H 1 1.449 0.000 A 25 LYS HEy H 1 2.703 0.000 A 25 LYS HEx H 1 2.650 0.000 A 25 LYS HGx H 1 1.135 0.000 A 25 LYS HGy H 1 1.135 0.000 A 25 LYS CA C 13 52.761 0.000 A 25 LYS CB C 13 31.647 0.000 A 25 LYS CD C 13 26.297 0.000 A 25 LYS CE C 13 39.244 0.000 A 25 LYS CG C 13 22.290 0.000 A 25 LYS N N 15 129.189 0.000 A 26 VAL H H 1 9.057 0.000 A 26 VAL HA H 1 4.966 0.000 A 26 VAL HB H 1 2.091 0.000 A 26 VAL HGx% H 1 0.858 0.000 A 26 VAL HGy% H 1 1.026 0.000 A 26 VAL CA C 13 58.099 0.000 A 26 VAL CB C 13 31.370 0.000 A 26 VAL CGx C 13 19.333 0.000 A 26 VAL CGy C 13 19.535 0.000 A 26 VAL N N 15 129.283 0.000 A 27 THR H H 1 9.177 0.000 A 27 THR HA H 1 5.542 0.000 A 27 THR HB H 1 4.119 0.000 A 27 THR HG2% H 1 1.091 0.000 A 27 THR CA C 13 56.977 0.000 A 27 THR CB C 13 68.220 0.000 A 27 THR CG2 C 13 19.269 0.000 A 27 THR N N 15 120.185 0.000 A 28 TRP H H 1 8.787 0.000 A 28 TRP HA H 1 5.390 0.000 A 28 TRP HBy H 1 3.353 0.000 A 28 TRP HBx H 1 3.201 0.000 A 28 TRP HD1 H 1 6.730 0.000 A 28 TRP HE1 H 1 10.728 0.000 A 28 TRP HE3 H 1 7.060 0.000 A 28 TRP HH2 H 1 6.967 0.000 A 28 TRP HZ2 H 1 7.358 0.000 A 28 TRP HZ3 H 1 6.731 0.000 A 28 TRP CA C 13 53.617 0.000 A 28 TRP CB C 13 29.962 0.000 A 28 TRP CD1 C 13 122.240 0.000 A 28 TRP CE3 C 13 118.863 0.000 A 28 TRP CH2 C 13 121.710 0.000 A 28 TRP CZ2 C 13 111.759 0.000 A 28 TRP CZ3 C 13 118.835 0.000 A 28 TRP N N 15 123.046 0.000 A 28 TRP NE1 N 15 129.528 0.000 A 29 ASN H H 1 8.193 0.000 A 29 ASN HA H 1 3.416 0.000 A 29 ASN HBy H 1 2.943 0.000 A 29 ASN HBx H 1 2.726 0.000 A 29 ASN HD2x H 1 7.614 0.000 A 29 ASN HD2y H 1 7.693 0.000 A 29 ASN CA C 13 51.265 0.000 A 29 ASN CB C 13 34.179 0.000 A 29 ASN N N 15 116.792 0.000 A 29 ASN ND2 N 15 108.705 0.000 A 30 ASP H H 1 8.937 0.000 A 30 ASP HA H 1 4.517 0.000 A 30 ASP HBx H 1 2.682 0.000 A 30 ASP HBy H 1 2.718 0.000 A 30 ASP CA C 13 51.462 0.000 A 30 ASP CB C 13 36.498 0.000 A 30 ASP N N 15 118.710 0.000 A 31 GLY H H 1 7.594 0.000 A 31 GLY HAx H 1 3.542 0.000 A 31 GLY HAy H 1 4.033 0.000 A 31 GLY CA C 13 43.466 0.000 A 31 GLY N N 15 106.542 0.000 A 32 LYS H H 1 7.510 0.000 A 32 LYS HA H 1 3.889 0.000 A 32 LYS HBx H 1 -0.051 0.000 A 32 LYS HBy H 1 0.327 0.000 A 32 LYS HDx H 1 1.441 0.000 A 32 LYS HDy H 1 1.514 0.000 A 32 LYS HEx H 1 2.967 0.000 A 32 LYS HEy H 1 3.023 0.000 A 32 LYS HGx H 1 1.054 0.000 A 32 LYS HGy H 1 1.054 0.000 A 32 LYS CA C 13 52.825 0.000 A 32 LYS CB C 13 28.130 0.000 A 32 LYS CD C 13 25.780 0.000 A 32 LYS CE C 13 39.867 0.000 A 32 LYS CG C 13 22.225 0.000 A 32 LYS N N 15 121.904 0.000 A 33 GLU H H 1 7.843 0.000 A 33 GLU HA H 1 5.280 0.000 A 33 GLU HBy H 1 1.705 0.000 A 33 GLU HBx H 1 1.667 0.000 A 33 GLU HGx H 1 1.925 0.000 A 33 GLU HGy H 1 1.925 0.000 A 33 GLU CA C 13 52.331 0.000 A 33 GLU CB C 13 31.709 0.000 A 33 GLU CG C 13 33.516 0.000 A 33 GLU N N 15 119.124 0.000 A 34 GLN H H 1 9.114 0.000 A 34 GLN HA H 1 4.423 0.000 A 34 GLN HBy H 1 1.454 0.000 A 34 GLN HBx H 1 1.441 0.000 A 34 GLN HE2x H 1 6.790 0.000 A 34 GLN HE2y H 1 6.981 0.000 A 34 GLN HGy H 1 1.856 0.000 A 34 GLN HGx H 1 1.426 0.000 A 34 GLN CA C 13 52.297 0.000 A 34 GLN CB C 13 30.242 0.000 A 34 GLN CG C 13 30.299 0.000 A 34 GLN N N 15 123.230 0.000 A 34 GLN NE2 N 15 111.045 0.000 A 35 THR H H 1 8.397 0.000 A 35 THR HA H 1 5.241 0.000 A 35 THR HB H 1 3.908 0.000 A 35 THR HG2% H 1 0.939 0.000 A 35 THR CA C 13 58.075 0.000 A 35 THR CB C 13 67.936 0.000 A 35 THR CG2 C 13 18.704 0.000 A 35 THR N N 15 119.194 0.000 A 36 VAL H H 1 8.976 0.000 A 36 VAL HA H 1 4.166 0.000 A 36 VAL HB H 1 1.849 0.000 A 36 VAL HGx% H 1 0.802 0.000 A 36 VAL HGy% H 1 0.757 0.000 A 36 VAL CA C 13 58.296 0.000 A 36 VAL CB C 13 31.785 0.000 A 36 VAL CGy C 13 18.705 0.000 A 36 VAL CGx C 13 17.853 0.000 A 36 VAL N N 15 126.317 0.000 A 37 ASN H H 1 8.974 0.000 A 37 ASN HA H 1 4.361 0.000 A 37 ASN HBx H 1 2.825 0.000 A 37 ASN HBy H 1 2.825 0.000 A 37 ASN HD2x H 1 6.905 0.000 A 37 ASN HD2y H 1 7.637 0.000 A 37 ASN CA C 13 55.094 0.000 A 37 ASN CB C 13 35.754 0.000 A 37 ASN N N 15 126.536 0.000 A 37 ASN ND2 N 15 112.729 0.000 A 38 THR H H 1 7.762 0.000 A 38 THR HA H 1 4.850 0.000 A 38 THR HB H 1 3.918 0.000 A 38 THR HG2% H 1 1.039 0.000 A 38 THR CA C 13 58.536 0.000 A 38 THR CB C 13 69.085 0.000 A 38 THR CG2 C 13 18.571 0.000 A 38 THR N N 15 112.460 0.000 A 39 LEU H H 1 8.572 0.000 A 39 LEU HA H 1 4.543 0.000 A 39 LEU HBy H 1 1.635 0.000 A 39 LEU HBx H 1 0.939 0.000 A 39 LEU HDx% H 1 0.589 0.000 A 39 LEU HDy% H 1 0.712 0.000 A 39 LEU HG H 1 1.480 0.000 A 39 LEU CA C 13 51.785 0.000 A 39 LEU CB C 13 42.341 0.000 A 39 LEU CDy C 13 24.194 0.000 A 39 LEU CDx C 13 20.765 0.000 A 39 LEU CG C 13 24.250 0.000 A 39 LEU N N 15 126.316 0.000 A 40 GLY H H 1 9.303 0.000 A 40 GLY HAx H 1 3.688 0.000 A 40 GLY HAy H 1 4.239 0.000 A 40 GLY CA C 13 42.265 0.000 A 40 GLY N N 15 116.669 0.000 A 41 SER H H 1 7.883 0.000 A 41 SER HA H 1 3.612 0.000 A 41 SER HBx H 1 3.306 0.000 A 41 SER HBy H 1 3.306 0.000 A 41 SER CA C 13 56.211 0.000 A 41 SER CB C 13 60.482 0.000 A 41 SER N N 15 113.384 0.000 A 42 HIS H H 1 7.882 0.000 A 42 HIS HA H 1 4.432 0.000 A 42 HIS HBx H 1 3.342 0.000 A 42 HIS HBy H 1 3.342 0.000 A 42 HIS HD2 H 1 7.003 0.000 A 42 HIS HE1 H 1 7.894 0.000 A 42 HIS CA C 13 55.004 0.000 A 42 HIS CB C 13 23.445 0.000 A 42 HIS CD2 C 13 116.437 0.000 A 42 HIS CE1 C 13 132.661 0.000 A 42 HIS N N 15 120.045 0.000 A 43 ASP H H 1 7.906 0.000 A 43 ASP HA H 1 5.037 0.000 A 43 ASP HBy H 1 2.629 0.000 A 43 ASP HBx H 1 2.527 0.000 A 43 ASP CA C 13 50.078 0.000 A 43 ASP CB C 13 40.709 0.000 A 43 ASP N N 15 119.308 0.000 A 44 SER H H 1 8.396 0.000 A 44 SER HA H 1 5.617 0.000 A 44 SER HBx H 1 3.521 0.000 A 44 SER HBy H 1 3.558 0.000 A 44 SER CA C 13 53.597 0.000 A 44 SER CB C 13 65.207 0.000 A 44 SER N N 15 111.544 0.000 A 45 ILE H H 1 8.726 0.000 A 45 ILE HA H 1 4.510 0.000 A 45 ILE HB H 1 1.728 0.000 A 45 ILE HD1% H 1 0.972 0.000 A 45 ILE HG1y H 1 1.562 0.000 A 45 ILE HG1x H 1 1.131 0.000 A 45 ILE HG2% H 1 0.902 0.000 A 45 ILE CA C 13 57.040 0.000 A 45 ILE CB C 13 39.246 0.000 A 45 ILE CD1 C 13 12.098 0.000 A 45 ILE CG1 C 13 26.294 0.000 A 45 ILE CG2 C 13 15.053 0.000 A 45 ILE N N 15 119.898 0.000 A 46 ASP H H 1 7.891 0.000 A 46 ASP HA H 1 5.521 0.000 A 46 ASP HBy H 1 2.336 0.000 A 46 ASP HBx H 1 2.172 0.000 A 46 ASP CA C 13 49.373 0.000 A 46 ASP CB C 13 40.812 0.000 A 46 ASP N N 15 123.866 0.000 A 47 PHE H H 1 8.654 0.000 A 47 PHE HA H 1 4.773 0.000 A 47 PHE HBx H 1 2.927 0.000 A 47 PHE HBy H 1 3.163 0.000 A 47 PHE HDx H 1 6.762 0.000 A 47 PHE HDy H 1 6.762 0.000 A 47 PHE HEx H 1 6.617 0.000 A 47 PHE HEy H 1 6.617 0.000 A 47 PHE HZ H 1 6.583 0.000 A 47 PHE CA C 13 53.088 0.000 A 47 PHE CB C 13 37.740 0.000 A 47 PHE CDx C 13 129.915 0.000 A 47 PHE CDy C 13 129.920 0.000 A 47 PHE CEx C 13 127.663 0.000 A 47 PHE CEy C 13 127.663 0.000 A 47 PHE CZ C 13 124.774 0.000 A 47 PHE N N 15 116.649 0.000 A 48 SER H H 1 8.667 0.000 A 48 SER HA H 1 4.729 0.000 A 48 SER HBx H 1 3.826 0.000 A 48 SER HBy H 1 3.858 0.000 A 48 SER CA C 13 49.403 0.000 A 48 SER CB C 13 61.957 0.000 A 48 SER N N 15 114.033 0.000 A 49 SER H H 1 8.644 0.000 A 49 SER HA H 1 4.357 0.000 A 49 SER HBy H 1 3.507 0.000 A 49 SER HBx H 1 3.064 0.000 A 49 SER CA C 13 55.003 0.000 A 49 SER CB C 13 61.708 0.000 A 49 SER N N 15 119.169 0.000 A 50 ASP H H 1 8.743 0.000 A 50 ASP HA H 1 4.445 0.000 A 50 ASP HBx H 1 2.722 0.000 A 50 ASP HBy H 1 2.959 0.000 A 50 ASP CA C 13 52.432 0.000 A 50 ASP CB C 13 38.122 0.000 A 50 ASP N N 15 120.389 0.000 A 51 ALA H H 1 8.178 0.000 A 51 ALA HA H 1 4.626 0.000 A 51 ALA HB% H 1 1.385 0.000 A 51 ALA CA C 13 48.702 0.000 A 51 ALA CB C 13 19.196 0.000 A 51 ALA N N 15 120.149 0.000 A 52 GLY H H 1 8.465 0.000 A 52 GLY HAy H 1 3.946 0.000 A 52 GLY HAx H 1 3.889 0.000 A 52 GLY CA C 13 42.867 0.000 A 52 GLY N N 15 106.575 0.000 A 53 SER H H 1 7.606 0.000 A 53 SER HA H 1 4.371 0.000 A 53 SER HBy H 1 3.806 0.000 A 53 SER HBx H 1 3.769 0.000 A 53 SER CA C 13 55.270 0.000 A 53 SER CB C 13 61.515 0.000 A 53 SER N N 15 111.247 0.000 A 54 VAL H H 1 8.587 0.000 A 54 VAL HA H 1 4.306 0.000 A 54 VAL HB H 1 1.765 0.000 A 54 VAL HGx% H 1 0.444 0.000 A 54 VAL HGy% H 1 0.637 0.000 A 54 VAL CA C 13 59.775 0.000 A 54 VAL CB C 13 29.693 0.000 A 54 VAL CGx C 13 19.260 0.000 A 54 VAL CGy C 13 19.418 0.000 A 54 VAL N N 15 124.481 0.000 A 55 TYR H H 1 8.586 0.000 A 55 TYR HA H 1 5.181 0.000 A 55 TYR HBy H 1 3.288 0.000 A 55 TYR HBx H 1 2.830 0.000 A 55 TYR HDx H 1 6.994 0.000 A 55 TYR HDy H 1 6.994 0.000 A 55 TYR HEx H 1 6.769 0.000 A 55 TYR HEy H 1 6.769 0.000 A 55 TYR CA C 13 53.682 0.000 A 55 TYR CB C 13 36.877 0.000 A 55 TYR CDx C 13 131.869 0.000 A 55 TYR CDy C 13 131.869 0.000 A 55 TYR CEy C 13 115.002 0.000 A 55 TYR CEx C 13 114.998 0.000 A 55 TYR N N 15 122.616 0.000 A 56 LYS H H 1 7.276 0.000 A 56 LYS HA H 1 4.756 0.000 A 56 LYS HBx H 1 1.842 0.000 A 56 LYS HBy H 1 2.117 0.000 A 56 LYS HDx H 1 1.734 0.000 A 56 LYS HDy H 1 1.802 0.000 A 56 LYS HEx H 1 3.020 0.000 A 56 LYS HEy H 1 3.020 0.000 A 56 LYS HGy H 1 1.426 0.000 A 56 LYS HGx H 1 1.336 0.000 A 56 LYS CA C 13 53.406 0.000 A 56 LYS CB C 13 32.473 0.000 A 56 LYS CD C 13 27.171 0.000 A 56 LYS CE C 13 39.411 0.000 A 56 LYS CG C 13 20.815 0.000 A 56 LYS N N 15 121.197 0.000 A 57 MET H H 1 8.637 0.000 A 57 MET HA H 1 5.440 0.000 A 57 MET HBy H 1 1.915 0.000 A 57 MET HBx H 1 1.574 0.000 A 57 MET HE% H 1 1.408 0.000 A 57 MET HGy H 1 2.379 0.000 A 57 MET HGx H 1 2.098 0.000 A 57 MET CA C 13 52.893 0.000 A 57 MET CB C 13 35.646 0.000 A 57 MET CE C 13 14.810 0.000 A 57 MET CG C 13 29.200 0.000 A 57 MET N N 15 122.040 0.000 A 58 ASP H H 1 9.367 0.000 A 58 ASP HA H 1 5.740 0.000 A 58 ASP HBx H 1 2.653 0.000 A 58 ASP HBy H 1 2.653 0.000 A 58 ASP CA C 13 50.784 0.000 A 58 ASP CB C 13 42.339 0.000 A 58 ASP N N 15 125.086 0.000 A 59 VAL H H 1 8.890 0.000 A 59 VAL HA H 1 5.058 0.000 A 59 VAL HB H 1 1.833 0.000 A 59 VAL HGx% H 1 0.799 0.000 A 59 VAL HGy% H 1 0.935 0.000 A 59 VAL CA C 13 58.103 0.000 A 59 VAL CB C 13 33.782 0.000 A 59 VAL CGx C 13 18.472 0.000 A 59 VAL CGy C 13 19.095 0.000 A 59 VAL N N 15 120.817 0.000 A 60 THR H H 1 8.578 0.000 A 60 THR HA H 1 5.125 0.000 A 60 THR HB H 1 4.065 0.000 A 60 THR HG2% H 1 1.141 0.000 A 60 THR CA C 13 56.923 0.000 A 60 THR CB C 13 68.946 0.000 A 60 THR CG2 C 13 18.421 0.000 A 60 THR N N 15 120.028 0.000 A 61 GLY H H 1 7.330 0.000 A 61 GLY HAx H 1 2.997 0.000 A 61 GLY HAy H 1 4.164 0.000 A 61 GLY CA C 13 43.194 0.000 A 61 GLY N N 15 108.812 0.000 A 62 THR H H 1 8.013 0.000 A 62 THR HA H 1 5.333 0.000 A 62 THR HB H 1 3.693 0.000 A 62 THR HG2% H 1 1.114 0.000 A 62 THR CA C 13 57.514 0.000 A 62 THR CB C 13 69.348 0.000 A 62 THR CG2 C 13 18.697 0.000 A 62 THR N N 15 111.342 0.000 A 63 THR H H 1 9.432 0.000 A 63 THR HA H 1 4.751 0.000 A 63 THR HB H 1 4.416 0.000 A 63 THR HG2% H 1 1.295 0.000 A 63 THR CA C 13 58.700 0.000 A 63 THR CB C 13 68.654 0.000 A 63 THR CG2 C 13 20.036 0.000 A 63 THR N N 15 115.003 0.000 A 64 GLN H H 1 8.037 0.000 A 64 GLN HA H 1 3.842 0.000 A 64 GLN HBy H 1 2.358 0.000 A 64 GLN HBx H 1 1.975 0.000 A 64 GLN HE2x H 1 6.895 0.000 A 64 GLN HE2y H 1 7.525 0.000 A 64 GLN HGx H 1 2.365 0.000 A 64 GLN HGy H 1 2.365 0.000 A 64 GLN CA C 13 56.272 0.000 A 64 GLN CB C 13 26.086 0.000 A 64 GLN CG C 13 30.619 0.000 A 64 GLN N N 15 120.671 0.000 A 64 GLN NE2 N 15 112.157 0.000 A 65 SER H H 1 7.670 0.000 A 65 SER HA H 1 4.351 0.000 A 65 SER HBx H 1 3.676 0.000 A 65 SER HBy H 1 4.001 0.000 A 65 SER CA C 13 55.577 0.000 A 65 SER CB C 13 60.350 0.000 A 65 SER N N 15 110.096 0.000 A 66 GLY H H 1 7.810 0.000 A 66 GLY HAx H 1 3.406 0.000 A 66 GLY HAy H 1 4.284 0.000 A 66 GLY CA C 13 42.650 0.000 A 66 GLY N N 15 109.466 0.000 A 67 GLU H H 1 7.518 0.000 A 67 GLU HA H 1 4.303 0.000 A 67 GLU HBy H 1 2.002 0.000 A 67 GLU HBx H 1 1.899 0.000 A 67 GLU HGx H 1 2.175 0.000 A 67 GLU HGy H 1 2.175 0.000 A 67 GLU CA C 13 53.919 0.000 A 67 GLU CB C 13 27.030 0.000 A 67 GLU CG C 13 33.462 0.000 A 67 GLU N N 15 121.149 0.000 A 68 LYS H H 1 8.631 0.000 A 68 LYS HA H 1 4.886 0.000 A 68 LYS HBy H 1 1.738 0.000 A 68 LYS HBx H 1 1.676 0.000 A 68 LYS HDx H 1 1.543 0.000 A 68 LYS HDy H 1 1.543 0.000 A 68 LYS HEx H 1 2.836 0.000 A 68 LYS HEy H 1 2.836 0.000 A 68 LYS HGx H 1 1.273 0.000 A 68 LYS HGy H 1 1.395 0.000 A 68 LYS CA C 13 53.002 0.000 A 68 LYS CB C 13 31.499 0.000 A 68 LYS CD C 13 26.732 0.000 A 68 LYS CE C 13 39.421 0.000 A 68 LYS CG C 13 22.433 0.000 A 68 LYS N N 15 124.553 0.000 A 69 PHE H H 1 8.180 0.000 A 69 PHE HA H 1 5.162 0.000 A 69 PHE HBy H 1 2.829 0.000 A 69 PHE HBx H 1 2.768 0.000 A 69 PHE HDx H 1 6.707 0.000 A 69 PHE HDy H 1 6.707 0.000 A 69 PHE HEx H 1 6.686 0.000 A 69 PHE HEy H 1 6.686 0.000 A 69 PHE HZ H 1 6.720 0.000 A 69 PHE CA C 13 52.610 0.000 A 69 PHE CB C 13 39.531 0.000 A 69 PHE CDx C 13 130.489 0.000 A 69 PHE CDy C 13 130.489 0.000 A 69 PHE CEx C 13 126.531 0.000 A 69 PHE CEy C 13 126.531 0.000 A 69 PHE CZ C 13 124.891 0.000 A 69 PHE N N 15 119.363 0.000 A 70 THR H H 1 8.623 0.000 A 70 THR HA H 1 5.331 0.000 A 70 THR HB H 1 3.839 0.000 A 70 THR HG2% H 1 0.980 0.000 A 70 THR CA C 13 57.694 0.000 A 70 THR CB C 13 69.969 0.000 A 70 THR CG2 C 13 18.795 0.000 A 70 THR N N 15 113.468 0.000 A 71 GLY H H 1 8.955 0.000 A 71 GLY HAy H 1 4.380 0.000 A 71 GLY HAx H 1 3.301 0.000 A 71 GLY CA C 13 42.758 0.000 A 71 GLY N N 15 110.469 0.000 A 72 HIS H H 1 8.162 0.000 A 72 HIS HA H 1 5.286 0.000 A 72 HIS HBy H 1 3.005 0.000 A 72 HIS HBx H 1 2.939 0.000 A 72 HIS HD2 H 1 7.145 0.000 A 72 HIS HE1 H 1 8.438 0.000 A 72 HIS CA C 13 51.920 0.000 A 72 HIS CB C 13 28.409 0.000 A 72 HIS CD2 C 13 118.319 0.000 A 72 HIS CE1 C 13 133.741 0.000 A 72 HIS N N 15 121.565 0.000 A 73 PHE H H 1 9.117 0.000 A 73 PHE HA H 1 4.994 0.000 A 73 PHE HBy H 1 3.072 0.000 A 73 PHE HBx H 1 2.778 0.000 A 73 PHE HDx H 1 7.139 0.000 A 73 PHE HDy H 1 7.139 0.000 A 73 PHE HEx H 1 7.083 0.000 A 73 PHE HEy H 1 7.083 0.000 A 73 PHE HZ H 1 7.091 0.000 A 73 PHE CA C 13 54.002 0.000 A 73 PHE CB C 13 40.278 0.000 A 73 PHE CDx C 13 130.150 0.000 A 73 PHE CDy C 13 130.153 0.000 A 73 PHE CEx C 13 127.706 0.000 A 73 PHE CEy C 13 127.706 0.000 A 73 PHE CZ C 13 126.443 0.000 A 73 PHE N N 15 122.114 0.000 A 74 LYS H H 1 8.889 0.000 A 74 LYS HA H 1 4.876 0.000 A 74 LYS HBx H 1 1.845 0.000 A 74 LYS HBy H 1 1.918 0.000 A 74 LYS HDx H 1 1.657 0.000 A 74 LYS HDy H 1 1.657 0.000 A 74 LYS HEx H 1 2.949 0.000 A 74 LYS HEy H 1 2.949 0.000 A 74 LYS HGx H 1 1.334 0.000 A 74 LYS HGy H 1 1.415 0.000 A 74 LYS CA C 13 52.801 0.000 A 74 LYS CB C 13 32.741 0.000 A 74 LYS CD C 13 26.863 0.000 A 74 LYS CE C 13 39.670 0.000 A 74 LYS CG C 13 21.618 0.000 A 74 LYS N N 15 122.834 0.000 A 75 GLY H H 1 8.418 0.000 A 75 GLY HAx H 1 3.907 0.000 A 75 GLY HAy H 1 3.907 0.000 A 75 GLY CA C 13 44.235 0.000 A 75 GLY N N 15 109.821 0.000 A 76 LEU H H 1 7.893 0.000 A 76 LEU HA H 1 4.340 0.000 A 76 LEU HBx H 1 1.350 0.000 A 76 LEU HBy H 1 1.676 0.000 A 76 LEU HDx% H 1 0.532 0.000 A 76 LEU HDy% H 1 0.707 0.000 A 76 LEU HG H 1 1.267 0.000 A 76 LEU CA C 13 52.374 0.000 A 76 LEU CB C 13 39.659 0.000 A 76 LEU CDy C 13 23.222 0.000 A 76 LEU CDx C 13 20.343 0.000 A 76 LEU CG C 13 24.755 0.000 A 76 LEU N N 15 119.557 0.000 A 77 VAL H H 1 8.583 0.000 A 77 VAL HA H 1 4.393 0.000 A 77 VAL HB H 1 2.020 0.000 A 77 VAL HGx% H 1 0.828 0.000 A 77 VAL HGy% H 1 0.797 0.000 A 77 VAL CA C 13 58.445 0.000 A 77 VAL CB C 13 32.212 0.000 A 77 VAL CGy C 13 18.933 0.000 A 77 VAL CGx C 13 17.104 0.000 A 77 VAL N N 15 118.411 0.000 A 78 GLY H H 1 8.218 0.000 A 78 GLY HAx H 1 3.819 0.000 A 78 GLY HAy H 1 4.246 0.000 A 78 GLY CA C 13 41.998 0.000 A 78 GLY N N 15 111.284 0.000 A 79 LYS H H 1 8.347 0.000 A 79 LYS HA H 1 4.277 0.000 A 79 LYS HBy H 1 1.784 0.000 A 79 LYS HBx H 1 1.697 0.000 A 79 LYS HDx H 1 1.584 0.000 A 79 LYS HDy H 1 1.584 0.000 A 79 LYS HEx H 1 2.903 0.000 A 79 LYS HEy H 1 2.903 0.000 A 79 LYS HGx H 1 1.333 0.000 A 79 LYS HGy H 1 1.333 0.000 A 79 LYS CA C 13 54.451 0.000 A 79 LYS CB C 13 30.277 0.000 A 79 LYS CD C 13 26.516 0.000 A 79 LYS CE C 13 39.594 0.000 A 79 LYS CG C 13 22.137 0.000 A 79 LYS N N 15 120.895 0.000 A 80 ASP H H 1 7.993 0.000 A 80 ASP HA H 1 4.807 0.000 A 80 ASP HBy H 1 2.554 0.000 A 80 ASP HBx H 1 2.397 0.000 A 80 ASP CA C 13 51.234 0.000 A 80 ASP CB C 13 39.024 0.000 A 80 ASP N N 15 119.681 0.000 A 81 THR H H 1 8.002 0.000 A 81 THR HA H 1 4.076 0.000 A 81 THR HB H 1 3.405 0.000 A 81 THR HG2% H 1 0.724 0.000 A 81 THR CA C 13 60.371 0.000 A 81 THR CB C 13 67.694 0.000 A 81 THR CG2 C 13 19.519 0.000 A 81 THR N N 15 118.659 0.000 A 82 ARG H H 1 8.183 0.000 A 82 ARG HA H 1 4.597 0.000 A 82 ARG HBy H 1 1.553 0.000 A 82 ARG HBx H 1 1.144 0.000 A 82 ARG HDy H 1 3.061 0.000 A 82 ARG HDx H 1 2.971 0.000 A 82 ARG HGy H 1 1.422 0.000 A 82 ARG HGx H 1 1.212 0.000 A 82 ARG CA C 13 52.171 0.000 A 82 ARG CB C 13 29.608 0.000 A 82 ARG CD C 13 41.074 0.000 A 82 ARG CG C 13 25.040 0.000 A 82 ARG N N 15 127.944 0.000 A 83 VAL H H 1 8.639 0.000 A 83 VAL HA H 1 4.064 0.000 A 83 VAL HB H 1 1.835 0.000 A 83 VAL HGx% H 1 0.466 0.000 A 83 VAL HGy% H 1 0.348 0.000 A 83 VAL CA C 13 57.675 0.000 A 83 VAL CB C 13 30.315 0.000 A 83 VAL CGy C 13 18.991 0.000 A 83 VAL CGx C 13 17.785 0.000 A 83 VAL N N 15 121.617 0.000 A 84 PHE H H 1 9.198 0.000 A 84 PHE HA H 1 4.967 0.000 A 84 PHE HBx H 1 2.625 0.000 A 84 PHE HBy H 1 2.625 0.000 A 84 PHE HDx H 1 6.969 0.000 A 84 PHE HDy H 1 7.098 0.000 A 84 PHE HEx H 1 7.131 0.000 A 84 PHE HEy H 1 7.131 0.000 A 84 PHE CA C 13 53.799 0.000 A 84 PHE CB C 13 38.688 0.000 A 84 PHE CDx C 13 128.663 0.000 A 84 PHE CDy C 13 128.663 0.000 A 84 PHE CEy C 13 126.810 0.000 A 84 PHE CEx C 13 126.808 0.000 A 84 PHE N N 15 124.702 0.000 A 85 ILE H H 1 8.650 0.000 A 85 ILE HA H 1 4.447 0.000 A 85 ILE HB H 1 1.689 0.000 A 85 ILE HD1% H 1 0.559 0.000 A 85 ILE HG1x H 1 0.613 0.000 A 85 ILE HG1y H 1 1.355 0.000 A 85 ILE HG2% H 1 0.120 0.000 A 85 ILE CA C 13 57.913 0.000 A 85 ILE CB C 13 35.870 0.000 A 85 ILE CD1 C 13 11.665 0.000 A 85 ILE CG1 C 13 24.678 0.000 A 85 ILE CG2 C 13 15.123 0.000 A 85 ILE N N 15 123.027 0.000 A 86 GLU H H 1 8.754 0.000 A 86 GLU HA H 1 4.575 0.000 A 86 GLU HBy H 1 1.906 0.000 A 86 GLU HBx H 1 1.769 0.000 A 86 GLU HGy H 1 2.152 0.000 A 86 GLU HGx H 1 2.053 0.000 A 86 GLU CA C 13 51.531 0.000 A 86 GLU CB C 13 31.527 0.000 A 86 GLU CG C 13 31.960 0.000 A 86 GLU N N 15 124.137 0.000 A 87 LEU H H 1 8.394 0.000 A 87 LEU HA H 1 4.861 0.000 A 87 LEU HBy H 1 1.622 0.000 A 87 LEU HBx H 1 1.311 0.000 A 87 LEU HDx% H 1 0.698 0.000 A 87 LEU HDy% H 1 0.817 0.000 A 87 LEU HG H 1 1.438 0.000 A 87 LEU CA C 13 51.130 0.000 A 87 LEU CB C 13 41.260 0.000 A 87 LEU CDx C 13 21.377 0.000 A 87 LEU CDy C 13 23.344 0.000 A 87 LEU CG C 13 24.720 0.000 A 87 LEU N N 15 120.087 0.000 A 88 ASP H H 1 8.770 0.000 A 88 ASP HA H 1 4.659 0.000 A 88 ASP HBy H 1 3.299 0.000 A 88 ASP HBx H 1 2.549 0.000 A 88 ASP CA C 13 49.219 0.000 A 88 ASP CB C 13 39.107 0.000 A 88 ASP N N 15 123.072 0.000 A 89 GLU H H 1 9.033 0.000 A 89 GLU HA H 1 4.076 0.000 A 89 GLU HBx H 1 1.993 0.000 A 89 GLU HBy H 1 1.993 0.000 A 89 GLU HGx H 1 2.182 0.000 A 89 GLU HGy H 1 2.205 0.000 A 89 GLU CA C 13 55.988 0.000 A 89 GLU CB C 13 26.162 0.000 A 89 GLU CG C 13 33.006 0.000 A 89 GLU N N 15 117.437 0.000 A 90 ASN H H 1 8.351 0.000 A 90 ASN HA H 1 4.786 0.000 A 90 ASN HBx H 1 2.780 0.000 A 90 ASN HBy H 1 2.875 0.000 A 90 ASN HD2x H 1 6.829 0.000 A 90 ASN HD2y H 1 8.139 0.000 A 90 ASN CA C 13 50.170 0.000 A 90 ASN CB C 13 36.696 0.000 A 90 ASN N N 15 118.824 0.000 A 90 ASN ND2 N 15 116.015 0.000 A 91 ALA H H 1 8.284 0.000 A 91 ALA HA H 1 3.752 0.000 A 91 ALA HB% H 1 1.540 0.000 A 91 ALA CA C 13 51.255 0.000 A 91 ALA CB C 13 13.918 0.000 A 91 ALA N N 15 118.167 0.000 A 92 ASP H H 1 8.215 0.000 A 92 ASP HA H 1 4.932 0.000 A 92 ASP HBx H 1 2.513 0.000 A 92 ASP HBy H 1 2.836 0.000 A 92 ASP CA C 13 50.816 0.000 A 92 ASP CB C 13 39.170 0.000 A 92 ASP N N 15 118.574 0.000 A 93 VAL H H 1 8.440 0.000 A 93 VAL HA H 1 4.069 0.000 A 93 VAL HB H 1 1.648 0.000 A 93 VAL HGx% H 1 0.739 0.000 A 93 VAL HGy% H 1 0.120 0.000 A 93 VAL CA C 13 60.454 0.000 A 93 VAL CB C 13 28.988 0.000 A 93 VAL CGy C 13 20.324 0.000 A 93 VAL CGx C 13 19.758 0.000 A 93 VAL N N 15 121.604 0.000 A 94 GLN H H 1 8.958 0.000 A 94 GLN HA H 1 4.761 0.000 A 94 GLN HBx H 1 1.580 0.000 A 94 GLN HBy H 1 1.914 0.000 A 94 GLN HE2x H 1 6.719 0.000 A 94 GLN HE2y H 1 7.291 0.000 A 94 GLN HGy H 1 2.329 0.000 A 94 GLN HGx H 1 2.235 0.000 A 94 GLN CA C 13 50.314 0.000 A 94 GLN CB C 13 29.399 0.000 A 94 GLN CG C 13 29.611 0.000 A 94 GLN N N 15 125.344 0.000 A 94 GLN NE2 N 15 110.491 0.000 A 95 VAL H H 1 8.420 0.000 A 95 VAL HA H 1 5.061 0.000 A 95 VAL HB H 1 1.873 0.000 A 95 VAL HGx% H 1 0.769 0.000 A 95 VAL HGy% H 1 0.796 0.000 A 95 VAL CA C 13 57.280 0.000 A 95 VAL CB C 13 30.926 0.000 A 95 VAL CGx C 13 19.265 0.000 A 95 VAL CGy C 13 19.749 0.000 A 95 VAL N N 15 119.370 0.000 A 96 PHE H H 1 9.314 0.000 A 96 PHE HA H 1 5.032 0.000 A 96 PHE HBx H 1 2.889 0.000 A 96 PHE HBy H 1 2.889 0.000 A 96 PHE HDx H 1 7.012 0.000 A 96 PHE HDy H 1 7.012 0.000 A 96 PHE CA C 13 53.890 0.000 A 96 PHE CB C 13 40.503 0.000 A 96 PHE CDx C 13 129.178 0.000 A 96 PHE CDy C 13 129.178 0.000 A 96 PHE N N 15 126.219 0.000 A 97 ILE H H 1 7.613 0.000 A 97 ILE HA H 1 4.814 0.000 A 97 ILE HB H 1 1.100 0.000 A 97 ILE HD1% H 1 -0.046 0.000 A 97 ILE HG1y H 1 0.578 0.000 A 97 ILE HG1x H 1 0.422 0.000 A 97 ILE HG2% H 1 0.562 0.000 A 97 ILE CA C 13 55.066 0.000 A 97 ILE CB C 13 37.277 0.000 A 97 ILE CD1 C 13 12.091 0.000 A 97 ILE CG1 C 13 24.397 0.000 A 97 ILE CG2 C 13 13.895 0.000 A 97 ILE N N 15 123.424 0.000 A 98 PRO HA H 1 4.270 0.000 A 98 PRO HBy H 1 2.158 0.000 A 98 PRO HBx H 1 1.856 0.000 A 98 PRO HDy H 1 4.107 0.000 A 98 PRO HDx H 1 3.177 0.000 A 98 PRO HGy H 1 1.848 0.000 A 98 PRO HGx H 1 1.639 0.000 A 98 PRO CA C 13 59.998 0.000 A 98 PRO CB C 13 29.657 0.000 A 98 PRO CD C 13 48.106 0.000 A 98 PRO CG C 13 24.612 0.000 A 99 GLN H H 1 8.507 0.000 A 99 GLN HA H 1 4.455 0.000 A 99 GLN HBx H 1 1.968 0.000 A 99 GLN HBy H 1 2.082 0.000 A 99 GLN HE2x H 1 6.995 0.000 A 99 GLN HE2y H 1 7.536 0.000 A 99 GLN HGx H 1 2.327 0.000 A 99 GLN HGy H 1 2.327 0.000 A 99 GLN CA C 13 52.620 0.000 A 99 GLN CB C 13 28.443 0.000 A 99 GLN CG C 13 31.505 0.000 A 99 GLN N N 15 121.028 0.000 A 99 GLN NE2 N 15 113.418 0.000 A 100 GLY H H 1 8.356 0.000 A 100 GLY HAx H 1 3.916 0.000 A 100 GLY HAy H 1 3.960 0.000 A 100 GLY CA C 13 42.628 0.000 A 100 GLY N N 15 110.029 0.000 A 101 GLU H H 1 8.378 0.000 A 101 GLU HA H 1 4.291 0.000 A 101 GLU HBx H 1 2.004 0.000 A 101 GLU HBy H 1 2.004 0.000 A 101 GLU HGx H 1 2.210 0.000 A 101 GLU HGy H 1 2.210 0.000 A 101 GLU CA C 13 53.751 0.000 A 101 GLU CB C 13 27.830 0.000 A 101 GLU CG C 13 33.615 0.000 A 101 GLU N N 15 120.385 0.000 A 102 ILE H H 1 8.168 0.000 A 102 ILE HA H 1 4.166 0.000 A 102 ILE HB H 1 1.818 0.000 A 102 ILE HD1% H 1 0.774 0.000 A 102 ILE HG1y H 1 1.369 0.000 A 102 ILE HG1x H 1 1.070 0.000 A 102 ILE HG2% H 1 0.836 0.000 A 102 ILE CA C 13 58.368 0.000 A 102 ILE CB C 13 36.713 0.000 A 102 ILE CD1 C 13 10.601 0.000 A 102 ILE CG1 C 13 24.399 0.000 A 102 ILE CG2 C 13 15.081 0.000 A 102 ILE N N 15 120.838 0.000 A 103 ASP H H 1 7.898 0.000 A 103 ASP HA H 1 4.306 0.000 A 103 ASP HBy H 1 2.570 0.000 A 103 ASP HBx H 1 2.484 0.000 A 103 ASP CA C 13 53.032 0.000 A 103 ASP CB C 13 39.618 0.000 A 103 ASP N N 15 129.090 0.000 stop_ save_ save_DYANA/DIANA_distance_constraints_2 _nef_distance_restraint_list.sf_category nef_distance_restraint_list _nef_distance_restraint_list.sf_framecode DYANA/DIANA_distance_constraints_2 _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 28 TRP HE1 A 32 LYS HDy 1.0 . 5.50 2 2 A 28 TRP HE1 A 32 LYS HEy 1.0 . 5.50 3 3 A 28 TRP HE1 A 49 SER HBx 1.0 . 5.50 4 4 A 28 TRP HE1 A 51 ALA HB% 1.0 . 5.50 5 5 A 28 TRP HE1 A 49 SER H 1.0 . 5.50 6 6 A 26 VAL H A 34 GLN HA 1.0 . 5.50 7 7 A 26 VAL H A 47 PHE HE% 1.0 . 5.50 8 8 A 26 VAL H A 35 THR HA 1.0 . 4.04 9 9 A 26 VAL H A 35 THR HB 1.0 . 5.50 10 10 A 25 LYS H A 62 THR H 1.0 . 5.50 11 11 A 25 LYS H A 24 ILE H 1.0 . 5.19 12 12 A 25 LYS H A 69 PHE HE% 1.0 . 5.50 13 13 A 25 LYS H A 59 VAL HA 1.0 . 5.33 14 14 A 25 LYS H A 24 ILE HA 1.0 . 3.15 15 15 A 25 LYS H A 61 GLY HAy 1.0 . 4.37 16 16 A 25 LYS H A 24 ILE HB 1.0 . 4.83 17 17 A 25 LYS H A 25 LYS HGx 1.0 . 4.07 18 17 A 25 LYS H A 25 LYS HGy 1.0 . 4.07 19 18 A 26 VAL H A 34 GLN HGy 1.0 . 5.09 20 19 A 26 VAL H A 25 LYS HBy 1.0 . 4.80 21 20 A 26 VAL H A 25 LYS HBx 1.0 . 4.13 22 21 A 26 VAL H A 26 VAL HGx% 1.0 . 4.13 23 22 A 26 VAL H A 24 ILE HG2% 1.0 . 4.75 24 23 A 35 THR HB A 25 LYS H 1.0 . 5.50 25 24 A 103 ASP H A 103 ASP HBx 1.0 . 3.83 26 25 A 103 ASP H A 102 ILE HG1y 1.0 . 5.15 27 26 A 103 ASP H A 102 ILE HG2% 1.0 . 4.75 28 27 A 103 ASP H A 102 ILE HG1x 1.0 . 5.50 29 28 A 103 ASP H A 101 GLU HBx 1.0 . 5.50 30 28 A 103 ASP H A 101 GLU HBy 1.0 . 5.50 31 29 A 82 ARG H A 83 VAL H 1.0 . 4.88 32 30 A 82 ARG H A 14 ILE HD1% 1.0 . 5.50 33 31 A 82 ARG H A 81 THR H 1.0 . 4.45 34 32 A 82 ARG H A 82 ARG HBy 1.0 . 3.78 35 33 A 82 ARG H A 82 ARG HGy 1.0 . 4.30 36 34 A 82 ARG H A 11 ILE HG2% 1.0 . 5.50 37 35 A 82 ARG H A 82 ARG HBx 1.0 . 4.01 38 36 A 13 LEU H A 45 ILE HA 1.0 . 5.50 39 37 A 13 LEU H A 46 ASP H 1.0 . 5.50 40 38 A 13 LEU H A 47 PHE HD% 1.0 . 5.50 41 39 A 47 PHE HE% A 13 LEU H 1.0 . 5.50 42 40 A 13 LEU H A 44 SER HBy 1.0 . 5.14 43 41 A 13 LEU H A 12 ARG HGy 1.0 . 3.62 44 42 A 13 LEU H A 12 ARG HGx 1.0 . 4.65 45 43 A 13 LEU H A 45 ILE HG2% 1.0 . 4.59 46 44 A 11 ILE H A 48 SER HA 1.0 . 4.51 47 45 A 11 ILE H A 12 ARG H 1.0 . 5.50 48 46 A 11 ILE H A 46 ASP HA 1.0 . 5.50 49 47 A 11 ILE H A 10 THR HB 1.0 . 4.55 50 48 A 11 ILE H A 11 ILE HB 1.0 . 3.94 51 49 A 11 ILE H A 11 ILE HG1x 1.0 . 4.28 52 50 A 11 ILE H A 47 PHE HBx 1.0 . 5.50 53 51 A 37 ASN H A 37 ASN HBx 1.0 . 3.29 54 51 A 37 ASN H A 37 ASN HBy 1.0 . 3.29 55 52 A 13 LEU H A 12 ARG HDy 1.0 . 5.50 56 53 A 37 ASN H A 36 VAL HA 1.0 . 2.98 57 54 A 35 THR HG2% A 36 VAL H 1.0 . 4.02 58 55 A 96 PHE H A 97 ILE H 1.0 . 5.50 59 56 A 96 PHE H A 95 VAL HB 1.0 . 5.08 60 57 A 36 VAL H A 25 LYS HA 1.0 . 4.28 61 58 A 36 VAL H A 36 VAL HB 1.0 . 3.44 62 59 A 39 LEU H A 40 GLY H 1.0 . 4.53 63 60 A 39 LEU H A 22 LYS HA 1.0 . 4.03 64 61 A 39 LEU H A 39 LEU HBy 1.0 . 3.79 65 62 A 39 LEU H A 39 LEU HBx 1.0 . 3.59 66 63 A 39 LEU H A 39 LEU HDy% 1.0 . 4.48 67 64 A 39 LEU H A 38 THR HB 1.0 . 4.17 68 65 A 96 PHE H A 85 ILE HA 1.0 . 5.22 69 66 A 96 PHE H A 95 VAL HGx% 1.0 . 4.17 70 66 A 96 PHE H A 95 VAL HGy% 1.0 . 4.17 71 67 A 96 PHE H A 83 VAL HGx% 1.0 . 5.28 72 68 A 96 PHE H A 85 ILE HG2% 1.0 . 5.50 73 69 A 96 PHE H A 83 VAL HA 1.0 . 5.50 74 70 A 96 PHE H A 84 PHE HBx 1.0 . 5.50 75 70 A 96 PHE H A 84 PHE HBy 1.0 . 5.50 76 71 A 12 ARG H A 46 ASP HA 1.0 . 5.50 77 72 A 12 ARG H A 11 ILE HD1% 1.0 . 5.50 78 73 A 13 LEU H A 12 ARG H 1.0 . 5.08 79 74 A 12 ARG H A 82 ARG HA 1.0 . 4.15 80 75 A 12 ARG H A 81 THR HB 1.0 . 4.72 81 76 A 12 ARG H A 12 ARG HBx 1.0 . 3.79 82 77 A 12 ARG H A 11 ILE HA 1.0 . 3.25 83 78 A 12 ARG H A 11 ILE HG1y 1.0 . 4.93 84 79 A 92 ASP HBy A 94 GLN H 1.0 . 5.50 85 80 A 94 GLN H A 94 GLN HGx 1.0 . 4.58 86 81 A 94 GLN H A 93 VAL HGx% 1.0 . 4.14 87 82 A 94 GLN H A 86 GLU H 1.0 . 4.11 88 83 A 94 GLN H A 93 VAL H 1.0 . 4.58 89 84 A 94 GLN H A 94 GLN HBx 1.0 . 3.95 90 85 A 29 ASN H A 58 ASP H 1.0 . 5.50 91 86 A 58 ASP H A 57 MET HBx 1.0 . 5.50 92 87 A 58 ASP H A 73 PHE HD% 1.0 . 5.50 93 88 A 58 ASP H A 27 THR H 1.0 . 4.58 94 89 A 58 ASP H A 26 VAL HA 1.0 . 5.50 95 90 A 58 ASP H A 57 MET HBy 1.0 . 5.28 96 91 A 58 ASP H A 28 TRP HBx 1.0 . 5.50 97 92 A 16 GLN H A 85 ILE H 1.0 . 4.51 98 93 A 16 GLN H A 15 ASN H 1.0 . 5.17 99 94 A 16 GLN H A 15 ASN HBy 1.0 . 5.19 100 95 A 16 GLN H A 16 GLN HGy 1.0 . 4.01 101 96 A 16 GLN H A 85 ILE HG1y 1.0 . 5.50 102 97 A 83 VAL HB A 84 PHE H 1.0 . 5.10 103 98 A 84 PHE H A 97 ILE HA 1.0 . 4.94 104 99 A 84 PHE H A 97 ILE HD1% 1.0 . 5.50 105 100 A 83 VAL H A 84 PHE H 1.0 . 4.59 106 101 A 84 PHE H A 98 PRO HDx 1.0 . 5.50 107 102 A 84 PHE H A 96 PHE HBx 1.0 . 3.77 108 102 A 84 PHE H A 96 PHE HBy 1.0 . 3.77 109 103 A 84 PHE H A 84 PHE HBx 1.0 . 4.11 110 103 A 84 PHE HBy A 84 PHE H 1.0 . 4.11 111 104 A 14 ILE HD1% A 84 PHE H 1.0 . 5.50 112 105 A 68 LYS H A 69 PHE H 1.0 . 5.07 113 106 A 68 LYS H A 62 THR HA 1.0 . 5.32 114 107 A 68 LYS H A 67 GLU HBy 1.0 . 3.81 115 108 A 68 LYS H A 68 LYS HBy 1.0 . 3.17 116 109 A 68 LYS H A 63 THR HG2% 1.0 . 4.63 117 110 A 54 VAL H A 54 VAL HGy% 1.0 . 5.25 118 111 A 54 VAL H A 53 SER H 1.0 . 5.16 119 112 A 54 VAL H A 9 THR HG2% 1.0 . 5.50 120 113 A 86 GLU H A 85 ILE HG1y 1.0 . 5.50 121 114 A 86 GLU H A 85 ILE HG1x 1.0 . 4.64 122 115 A 96 PHE H A 86 GLU H 1.0 . 5.50 123 116 A 86 GLU H A 95 VAL HA 1.0 . 4.31 124 117 A 86 GLU H A 93 VAL HA 1.0 . 5.34 125 118 A 86 GLU H A 86 GLU HGy 1.0 . 4.40 126 119 A 86 GLU H A 17 THR HG2% 1.0 . 4.44 127 120 A 46 ASP H A 47 PHE HD% 1.0 . 5.50 128 121 A 46 ASP H A 46 ASP HBy 1.0 . 3.58 129 122 A 46 ASP H A 46 ASP HBx 1.0 . 3.94 130 123 A 46 ASP H A 45 ILE HB 1.0 . 3.94 131 124 A 12 ARG HDy A 14 ILE H 1.0 . 5.50 132 125 A 14 ILE H A 44 SER HA 1.0 . 5.50 133 126 A 83 VAL H A 14 ILE H 1.0 . 4.28 134 127 A 14 ILE H A 44 SER HBx 1.0 . 5.26 135 128 A 83 VAL HB A 14 ILE H 1.0 . 4.34 136 129 A 14 ILE H A 13 LEU HBy 1.0 . 4.57 137 130 A 14 ILE H A 14 ILE HB 1.0 . 3.53 138 131 A 14 ILE H A 14 ILE HG1y 1.0 . 4.19 139 132 A 14 ILE H A 14 ILE HG1x 1.0 . 3.78 140 133 A 97 ILE H A 97 ILE HG1y 1.0 . 5.50 141 134 A 97 ILE H A 97 ILE HG2% 1.0 . 5.50 142 135 A 33 GLU H A 34 GLN H 1.0 . 4.92 143 136 A 34 GLN H A 28 TRP HZ3 1.0 . 4.07 144 137 A 34 GLN H A 27 THR HA 1.0 . 4.27 145 138 A 25 LYS HA A 34 GLN H 1.0 . 4.78 146 139 A 34 GLN H A 33 GLU HGx 1.0 . 3.93 147 139 A 34 GLN H A 33 GLU HGy 1.0 . 3.93 148 140 A 34 GLN H A 33 GLU HBy 1.0 . 3.79 149 141 A 34 GLN H A 27 THR HG2% 1.0 . 4.95 150 142 A 87 LEU H A 88 ASP H 1.0 . 4.84 151 143 A 88 ASP H A 91 ALA HA 1.0 . 4.68 152 144 A 88 ASP H A 88 ASP HBx 1.0 . 3.90 153 145 A 88 ASP H A 87 LEU HBx 1.0 . 3.96 154 146 A 85 ILE H A 84 PHE HDx 1.0 . 5.50 155 147 A 15 ASN H A 14 ILE H 1.0 . 4.98 156 148 A 15 ASN H A 43 ASP H 1.0 . 4.38 157 149 A 15 ASN H A 44 SER HA 1.0 . 4.14 158 150 A 15 ASN H A 15 ASN HBy 1.0 . 3.53 159 151 A 15 ASN H A 15 ASN HBx 1.0 . 3.84 160 152 A 15 ASN H A 85 ILE HB 1.0 . 5.50 161 153 A 15 ASN H A 39 LEU HG 1.0 . 5.28 162 154 A 15 ASN H A 14 ILE HB 1.0 . 5.26 163 155 A 39 LEU HBx A 15 ASN H 1.0 . 5.37 164 156 A 14 ILE HD1% A 15 ASN H 1.0 . 5.45 165 157 A 15 ASN H A 15 ASN HD2x 1.0 . 5.38 166 158 A 28 TRP H A 32 LYS H 1.0 . 5.06 167 159 A 27 THR HA A 28 TRP H 1.0 . 3.35 168 160 A 28 TRP H A 33 GLU HA 1.0 . 4.39 169 161 A 88 ASP H A 88 ASP HBy 1.0 . 4.05 170 162 A 88 ASP H A 87 LEU HBy 1.0 . 4.17 171 163 A 92 ASP HBy A 88 ASP H 1.0 . 5.33 172 164 A 85 ILE H A 96 PHE HBx 1.0 . 5.22 173 164 A 85 ILE H A 96 PHE HBy 1.0 . 5.22 174 165 A 85 ILE H A 84 PHE H 1.0 . 5.36 175 166 A 85 ILE H A 84 PHE HBx 1.0 . 4.70 176 166 A 84 PHE HBy A 85 ILE H 1.0 . 4.70 177 167 A 85 ILE H A 85 ILE HG1y 1.0 . 4.34 178 168 A 85 ILE H A 14 ILE HG2% 1.0 . 4.45 179 169 A 85 ILE HG2% A 85 ILE H 1.0 . 4.94 180 170 A 97 ILE HD1% A 74 LYS H 1.0 . 5.50 181 171 A 74 LYS H A 76 LEU H 1.0 . 5.50 182 172 A 74 LYS H A 75 GLY HAx 1.0 . 5.50 183 172 A 74 LYS H A 75 GLY HAy 1.0 . 5.50 184 173 A 74 LYS H A 73 PHE HBy 1.0 . 4.49 185 174 A 74 LYS H A 74 LYS HGy 1.0 . 4.56 186 175 A 74 LYS H A 74 LYS HDx 1.0 . 5.50 187 175 A 74 LYS H A 74 LYS HDy 1.0 . 5.50 188 176 A 54 VAL HB A 55 TYR H 1.0 . 5.50 189 177 A 55 TYR H A 54 VAL HGx% 1.0 . 5.50 190 178 A 55 TYR H A 29 ASN HD2y 1.0 . 5.07 191 179 A 57 MET H A 73 PHE HA 1.0 . 5.50 192 180 A 73 PHE H A 73 PHE HBx 1.0 . 3.96 193 181 A 73 PHE H A 57 MET HGx 1.0 . 5.50 194 182 A 97 ILE HD1% A 73 PHE H 1.0 . 5.50 195 183 A 73 PHE H A 72 HIS H 1.0 . 4.99 196 184 A 73 PHE H A 72 HIS HA 1.0 . 3.19 197 185 A 73 PHE H A 56 LYS HA 1.0 . 5.35 198 186 A 57 MET HBx A 73 PHE H 1.0 . 5.50 199 187 A 74 LYS HGy A 73 PHE H 1.0 . 5.50 200 188 A 7 GLU H A 8 THR H 1.0 . 3.45 201 189 A 7 GLU H A 8 THR HA 1.0 . 5.34 202 190 A 7 GLU H A 6 LYS HA 1.0 . 2.79 203 191 A 7 GLU H A 5 GLY HAx 1.0 . 5.07 204 191 A 7 GLU H A 5 GLY HAy 1.0 . 5.07 205 192 A 7 GLU H A 7 GLU HBx 1.0 . 3.29 206 193 A 7 GLU H A 8 THR HG2% 1.0 . 5.50 207 194 A 7 GLU H A 79 LYS HEx 1.0 . 5.50 208 194 A 7 GLU H A 79 LYS HEy 1.0 . 5.50 209 195 A 58 ASP H A 57 MET H 1.0 . 5.50 210 196 A 57 MET H A 73 PHE H 1.0 . 4.24 211 197 A 57 MET H A 56 LYS H 1.0 . 5.20 212 198 A 57 MET H A 56 LYS HA 1.0 . 3.23 213 199 A 73 PHE HBy A 57 MET H 1.0 . 4.46 214 200 A 57 MET H A 73 PHE HBx 1.0 . 4.14 215 201 A 57 MET H A 56 LYS HBy 1.0 . 3.93 216 202 A 57 MET HBx A 57 MET H 1.0 . 4.12 217 203 A 32 LYS H A 30 ASP H 1.0 . 5.50 218 204 A 32 LYS H A 30 ASP HA 1.0 . 5.50 219 205 A 32 LYS H A 29 ASN HBy 1.0 . 5.50 220 206 A 32 LYS H A 29 ASN HBx 1.0 . 5.50 221 207 A 32 LYS H A 32 LYS HBx 1.0 . 4.16 222 208 A 33 GLU H A 32 LYS H 1.0 . 5.49 223 209 A 27 THR HA A 32 LYS H 1.0 . 5.50 224 210 A 32 LYS H A 33 GLU HGx 1.0 . 5.50 225 210 A 33 GLU HGy A 32 LYS H 1.0 . 5.50 226 211 A 83 VAL H A 83 VAL HB 1.0 . 3.70 227 212 A 83 VAL H A 12 ARG H 1.0 . 4.73 228 213 A 83 VAL H A 13 LEU HA 1.0 . 4.09 229 214 A 83 VAL H A 82 ARG HGx 1.0 . 4.36 230 215 A 92 ASP HBy A 93 VAL H 1.0 . 4.03 231 216 A 93 VAL H A 92 ASP HBx 1.0 . 3.75 232 217 A 93 VAL H A 67 GLU HGx 1.0 . 5.50 233 217 A 93 VAL H A 67 GLU HGy 1.0 . 5.50 234 218 A 93 VAL H A 63 THR HG2% 1.0 . 5.50 235 219 A 72 HIS H A 58 ASP HA 1.0 . 5.50 236 220 A 72 HIS H A 71 GLY HAy 1.0 . 3.40 237 221 A 95 VAL HB A 72 HIS H 1.0 . 5.50 238 222 A 72 HIS H A 70 THR HG2% 1.0 . 5.50 239 223 A 72 HIS H A 95 VAL HGx% 1.0 . 5.50 240 223 A 95 VAL HGy% A 72 HIS H 1.0 . 5.50 241 224 A 68 LYS H A 67 GLU H 1.0 . 4.65 242 225 A 55 TYR H A 56 LYS H 1.0 . 3.53 243 226 A 56 LYS H A 55 TYR HE% 1.0 . 5.50 244 227 A 56 LYS H A 55 TYR HBx 1.0 . 5.33 245 228 A 56 LYS H A 56 LYS HGx 1.0 . 4.55 246 229 A 56 LYS H A 28 TRP HA 1.0 . 5.50 247 230 A 98 PRO HDx A 99 GLN H 1.0 . 5.50 248 231 A 99 GLN H A 97 ILE HB 1.0 . 5.50 249 232 A 99 GLN H A 100 GLY HAy 1.0 . 5.50 250 232 A 99 GLN H A 100 GLY HAx 1.0 . 5.50 251 233 A 102 ILE HG2% A 99 GLN H 1.0 . 5.50 252 234 A 67 GLU H A 63 THR H 1.0 . 3.72 253 235 A 67 GLU H A 66 GLY H 1.0 . 3.26 254 236 A 67 GLU H A 67 GLU HBx 1.0 . 3.35 255 237 A 67 GLU H A 69 PHE HD% 1.0 . 5.50 256 238 A 67 GLU H A 65 SER HBy 1.0 . 5.50 257 239 A 99 GLN H A 98 PRO HDy 1.0 . 5.50 258 240 A 99 GLN H A 99 GLN HE2y 1.0 . 5.50 259 241 A 99 GLN H A 99 GLN HBx 1.0 . 3.71 260 242 A 79 LYS H A 80 ASP H 1.0 . 3.73 261 243 A 79 LYS H A 78 GLY HAy 1.0 . 3.35 262 244 A 79 LYS H A 79 LYS HGx 1.0 . 4.16 263 244 A 79 LYS H A 79 LYS HGy 1.0 . 4.16 264 245 A 9 THR HG2% A 79 LYS H 1.0 . 5.50 265 246 A 103 ASP H A 102 ILE H 1.0 . 3.84 266 247 A 58 ASP H A 59 VAL H 1.0 . 5.18 267 248 A 59 VAL H A 60 THR H 1.0 . 5.03 268 249 A 73 PHE HD% A 59 VAL H 1.0 . 5.00 269 250 A 72 HIS HA A 59 VAL H 1.0 . 4.15 270 251 A 59 VAL H A 60 THR HB 1.0 . 5.50 271 252 A 59 VAL H A 71 GLY HAx 1.0 . 5.35 272 253 A 59 VAL H A 58 ASP HBx 1.0 . 3.74 273 253 A 59 VAL H A 58 ASP HBy 1.0 . 3.74 274 254 A 57 MET HGx A 59 VAL H 1.0 . 5.50 275 255 A 59 VAL H A 59 VAL HB 1.0 . 3.70 276 256 A 59 VAL H A 59 VAL HGy% 1.0 . 4.22 277 257 A 59 VAL H A 59 VAL HGx% 1.0 . 4.41 278 258 A 72 HIS H A 59 VAL H 1.0 . 5.50 279 259 A 71 GLY HAy A 59 VAL H 1.0 . 5.50 280 260 A 102 ILE H A 100 GLY H 1.0 . 3.79 281 261 A 102 ILE H A 101 GLU HGx 1.0 . 4.96 282 261 A 102 ILE H A 101 GLU HGy 1.0 . 4.96 283 262 A 102 ILE H A 101 GLU HBx 1.0 . 4.10 284 262 A 101 GLU HBy A 102 ILE H 1.0 . 4.10 285 263 A 19 PHE HD% A 64 GLN H 1.0 . 5.02 286 264 A 64 GLN H A 63 THR HA 1.0 . 3.33 287 265 A 64 GLN H A 63 THR HB 1.0 . 3.35 288 266 A 64 GLN H A 20 ASN HBy 1.0 . 5.50 289 267 A 64 GLN H A 64 GLN HBy 1.0 . 3.26 290 268 A 64 GLN H A 21 VAL HGx% 1.0 . 4.78 291 269 A 64 GLN H A 22 LYS HDx 1.0 . 5.50 292 269 A 64 GLN H A 22 LYS HDy 1.0 . 5.50 293 270 A 64 GLN H A 19 PHE HE% 1.0 . 5.50 294 271 A 2 ALA HB% A 4 ASP H 1.0 . 5.50 295 272 A 51 ALA HB% A 50 ASP H 1.0 . 5.50 296 273 A 50 ASP H A 32 LYS HGx 1.0 . 5.15 297 273 A 50 ASP H A 32 LYS HGy 1.0 . 5.15 298 274 A 101 GLU H A 100 GLY HAy 1.0 . 3.06 299 274 A 100 GLY HAx A 101 GLU H 1.0 . 3.06 300 275 A 101 GLU H A 101 GLU HGx 1.0 . 3.95 301 275 A 101 GLU HGy A 101 GLU H 1.0 . 3.95 302 276 A 101 GLU H A 101 GLU HBx 1.0 . 3.80 303 276 A 101 GLU HBy A 101 GLU H 1.0 . 3.80 304 277 A 4 ASP H A 3 GLN H 1.0 . 4.48 305 278 A 6 LYS H A 5 GLY HAx 1.0 . 3.24 306 278 A 5 GLY HAy A 6 LYS H 1.0 . 3.24 307 279 A 63 THR HG2% A 64 GLN H 1.0 . 4.10 308 280 A 7 GLU H A 6 LYS H 1.0 . 3.91 309 281 A 6 LYS H A 5 GLY H 1.0 . 4.14 310 282 A 6 LYS H A 6 LYS HBx 1.0 . 3.33 311 283 A 66 GLY H A 64 GLN H 1.0 . 5.05 312 284 A 4 ASP H A 4 ASP HBx 1.0 . 3.79 313 284 A 4 ASP H A 4 ASP HBy 1.0 . 3.79 314 285 A 27 THR H A 58 ASP HBx 1.0 . 4.71 315 285 A 27 THR H A 58 ASP HBy 1.0 . 4.71 316 286 A 27 THR H A 26 VAL HB 1.0 . 5.29 317 287 A 27 THR H A 57 MET HE% 1.0 . 5.50 318 288 A 27 THR H A 28 TRP HE3 1.0 . 5.50 319 289 A 87 LEU H A 17 THR HA 1.0 . 4.72 320 290 A 50 ASP H A 51 ALA H 1.0 . 3.87 321 291 A 51 ALA H A 8 THR HB 1.0 . 4.96 322 292 A 51 ALA H A 49 SER HBy 1.0 . 5.04 323 293 A 51 ALA H A 50 ASP HBy 1.0 . 4.58 324 294 A 51 ALA H A 50 ASP HBx 1.0 . 5.02 325 295 A 8 THR HG2% A 51 ALA H 1.0 . 4.42 326 296 A 27 THR H A 60 THR H 1.0 . 5.50 327 297 A 86 GLU H A 87 LEU H 1.0 . 4.31 328 298 A 87 LEU H A 87 LEU HBx 1.0 . 3.87 329 299 A 85 ILE HG2% A 87 LEU H 1.0 . 5.50 330 300 A 51 ALA H A 28 TRP HZ2 1.0 . 5.50 331 301 A 15 ASN HD2x A 42 HIS H 1.0 . 5.14 332 302 A 42 HIS H A 43 ASP HA 1.0 . 5.50 333 303 A 42 HIS H A 42 HIS HBx 1.0 . 3.70 334 303 A 42 HIS H A 42 HIS HBy 1.0 . 3.70 335 304 A 15 ASN HBx A 42 HIS H 1.0 . 5.50 336 305 A 12 ARG HDx A 45 ILE H 1.0 . 5.50 337 306 A 14 ILE HD1% A 45 ILE H 1.0 . 5.50 338 307 A 25 LYS H A 60 THR H 1.0 . 3.81 339 308 A 60 THR H A 70 THR HA 1.0 . 5.50 340 309 A 24 ILE HA A 60 THR H 1.0 . 4.70 341 310 A 25 LYS HBy A 60 THR H 1.0 . 4.90 342 311 A 25 LYS HBx A 60 THR H 1.0 . 5.26 343 312 A 60 THR H A 59 VAL HB 1.0 . 4.96 344 313 A 14 ILE HG2% A 42 HIS H 1.0 . 5.50 345 314 A 46 ASP H A 45 ILE H 1.0 . 4.67 346 315 A 45 ILE H A 12 ARG HA 1.0 . 4.57 347 316 A 45 ILE H A 14 ILE HA 1.0 . 4.34 348 317 A 44 SER HBx A 45 ILE H 1.0 . 3.71 349 318 A 45 ILE HB A 45 ILE H 1.0 . 4.18 350 319 A 22 LYS H A 23 ASN H 1.0 . 4.67 351 320 A 62 THR H A 22 LYS H 1.0 . 4.39 352 321 A 22 LYS H A 21 VAL HA 1.0 . 3.19 353 322 A 22 LYS H A 62 THR HB 1.0 . 4.95 354 323 A 22 LYS H A 22 LYS HEx 1.0 . 5.50 355 323 A 22 LYS H A 22 LYS HEy 1.0 . 5.50 356 324 A 22 LYS H A 22 LYS HBx 1.0 . 3.82 357 324 A 22 LYS H A 22 LYS HBy 1.0 . 3.82 358 325 A 22 LYS H A 22 LYS HGy 1.0 . 3.79 359 326 A 22 LYS H A 24 ILE HD1% 1.0 . 5.35 360 327 A 22 LYS H A 64 GLN HA 1.0 . 5.50 361 328 A 19 PHE H A 20 ASN H 1.0 . 4.71 362 329 A 19 PHE H A 18 TYR H 1.0 . 3.45 363 330 A 19 PHE H A 41 SER HA 1.0 . 4.99 364 331 A 19 PHE H A 17 THR HB 1.0 . 3.67 365 332 A 19 PHE H A 41 SER HBx 1.0 . 4.74 366 332 A 19 PHE H A 41 SER HBy 1.0 . 4.74 367 333 A 19 PHE H A 19 PHE HBy 1.0 . 4.03 368 334 A 17 THR HG2% A 19 PHE H 1.0 . 4.36 369 335 A 80 ASP H A 79 LYS HA 1.0 . 3.53 370 336 A 80 ASP H A 80 ASP HBy 1.0 . 4.15 371 337 A 80 ASP H A 79 LYS HGx 1.0 . 4.47 372 337 A 80 ASP H A 79 LYS HGy 1.0 . 4.47 373 338 A 80 ASP H A 78 GLY HAx 1.0 . 5.07 374 339 A 76 LEU H A 55 TYR HBx 1.0 . 5.50 375 340 A 76 LEU H A 77 VAL H 1.0 . 4.60 376 341 A 76 LEU H A 76 LEU HBy 1.0 . 3.89 377 342 A 76 LEU H A 74 LYS HA 1.0 . 4.95 378 343 A 95 VAL H A 96 PHE HBx 1.0 . 5.50 379 343 A 96 PHE HBy A 95 VAL H 1.0 . 5.50 380 344 A 62 THR H A 69 PHE H 1.0 . 4.90 381 345 A 76 LEU H A 75 GLY H 1.0 . 3.79 382 346 A 95 VAL H A 93 VAL HGy% 1.0 . 5.50 383 347 A 96 PHE H A 95 VAL H 1.0 . 5.21 384 348 A 95 VAL H A 73 PHE HZ 1.0 . 5.50 385 349 A 95 VAL H A 94 GLN HA 1.0 . 3.20 386 350 A 71 GLY HAx A 95 VAL H 1.0 . 5.50 387 351 A 95 VAL HB A 95 VAL H 1.0 . 3.32 388 352 A 95 VAL H A 95 VAL HGx% 1.0 . 3.79 389 352 A 95 VAL HGy% A 95 VAL H 1.0 . 3.79 390 353 A 69 PHE H A 63 THR H 1.0 . 4.81 391 354 A 69 PHE H A 70 THR H 1.0 . 4.38 392 355 A 69 PHE H A 68 LYS HA 1.0 . 2.96 393 356 A 69 PHE H A 69 PHE HBy 1.0 . 4.18 394 357 A 69 PHE H A 68 LYS HGx 1.0 . 4.46 395 358 A 40 GLY H A 43 ASP H 1.0 . 5.30 396 359 A 43 ASP H A 42 HIS HBx 1.0 . 4.87 397 359 A 43 ASP H A 42 HIS HBy 1.0 . 4.87 398 360 A 43 ASP H A 15 ASN HD2x 1.0 . 5.16 399 361 A 15 ASN HBy A 43 ASP H 1.0 . 3.80 400 362 A 43 ASP H A 43 ASP HBx 1.0 . 3.36 401 363 A 49 SER H A 9 THR H 1.0 . 4.83 402 364 A 49 SER H A 48 SER HA 1.0 . 3.29 403 365 A 49 SER H A 10 THR HA 1.0 . 3.89 404 366 A 49 SER H A 48 SER HBy 1.0 . 4.07 405 367 A 49 SER HBx A 49 SER H 1.0 . 4.03 406 368 A 49 SER H A 8 THR HG2% 1.0 . 5.19 407 369 A 49 SER H A 10 THR HG2% 1.0 . 5.50 408 370 A 34 GLN HE2y A 35 THR H 1.0 . 4.88 409 371 A 34 GLN H A 35 THR H 1.0 . 4.64 410 372 A 36 VAL H A 35 THR H 1.0 . 4.61 411 373 A 35 THR H A 34 GLN HBy 1.0 . 3.94 412 374 A 33 GLU H A 32 LYS HBy 1.0 . 4.66 413 375 A 33 GLU H A 32 LYS HBx 1.0 . 5.50 414 376 A 33 GLU H A 28 TRP HH2 1.0 . 5.50 415 377 A 32 LYS HEy A 33 GLU H 1.0 . 5.50 416 378 A 89 GLU H A 90 ASN H 1.0 . 3.86 417 379 A 91 ALA HA A 90 ASN H 1.0 . 4.78 418 380 A 90 ASN H A 90 ASN HBx 1.0 . 3.41 419 381 A 90 ASN H A 89 GLU HGx 1.0 . 4.40 420 381 A 90 ASN H A 89 GLU HGy 1.0 . 4.40 421 382 A 90 ASN H A 89 GLU HBx 1.0 . 4.17 422 382 A 90 ASN H A 89 GLU HBy 1.0 . 4.17 423 383 A 30 ASP H A 55 TYR HE% 1.0 . 5.50 424 384 A 90 ASN H A 90 ASN HD2x 1.0 . 5.30 425 385 A 90 ASN H A 91 ALA HB% 1.0 . 5.50 426 386 A 30 ASP H A 30 ASP HBy 1.0 . 3.55 427 387 A 92 ASP H A 94 GLN HE2x 1.0 . 5.50 428 388 A 81 THR H A 9 THR HB 1.0 . 5.02 429 389 A 81 THR H A 82 ARG HGy 1.0 . 5.50 430 390 A 81 THR H A 10 THR H 1.0 . 4.54 431 391 A 81 THR H A 82 ARG HA 1.0 . 5.15 432 392 A 81 THR H A 81 THR HB 1.0 . 3.50 433 393 A 81 THR H A 80 ASP HBx 1.0 . 4.03 434 394 A 81 THR H A 9 THR HG2% 1.0 . 5.50 435 395 A 81 THR H A 11 ILE HG2% 1.0 . 4.96 436 396 A 81 THR H A 11 ILE HD1% 1.0 . 5.50 437 397 A 9 THR H A 10 THR H 1.0 . 4.71 438 398 A 9 THR HB A 10 THR H 1.0 . 3.39 439 399 A 80 ASP HBy A 10 THR H 1.0 . 5.26 440 400 A 10 THR H A 80 ASP HBx 1.0 . 5.50 441 401 A 93 VAL HA A 92 ASP H 1.0 . 5.47 442 402 A 88 ASP HBy A 92 ASP H 1.0 . 5.50 443 403 A 88 ASP H A 92 ASP H 1.0 . 3.78 444 404 A 92 ASP HBy A 92 ASP H 1.0 . 3.21 445 405 A 92 ASP HBx A 92 ASP H 1.0 . 3.62 446 406 A 92 ASP H A 89 GLU HGx 1.0 . 5.50 447 406 A 89 GLU HGy A 92 ASP H 1.0 . 5.50 448 407 A 91 ALA HB% A 92 ASP H 1.0 . 4.53 449 408 A 87 LEU HBx A 92 ASP H 1.0 . 4.77 450 409 A 10 THR HG2% A 10 THR H 1.0 . 4.53 451 410 A 77 VAL H A 76 LEU HDx% 1.0 . 5.50 452 411 A 77 VAL H A 77 VAL HB 1.0 . 4.16 453 412 A 77 VAL H A 76 LEU HBy 1.0 . 4.66 454 413 A 77 VAL H A 76 LEU HBx 1.0 . 4.04 455 414 A 77 VAL H A 78 GLY H 1.0 . 4.94 456 415 A 35 THR HA A 24 ILE H 1.0 . 5.19 457 416 A 24 ILE H A 22 LYS HA 1.0 . 4.73 458 417 A 24 ILE H A 23 ASN HBy 1.0 . 4.78 459 418 A 24 ILE H A 61 GLY HAx 1.0 . 5.50 460 419 A 24 ILE H A 36 VAL H 1.0 . 3.98 461 420 A 24 ILE H A 23 ASN HA 1.0 . 3.34 462 421 A 24 ILE H A 24 ILE HB 1.0 . 3.31 463 422 A 24 ILE H A 24 ILE HG1x 1.0 . 3.91 464 423 A 89 GLU H A 91 ALA H 1.0 . 5.04 465 424 A 88 ASP H A 91 ALA H 1.0 . 4.68 466 425 A 91 ALA H A 87 LEU HDy% 1.0 . 5.08 467 426 A 91 ALA H A 89 GLU HA 1.0 . 5.13 468 427 A 91 ALA H A 89 GLU HGx 1.0 . 5.50 469 427 A 89 GLU HGy A 91 ALA H 1.0 . 5.50 470 428 A 91 ALA H A 89 GLU HBx 1.0 . 5.50 471 428 A 89 GLU HBy A 91 ALA H 1.0 . 5.50 472 429 A 20 ASN H A 21 VAL H 1.0 . 4.85 473 430 A 64 GLN H A 20 ASN H 1.0 . 4.40 474 431 A 19 PHE HE% A 20 ASN H 1.0 . 5.50 475 432 A 64 GLN HA A 20 ASN H 1.0 . 5.50 476 433 A 20 ASN H A 19 PHE HBy 1.0 . 3.32 477 434 A 20 ASN HBy A 20 ASN H 1.0 . 3.44 478 435 A 64 GLN HBy A 20 ASN H 1.0 . 3.86 479 436 A 20 ASN H A 64 GLN HBx 1.0 . 4.47 480 437 A 21 VAL HGx% A 20 ASN H 1.0 . 5.50 481 438 A 88 ASP H A 89 GLU H 1.0 . 5.50 482 439 A 88 ASP HBx A 89 GLU H 1.0 . 4.24 483 440 A 36 VAL H A 23 ASN H 1.0 . 5.50 484 441 A 24 ILE H A 23 ASN H 1.0 . 3.87 485 442 A 23 ASN H A 38 THR HA 1.0 . 4.15 486 443 A 29 ASN H A 30 ASP H 1.0 . 5.50 487 444 A 29 ASN H A 28 TRP HBx 1.0 . 5.39 488 445 A 40 GLY H A 39 LEU HBy 1.0 . 5.03 489 446 A 12 ARG HGy A 47 PHE H 1.0 . 5.50 490 447 A 23 ASN H A 38 THR HG2% 1.0 . 4.95 491 448 A 21 VAL HGx% A 23 ASN H 1.0 . 5.30 492 449 A 40 GLY H A 39 LEU HG 1.0 . 4.89 493 450 A 46 ASP H A 47 PHE H 1.0 . 5.50 494 451 A 12 ARG HA A 47 PHE H 1.0 . 4.44 495 452 A 10 THR HA A 47 PHE H 1.0 . 5.50 496 453 A 10 THR HG2% A 47 PHE H 1.0 . 4.51 497 454 A 11 ILE HB A 47 PHE H 1.0 . 5.10 498 455 A 11 ILE HG2% A 47 PHE H 1.0 . 5.50 499 456 A 13 LEU H A 47 PHE H 1.0 . 4.87 500 457 A 49 SER HBx A 9 THR H 1.0 . 5.50 501 458 A 49 SER HBy A 9 THR H 1.0 . 5.50 502 459 A 54 VAL HGx% A 9 THR H 1.0 . 5.50 503 460 A 51 ALA HB% A 9 THR H 1.0 . 5.50 504 461 A 8 THR H A 9 THR H 1.0 . 4.68 505 462 A 90 ASN HBx A 90 ASN HD2y 1.0 . 3.54 506 463 A 90 ASN HD2x A 90 ASN HA 1.0 . 5.50 507 464 A 90 ASN HBx A 90 ASN HD2x 1.0 . 3.80 508 465 A 90 ASN HD2x A 89 GLU HGx 1.0 . 5.02 509 465 A 89 GLU HGy A 90 ASN HD2x 1.0 . 5.02 510 466 A 90 ASN HD2x A 89 GLU HBx 1.0 . 5.50 511 466 A 89 GLU HBy A 90 ASN HD2x 1.0 . 5.50 512 467 A 90 ASN HD2y A 89 GLU HGx 1.0 . 5.49 513 467 A 89 GLU HGy A 90 ASN HD2y 1.0 . 5.49 514 468 A 22 LYS H A 21 VAL H 1.0 . 4.85 515 469 A 39 LEU H A 21 VAL H 1.0 . 3.99 516 470 A 15 ASN HD2x A 21 VAL H 1.0 . 4.42 517 471 A 21 VAL H A 20 ASN HA 1.0 . 3.25 518 472 A 21 VAL H A 40 GLY HAy 1.0 . 4.91 519 473 A 21 VAL H A 20 ASN HBx 1.0 . 3.98 520 474 A 39 LEU HBy A 21 VAL H 1.0 . 5.25 521 475 A 68 LYS H A 63 THR H 1.0 . 5.50 522 476 A 62 THR H A 63 THR H 1.0 . 4.46 523 477 A 63 THR H A 66 GLY H 1.0 . 4.72 524 478 A 63 THR H A 69 PHE HD% 1.0 . 4.26 525 479 A 63 THR H A 66 GLY HAx 1.0 . 5.50 526 480 A 63 THR H A 67 GLU HBx 1.0 . 4.74 527 481 A 63 THR H A 93 VAL HGy% 1.0 . 5.50 528 482 A 63 THR H A 67 GLU HGx 1.0 . 5.50 529 482 A 67 GLU HGy A 63 THR H 1.0 . 5.50 530 483 A 8 THR H A 7 GLU HA 1.0 . 2.76 531 484 A 8 THR H A 8 THR HB 1.0 . 3.66 532 485 A 8 THR H A 7 GLU HBy 1.0 . 4.51 533 486 A 8 THR H A 7 GLU HBx 1.0 . 4.28 534 487 A 8 THR H A 52 GLY HAx 1.0 . 5.50 535 488 A 10 THR HG2% A 48 SER H 1.0 . 5.50 536 489 A 47 PHE HD% A 48 SER H 1.0 . 4.51 537 490 A 48 SER H A 48 SER HBx 1.0 . 3.05 538 491 A 48 SER H A 47 PHE HBy 1.0 . 3.79 539 492 A 47 PHE HBx A 48 SER H 1.0 . 3.61 540 493 A 70 THR H A 70 THR HB 1.0 . 3.88 541 494 A 70 THR H A 69 PHE HBy 1.0 . 3.45 542 495 A 70 THR H A 71 GLY H 1.0 . 5.00 543 496 A 69 PHE HD% A 70 THR H 1.0 . 4.32 544 497 A 70 THR H A 95 VAL HGx% 1.0 . 5.08 545 497 A 95 VAL HGy% A 70 THR H 1.0 . 5.08 546 498 A 82 ARG H A 99 GLN HE2y 1.0 . 5.50 547 499 A 97 ILE HD1% A 99 GLN HE2y 1.0 . 5.50 548 500 A 76 LEU HBy A 99 GLN HE2x 1.0 . 5.50 549 501 A 15 ASN HD2x A 41 SER H 1.0 . 5.39 550 502 A 40 GLY HAy A 41 SER H 1.0 . 3.24 551 503 A 41 SER H A 40 GLY HAx 1.0 . 3.24 552 504 A 41 SER H A 41 SER HBx 1.0 . 2.98 553 504 A 41 SER HBy A 41 SER H 1.0 . 2.98 554 505 A 43 ASP HBx A 41 SER H 1.0 . 4.72 555 506 A 99 GLN HE2y A 76 LEU HDy% 1.0 . 5.07 556 507 A 99 GLN HE2y A 77 VAL H 1.0 . 5.11 557 508 A 99 GLN HE2y A 99 GLN HBy 1.0 . 4.84 558 509 A 99 GLN HE2y A 76 LEU HBx 1.0 . 5.50 559 510 A 77 VAL H A 99 GLN HE2x 1.0 . 4.51 560 511 A 99 GLN HE2x A 99 GLN HA 1.0 . 4.35 561 512 A 76 LEU HBx A 99 GLN HE2x 1.0 . 5.50 562 513 A 99 GLN HE2x A 76 LEU HDy% 1.0 . 4.99 563 514 A 20 ASN H A 20 ASN HD2y 1.0 . 4.71 564 515 A 21 VAL H A 20 ASN HD2y 1.0 . 5.50 565 516 A 20 ASN HBy A 20 ASN HD2y 1.0 . 3.77 566 517 A 20 ASN HBx A 20 ASN HD2y 1.0 . 4.04 567 518 A 64 GLN HBy A 20 ASN HD2y 1.0 . 4.95 568 519 A 64 GLN HBx A 20 ASN HD2y 1.0 . 5.50 569 520 A 20 ASN HD2y A 22 LYS HDx 1.0 . 5.50 570 520 A 22 LYS HDy A 20 ASN HD2y 1.0 . 5.50 571 521 A 21 VAL H A 20 ASN HD2x 1.0 . 5.50 572 522 A 22 LYS HA A 20 ASN HD2x 1.0 . 5.50 573 523 A 40 GLY HAy A 20 ASN HD2x 1.0 . 5.50 574 524 A 64 GLN HBy A 20 ASN HD2x 1.0 . 5.48 575 525 A 39 LEU H A 20 ASN HD2x 1.0 . 5.50 576 526 A 22 LYS H A 20 ASN HD2y 1.0 . 5.50 577 527 A 37 ASN H A 37 ASN HD2y 1.0 . 5.09 578 528 A 37 ASN HD2y A 37 ASN HA 1.0 . 5.08 579 529 A 37 ASN HD2y A 37 ASN HBx 1.0 . 3.69 580 529 A 37 ASN HBy A 37 ASN HD2y 1.0 . 3.69 581 530 A 38 THR HG2% A 37 ASN HD2y 1.0 . 5.50 582 531 A 37 ASN HD2y A 36 VAL HGx% 1.0 . 5.50 583 532 A 38 THR HB A 37 ASN HD2x 1.0 . 5.50 584 533 A 38 THR HG2% A 37 ASN HD2x 1.0 . 5.50 585 534 A 37 ASN H A 38 THR H 1.0 . 3.49 586 535 A 39 LEU H A 38 THR H 1.0 . 4.28 587 536 A 22 LYS HA A 38 THR H 1.0 . 4.69 588 537 A 38 THR HB A 38 THR H 1.0 . 3.64 589 538 A 38 THR H A 37 ASN HBx 1.0 . 3.27 590 538 A 37 ASN HBy A 38 THR H 1.0 . 3.27 591 539 A 36 VAL HB A 38 THR H 1.0 . 5.49 592 540 A 38 THR H A 22 LYS HBx 1.0 . 5.50 593 540 A 22 LYS HBy A 38 THR H 1.0 . 5.50 594 541 A 38 THR HG2% A 38 THR H 1.0 . 4.19 595 542 A 24 ILE HA A 23 ASN HD2y 1.0 . 4.41 596 543 A 23 ASN H A 23 ASN HD2y 1.0 . 5.18 597 544 A 18 TYR H A 87 LEU HG 1.0 . 5.50 598 545 A 18 TYR H A 19 PHE HA 1.0 . 5.20 599 546 A 18 TYR H A 17 THR HB 1.0 . 3.38 600 547 A 18 TYR H A 18 TYR HBy 1.0 . 3.82 601 548 A 18 TYR H A 86 GLU HA 1.0 . 5.50 602 549 A 63 THR HA A 23 ASN HD2x 1.0 . 4.82 603 550 A 21 VAL H A 15 ASN HD2y 1.0 . 5.25 604 551 A 15 ASN HD2y A 15 ASN HA 1.0 . 5.50 605 552 A 20 ASN HA A 15 ASN HD2y 1.0 . 5.01 606 553 A 41 SER HA A 15 ASN HD2y 1.0 . 4.48 607 554 A 39 LEU HG A 15 ASN HD2y 1.0 . 5.50 608 555 A 15 ASN HD2y A 39 LEU HDx% 1.0 . 5.50 609 556 A 39 LEU HBy A 15 ASN HD2y 1.0 . 5.50 610 557 A 23 ASN HA A 23 ASN HD2y 1.0 . 5.14 611 558 A 23 ASN HBy A 23 ASN HD2y 1.0 . 3.87 612 559 A 23 ASN HD2y A 23 ASN HBx 1.0 . 3.62 613 560 A 23 ASN HD2y A 22 LYS HDx 1.0 . 5.25 614 560 A 22 LYS HDy A 23 ASN HD2y 1.0 . 5.25 615 561 A 22 LYS HGy A 23 ASN HD2y 1.0 . 4.79 616 562 A 64 GLN HA A 64 GLN HE2x 1.0 . 5.50 617 563 A 23 ASN HA A 23 ASN HD2x 1.0 . 5.43 618 564 A 23 ASN HD2x A 22 LYS HBx 1.0 . 5.29 619 564 A 22 LYS HBy A 23 ASN HD2x 1.0 . 5.29 620 565 A 22 LYS HGy A 23 ASN HD2x 1.0 . 5.50 621 566 A 23 ASN HD2x A 22 LYS HEx 1.0 . 4.42 622 566 A 22 LYS HEy A 23 ASN HD2x 1.0 . 4.42 623 567 A 23 ASN HD2x A 22 LYS HDx 1.0 . 5.20 624 567 A 22 LYS HDy A 23 ASN HD2x 1.0 . 5.20 625 568 A 15 ASN HD2x A 20 ASN HA 1.0 . 5.08 626 569 A 39 LEU HG A 15 ASN HD2x 1.0 . 5.34 627 570 A 40 GLY H A 15 ASN HD2x 1.0 . 5.50 628 571 A 15 ASN HD2x A 15 ASN HA 1.0 . 5.50 629 572 A 20 ASN H A 64 GLN HE2y 1.0 . 5.50 630 573 A 64 GLN HA A 64 GLN HE2y 1.0 . 5.50 631 574 A 64 GLN HE2y A 64 GLN HGx 1.0 . 3.63 632 574 A 64 GLN HE2y A 64 GLN HGy 1.0 . 3.63 633 575 A 64 GLN HBx A 64 GLN HE2y 1.0 . 5.50 634 576 A 20 ASN H A 64 GLN HE2x 1.0 . 5.50 635 577 A 19 PHE HA A 64 GLN HE2x 1.0 . 5.50 636 578 A 45 ILE H A 44 SER H 1.0 . 4.99 637 579 A 43 ASP H A 44 SER H 1.0 . 4.54 638 580 A 14 ILE HA A 44 SER H 1.0 . 5.50 639 581 A 44 SER HBx A 44 SER H 1.0 . 3.70 640 582 A 44 SER H A 43 ASP HBy 1.0 . 3.41 641 583 A 39 LEU HDy% A 44 SER H 1.0 . 4.54 642 584 A 40 GLY H A 44 SER H 1.0 . 5.50 643 585 A 62 THR H A 69 PHE HE% 1.0 . 4.30 644 586 A 62 THR H A 68 LYS HA 1.0 . 4.66 645 587 A 62 THR H A 24 ILE HA 1.0 . 4.36 646 588 A 62 THR H A 61 GLY HAy 1.0 . 3.40 647 589 A 62 THR H A 62 THR HB 1.0 . 3.63 648 590 A 62 THR H A 23 ASN HBy 1.0 . 5.37 649 591 A 62 THR H A 21 VAL HGx% 1.0 . 4.77 650 592 A 62 THR H A 24 ILE HG2% 1.0 . 5.00 651 593 A 62 THR H A 23 ASN HBx 1.0 . 5.35 652 594 A 53 SER H A 54 VAL HGx% 1.0 . 5.50 653 595 A 53 SER H A 51 ALA H 1.0 . 5.50 654 596 A 34 GLN HE2y A 47 PHE HBy 1.0 . 5.50 655 597 A 47 PHE HBx A 34 GLN HE2y 1.0 . 5.50 656 598 A 47 PHE HBy A 34 GLN HE2x 1.0 . 5.50 657 599 A 34 GLN HA A 34 GLN HE2y 1.0 . 5.50 658 600 A 47 PHE HE% A 34 GLN HE2y 1.0 . 5.32 659 601 A 35 THR HG2% A 34 GLN HE2y 1.0 . 5.05 660 602 A 35 THR H A 34 GLN HE2x 1.0 . 5.13 661 603 A 34 GLN HA A 34 GLN HE2x 1.0 . 5.50 662 604 A 47 PHE HBx A 34 GLN HE2x 1.0 . 5.50 663 605 A 35 THR HG2% A 34 GLN HE2x 1.0 . 5.50 664 606 A 34 GLN HE2x A 36 VAL HGy% 1.0 . 5.40 665 607 A 47 PHE HE% A 34 GLN HE2x 1.0 . 4.86 666 608 A 35 THR HA A 34 GLN HE2x 1.0 . 5.50 667 609 A 16 GLN H A 17 THR H 1.0 . 3.47 668 610 A 15 ASN H A 17 THR H 1.0 . 5.50 669 611 A 19 PHE H A 17 THR H 1.0 . 4.71 670 612 A 18 TYR H A 17 THR H 1.0 . 4.48 671 613 A 15 ASN HD2x A 17 THR H 1.0 . 5.50 672 614 A 15 ASN HA A 17 THR H 1.0 . 4.15 673 615 A 17 THR HB A 17 THR H 1.0 . 4.18 674 616 A 17 THR H A 16 GLN HBy 1.0 . 4.62 675 617 A 17 THR H A 16 GLN HGx 1.0 . 5.33 676 618 A 17 THR H A 16 GLN HBx 1.0 . 4.66 677 619 A 85 ILE HB A 17 THR H 1.0 . 5.19 678 620 A 14 ILE HG2% A 17 THR H 1.0 . 5.41 679 621 A 85 ILE HG2% A 17 THR H 1.0 . 5.29 680 622 A 16 GLN HA A 16 GLN HE2x 1.0 . 5.50 681 623 A 16 GLN HBx A 16 GLN HE2x 1.0 . 5.50 682 624 A 14 ILE HD1% A 16 GLN HE2x 1.0 . 5.50 683 625 A 92 ASP HA A 94 GLN HE2y 1.0 . 5.50 684 626 A 94 GLN HE2y A 94 GLN HBy 1.0 . 5.25 685 627 A 88 ASP HBy A 94 GLN HE2y 1.0 . 5.50 686 628 A 92 ASP HBy A 94 GLN HE2y 1.0 . 4.26 687 629 A 92 ASP HBx A 94 GLN HE2y 1.0 . 4.17 688 630 A 94 GLN HGx A 94 GLN HE2y 1.0 . 3.82 689 631 A 94 GLN HBx A 94 GLN HE2y 1.0 . 5.15 690 632 A 88 ASP H A 94 GLN HE2x 1.0 . 5.50 691 633 A 93 VAL H A 94 GLN HE2x 1.0 . 5.50 692 634 A 92 ASP HBy A 94 GLN HE2x 1.0 . 4.53 693 635 A 92 ASP HBx A 94 GLN HE2x 1.0 . 4.58 694 636 A 94 GLN HE2x A 94 GLN HBy 1.0 . 5.50 695 637 A 93 VAL HGx% A 94 GLN HE2x 1.0 . 5.50 696 638 A 72 HIS H A 71 GLY H 1.0 . 4.90 697 639 A 71 GLY H A 73 PHE HE% 1.0 . 5.50 698 640 A 69 PHE HD% A 71 GLY H 1.0 . 5.50 699 641 A 58 ASP HA A 71 GLY H 1.0 . 5.19 700 642 A 71 GLY H A 60 THR HA 1.0 . 4.30 701 643 A 70 THR HB A 71 GLY H 1.0 . 4.02 702 644 A 71 GLY H A 58 ASP HBx 1.0 . 5.50 703 644 A 58 ASP HBy A 71 GLY H 1.0 . 5.50 704 645 A 59 VAL HB A 71 GLY H 1.0 . 5.05 705 646 A 71 GLY H A 95 VAL HGx% 1.0 . 4.36 706 646 A 95 VAL HGy% A 71 GLY H 1.0 . 4.36 707 647 A 88 ASP H A 94 GLN HE2y 1.0 . 5.50 708 648 A 92 ASP H A 94 GLN HE2y 1.0 . 5.50 709 649 A 94 GLN H A 94 GLN HE2y 1.0 . 5.50 710 650 A 94 GLN HA A 94 GLN HE2x 1.0 . 5.50 711 651 A 88 ASP HBy A 94 GLN HE2x 1.0 . 5.50 712 652 A 94 GLN HBx A 94 GLN HE2x 1.0 . 5.50 713 653 A 64 GLN H A 65 SER H 1.0 . 4.21 714 654 A 66 GLY H A 65 SER H 1.0 . 3.89 715 655 A 63 THR HA A 65 SER H 1.0 . 4.24 716 656 A 65 SER HBy A 65 SER H 1.0 . 4.10 717 657 A 65 SER H A 65 SER HBx 1.0 . 3.88 718 658 A 65 SER H A 64 GLN HGx 1.0 . 4.34 719 658 A 64 GLN HGy A 65 SER H 1.0 . 4.34 720 659 A 64 GLN HBx A 65 SER H 1.0 . 4.22 721 660 A 63 THR HG2% A 65 SER H 1.0 . 5.08 722 661 A 99 GLN H A 100 GLY H 1.0 . 4.68 723 662 A 99 GLN HE2y A 100 GLY H 1.0 . 5.16 724 663 A 100 GLY H A 99 GLN HE2x 1.0 . 5.50 725 664 A 100 GLY H A 101 GLU HA 1.0 . 4.62 726 665 A 100 GLY H A 99 GLN HBy 1.0 . 3.89 727 666 A 102 ILE HG2% A 100 GLY H 1.0 . 5.27 728 667 A 63 THR H A 65 SER H 1.0 . 5.50 729 668 A 67 GLU H A 65 SER H 1.0 . 4.60 730 669 A 66 GLY HAx A 65 SER H 1.0 . 5.50 731 670 A 65 SER H A 67 GLU HGx 1.0 . 5.50 732 670 A 67 GLU HGy A 65 SER H 1.0 . 5.50 733 671 A 65 SER H A 62 THR HG2% 1.0 . 5.50 734 672 A 75 GLY H A 76 LEU HDx% 1.0 . 5.50 735 673 A 74 LYS H A 75 GLY H 1.0 . 5.50 736 674 A 75 GLY H A 74 LYS HBx 1.0 . 3.91 737 675 A 76 LEU HBy A 75 GLY H 1.0 . 5.08 738 676 A 75 GLY H A 74 LYS HGx 1.0 . 4.97 739 677 A 66 GLY H A 64 GLN HA 1.0 . 4.77 740 678 A 66 GLY H A 65 SER HBx 1.0 . 4.59 741 679 A 66 GLY H A 22 LYS HEx 1.0 . 5.50 742 679 A 66 GLY H A 22 LYS HEy 1.0 . 5.50 743 680 A 66 GLY H A 64 GLN HGx 1.0 . 5.50 744 680 A 66 GLY H A 64 GLN HGy 1.0 . 5.50 745 681 A 66 GLY H A 67 GLU HGx 1.0 . 5.50 746 681 A 67 GLU HGy A 66 GLY H 1.0 . 5.50 747 682 A 66 GLY H A 67 GLU HBx 1.0 . 4.90 748 683 A 63 THR HG2% A 66 GLY H 1.0 . 5.50 749 684 A 4 ASP H A 5 GLY H 1.0 . 3.53 750 685 A 5 GLY H A 3 GLN HA 1.0 . 5.50 751 686 A 5 GLY H A 4 ASP HBx 1.0 . 4.58 752 686 A 5 GLY H A 4 ASP HBy 1.0 . 4.58 753 687 A 2 ALA HB% A 5 GLY H 1.0 . 5.50 754 688 A 25 LYS H A 61 GLY H 1.0 . 5.50 755 689 A 71 GLY H A 61 GLY H 1.0 . 5.50 756 690 A 60 THR H A 61 GLY H 1.0 . 4.56 757 691 A 69 PHE H A 61 GLY H 1.0 . 3.64 758 692 A 62 THR H A 61 GLY H 1.0 . 4.73 759 693 A 69 PHE HE% A 61 GLY H 1.0 . 4.26 760 694 A 70 THR HA A 61 GLY H 1.0 . 4.08 761 695 A 60 THR HA A 61 GLY H 1.0 . 3.05 762 696 A 24 ILE HA A 61 GLY H 1.0 . 4.78 763 697 A 61 GLY H A 68 LYS HEx 1.0 . 5.50 764 697 A 61 GLY H A 68 LYS HEy 1.0 . 5.50 765 698 A 61 GLY H A 60 THR HG2% 1.0 . 4.41 766 699 A 29 ASN HD2y A 55 TYR HD% 1.0 . 5.50 767 700 A 29 ASN HD2y A 55 TYR HE% 1.0 . 5.50 768 701 A 51 ALA HB% A 29 ASN HD2y 1.0 . 5.32 769 702 A 54 VAL HGx% A 29 ASN HD2y 1.0 . 5.50 770 703 A 30 ASP H A 29 ASN HD2x 1.0 . 5.27 771 704 A 55 TYR H A 29 ASN HD2x 1.0 . 5.50 772 705 A 55 TYR HD% A 29 ASN HD2x 1.0 . 5.50 773 706 A 29 ASN HD2x A 54 VAL HA 1.0 . 4.54 774 707 A 51 ALA HB% A 29 ASN HD2x 1.0 . 4.69 775 708 A 54 VAL HGx% A 29 ASN HD2x 1.0 . 5.50 776 709 A 29 ASN HD2x A 29 ASN HA 1.0 . 5.50 777 710 A 51 ALA H A 52 GLY H 1.0 . 4.49 778 711 A 53 SER H A 52 GLY H 1.0 . 3.81 779 712 A 8 THR HG2% A 52 GLY H 1.0 . 5.50 780 713 A 30 ASP H A 31 GLY H 1.0 . 3.93 781 714 A 28 TRP H A 31 GLY H 1.0 . 5.50 782 715 A 30 ASP HA A 31 GLY H 1.0 . 3.53 783 716 A 29 ASN HBy A 31 GLY H 1.0 . 5.22 784 717 A 30 ASP HBy A 31 GLY H 1.0 . 4.66 785 718 A 32 LYS HBy A 31 GLY H 1.0 . 5.50 786 719 A 32 LYS HBx A 31 GLY H 1.0 . 5.50 787 720 A 29 ASN H A 31 GLY H 1.0 . 5.50 788 721 A 74 LYS HA A 75 GLY HAx 1.0 . 4.53 789 721 A 75 GLY HAy A 74 LYS HA 1.0 . 4.53 790 722 A 55 TYR HA A 75 GLY HAx 1.0 . 5.50 791 722 A 75 GLY HAy A 55 TYR HA 1.0 . 5.50 792 723 A 76 LEU HA A 75 GLY HAx 1.0 . 5.17 793 723 A 75 GLY HAy A 76 LEU HA 1.0 . 5.17 794 724 A 76 LEU HG A 75 GLY HAx 1.0 . 5.50 795 724 A 75 GLY HAy A 76 LEU HG 1.0 . 5.50 796 725 A 76 LEU HDx% A 75 GLY HAx 1.0 . 5.50 797 725 A 75 GLY HAy A 76 LEU HDx% 1.0 . 5.50 798 726 A 56 LYS HA A 75 GLY HAx 1.0 . 5.29 799 726 A 75 GLY HAy A 56 LYS HA 1.0 . 5.29 800 727 A 30 ASP HBx A 31 GLY HAy 1.0 . 5.50 801 728 A 30 ASP HA A 31 GLY HAy 1.0 . 5.50 802 729 A 30 ASP HA A 31 GLY HAx 1.0 . 5.50 803 730 A 24 ILE H A 61 GLY HAy 1.0 . 5.50 804 731 A 60 THR H A 61 GLY HAx 1.0 . 5.50 805 732 A 69 PHE HE% A 61 GLY HAy 1.0 . 4.39 806 732 A 61 GLY HAy A 69 PHE HD% 1.0 . 4.39 807 733 A 24 ILE HA A 61 GLY HAy 1.0 . 3.72 808 734 A 61 GLY HAy A 24 ILE HG1x 1.0 . 4.69 809 735 A 62 THR H A 61 GLY HAx 1.0 . 3.44 810 736 A 69 PHE HE% A 61 GLY HAx 1.0 . 4.12 811 736 A 69 PHE HD% A 61 GLY HAx 1.0 . 4.12 812 737 A 24 ILE HA A 61 GLY HAx 1.0 . 3.73 813 738 A 24 ILE HG2% A 61 GLY HAx 1.0 . 4.28 814 739 A 4 ASP H A 5 GLY HAx 1.0 . 3.55 815 739 A 5 GLY HAy A 4 ASP H 1.0 . 3.55 816 740 A 25 LYS H A 61 GLY HAx 1.0 . 4.44 817 741 A 69 PHE H A 61 GLY HAx 1.0 . 5.02 818 742 A 61 GLY HAx A 62 THR HG2% 1.0 . 5.50 819 743 A 71 GLY HAx A 70 THR HA 1.0 . 4.96 820 744 A 95 VAL HB A 71 GLY HAy 1.0 . 4.28 821 745 A 95 VAL HGy% A 71 GLY HAy 1.0 . 4.41 822 746 A 51 ALA HB% A 52 GLY HAy 1.0 . 5.03 823 747 A 9 THR HG2% A 52 GLY HAy 1.0 . 5.11 824 748 A 63 THR HG2% A 66 GLY HAx 1.0 . 5.50 825 749 A 71 GLY HAx A 59 VAL HGy% 1.0 . 5.31 826 750 A 95 VAL HGy% A 71 GLY HAx 1.0 . 4.00 827 751 A 72 HIS H A 71 GLY HAx 1.0 . 3.53 828 752 A 62 THR HG2% A 66 GLY HAy 1.0 . 4.04 829 753 A 102 ILE HG2% A 100 GLY HAy 1.0 . 5.34 830 754 A 101 GLU H A 100 GLY HAy 1.0 . 3.00 831 755 A 101 GLU HGy A 100 GLY HAy 1.0 . 5.50 832 755 A 100 GLY HAy A 101 GLU HGx 1.0 . 5.50 833 756 A 66 GLY HAx A 67 GLU HGx 1.0 . 5.50 834 756 A 67 GLU HGy A 66 GLY HAx 1.0 . 5.50 835 757 A 57 MET HA A 58 ASP HBx 1.0 . 5.37 836 757 A 58 ASP HBy A 57 MET HA 1.0 . 5.37 837 758 A 40 GLY HAy A 20 ASN HBx 1.0 . 4.93 838 759 A 40 GLY HAx A 41 SER HBx 1.0 . 5.14 839 759 A 41 SER HBy A 40 GLY HAx 1.0 . 5.14 840 760 A 58 ASP H A 58 ASP HBx 1.0 . 4.07 841 760 A 58 ASP H A 58 ASP HBy 1.0 . 4.07 842 761 A 39 LEU HBy A 24 ILE HD1% 1.0 . 3.72 843 762 A 39 LEU HBy A 38 THR HA 1.0 . 4.98 844 763 A 39 LEU HBx A 39 LEU HDy% 1.0 . 3.68 845 764 A 40 GLY H A 39 LEU HBx 1.0 . 5.37 846 765 A 40 GLY HAy A 39 LEU HA 1.0 . 4.85 847 766 A 20 ASN HA A 40 GLY HAy 1.0 . 3.92 848 767 A 20 ASN HBy A 40 GLY HAy 1.0 . 5.33 849 768 A 43 ASP HBx A 40 GLY HAx 1.0 . 4.43 850 769 A 13 LEU H A 13 LEU HBy 1.0 . 3.76 851 770 A 83 VAL HB A 13 LEU HBy 1.0 . 4.75 852 771 A 45 ILE HG2% A 13 LEU HBy 1.0 . 3.96 853 772 A 13 LEU HBy A 13 LEU HDy% 1.0 . 3.65 854 773 A 13 LEU HDy% A 13 LEU HBx 1.0 . 3.64 855 774 A 13 LEU H A 13 LEU HBx 1.0 . 3.68 856 775 A 47 PHE HE% A 13 LEU HBx 1.0 . 5.01 857 776 A 83 VAL HB A 13 LEU HBx 1.0 . 5.32 858 777 A 78 GLY HAy A 77 VAL HGx% 1.0 . 5.29 859 778 A 79 LYS H A 78 GLY HAx 1.0 . 3.48 860 779 A 47 PHE HE% A 13 LEU HBy 1.0 . 5.11 861 780 A 91 ALA HA A 87 LEU HBy 1.0 . 3.97 862 781 A 82 ARG HDy A 84 PHE HE% 1.0 . 4.14 863 782 A 82 ARG HBy A 82 ARG HDy 1.0 . 3.92 864 783 A 14 ILE HD1% A 82 ARG HDy 1.0 . 4.38 865 784 A 82 ARG H A 82 ARG HDx 1.0 . 5.50 866 785 A 84 PHE HE% A 82 ARG HDx 1.0 . 4.21 867 786 A 82 ARG HBy A 82 ARG HDx 1.0 . 3.98 868 787 A 14 ILE HD1% A 82 ARG HDx 1.0 . 4.52 869 788 A 83 VAL H A 82 ARG HDy 1.0 . 5.50 870 789 A 83 VAL H A 82 ARG HDx 1.0 . 5.50 871 790 A 44 SER HBy A 12 ARG HDy 1.0 . 4.67 872 791 A 14 ILE HD1% A 12 ARG HDy 1.0 . 4.51 873 792 A 14 ILE HD1% A 12 ARG HDx 1.0 . 4.50 874 793 A 83 VAL H A 12 ARG HDx 1.0 . 5.50 875 794 A 12 ARG HBx A 12 ARG HDx 1.0 . 3.50 876 795 A 44 SER HBy A 12 ARG HDx 1.0 . 4.64 877 796 A 40 GLY HAy A 43 ASP HBy 1.0 . 5.22 878 797 A 44 SER HA A 43 ASP HBy 1.0 . 5.20 879 798 A 44 SER HA A 43 ASP HBx 1.0 . 5.50 880 799 A 46 ASP HBy A 47 PHE H 1.0 . 4.13 881 800 A 45 ILE HA A 46 ASP HBy 1.0 . 5.50 882 801 A 46 ASP HBx A 47 PHE H 1.0 . 4.15 883 802 A 46 ASP HBx A 10 THR HG2% 1.0 . 3.95 884 803 A 40 GLY H A 43 ASP HBy 1.0 . 4.09 885 804 A 40 GLY HAx A 43 ASP HBy 1.0 . 5.40 886 805 A 45 ILE HG2% A 43 ASP HBy 1.0 . 5.50 887 806 A 43 ASP HBy A 39 LEU HA 1.0 . 4.92 888 807 A 40 GLY H A 43 ASP HBx 1.0 . 4.02 889 808 A 39 LEU HDy% A 43 ASP HBx 1.0 . 3.87 890 809 A 43 ASP HBx A 44 SER H 1.0 . 3.52 891 810 A 39 LEU HBy A 43 ASP HBx 1.0 . 5.50 892 811 A 39 LEU HG A 43 ASP HBx 1.0 . 4.78 893 812 A 43 ASP HBx A 39 LEU HA 1.0 . 4.66 894 813 A 12 ARG HDy A 45 ILE H 1.0 . 4.98 895 814 A 96 PHE H A 96 PHE HBx 1.0 . 3.64 896 814 A 96 PHE H A 96 PHE HBy 1.0 . 3.64 897 815 A 97 ILE H A 96 PHE HBx 1.0 . 3.82 898 815 A 97 ILE H A 96 PHE HBy 1.0 . 3.82 899 816 A 73 PHE HBy A 56 LYS HBx 1.0 . 5.50 900 817 A 73 PHE HBx A 56 LYS HA 1.0 . 4.88 901 818 A 57 MET HBy A 73 PHE HBy 1.0 . 5.50 902 819 A 97 ILE HD1% A 73 PHE HBy 1.0 . 4.94 903 820 A 74 LYS H A 73 PHE HBx 1.0 . 4.76 904 821 A 57 MET HBy A 73 PHE HBx 1.0 . 5.46 905 822 A 32 LYS HA A 32 LYS HEx 1.0 . 5.50 906 823 A 32 LYS HBy A 32 LYS HEx 1.0 . 5.37 907 824 A 56 LYS HGy A 56 LYS HEx 1.0 . 3.61 908 824 A 56 LYS HGy A 56 LYS HEy 1.0 . 3.61 909 825 A 32 LYS HEy A 32 LYS HA 1.0 . 5.22 910 826 A 32 LYS HEx A 32 LYS HGx 1.0 . 3.99 911 826 A 32 LYS HGy A 32 LYS HEx 1.0 . 3.99 912 827 A 74 LYS HGy A 74 LYS HEx 1.0 . 3.27 913 827 A 74 LYS HGy A 74 LYS HEy 1.0 . 3.27 914 828 A 74 LYS HBx A 74 LYS HEx 1.0 . 5.06 915 828 A 74 LYS HBx A 74 LYS HEy 1.0 . 5.06 916 829 A 7 GLU HA A 79 LYS HEx 1.0 . 4.43 917 829 A 79 LYS HEy A 7 GLU HA 1.0 . 4.43 918 830 A 9 THR HG2% A 79 LYS HEx 1.0 . 4.90 919 830 A 9 THR HG2% A 79 LYS HEy 1.0 . 4.90 920 831 A 93 VAL HGy% A 69 PHE HBx 1.0 . 4.75 921 832 A 70 THR H A 69 PHE HBx 1.0 . 4.17 922 833 A 76 LEU HBx A 76 LEU HDy% 1.0 . 4.04 923 834 A 76 LEU HDx% A 76 LEU HBx 1.0 . 3.96 924 835 A 8 THR H A 79 LYS HEx 1.0 . 5.03 925 835 A 8 THR H A 79 LYS HEy 1.0 . 5.03 926 836 A 79 LYS HDx A 79 LYS HEx 1.0 . 2.91 927 836 A 79 LYS HDy A 79 LYS HEx 1.0 . 2.91 928 836 A 79 LYS HEy A 79 LYS HDx 1.0 . 2.91 929 836 A 79 LYS HEy A 79 LYS HDy 1.0 . 2.91 930 837 A 79 LYS HEy A 79 LYS HGx 1.0 . 3.27 931 837 A 79 LYS HGy A 79 LYS HEx 1.0 . 3.27 932 837 A 79 LYS HEy A 79 LYS HGy 1.0 . 3.27 933 837 A 79 LYS HEx A 79 LYS HGx 1.0 . 3.27 934 838 A 79 LYS H A 79 LYS HEx 1.0 . 5.50 935 838 A 79 LYS HEy A 79 LYS H 1.0 . 5.50 936 839 A 93 VAL HGy% A 69 PHE HBy 1.0 . 4.47 937 840 A 69 PHE HBx A 95 VAL HGx% 1.0 . 5.29 938 841 A 55 TYR HE% A 56 LYS HEx 1.0 . 4.79 939 841 A 55 TYR HE% A 56 LYS HEy 1.0 . 4.79 940 842 A 57 MET H A 56 LYS HEx 1.0 . 5.50 941 842 A 57 MET H A 56 LYS HEy 1.0 . 5.50 942 843 A 56 LYS H A 56 LYS HEx 1.0 . 5.50 943 843 A 56 LYS H A 56 LYS HEy 1.0 . 5.50 944 844 A 68 LYS HGy A 68 LYS HEx 1.0 . 3.82 945 844 A 68 LYS HEy A 68 LYS HGy 1.0 . 3.82 946 845 A 68 LYS HGx A 68 LYS HEx 1.0 . 3.81 947 845 A 68 LYS HGx A 68 LYS HEy 1.0 . 3.81 948 846 A 70 THR HG2% A 68 LYS HEx 1.0 . 4.59 949 846 A 70 THR HG2% A 68 LYS HEy 1.0 . 4.59 950 847 A 92 ASP HBy A 93 VAL HA 1.0 . 4.99 951 848 A 21 VAL HB A 22 LYS HEx 1.0 . 4.86 952 848 A 22 LYS HEy A 21 VAL HB 1.0 . 4.86 953 849 A 64 GLN HA A 22 LYS HEx 1.0 . 4.10 954 849 A 22 LYS HEy A 64 GLN HA 1.0 . 4.10 955 850 A 62 THR HB A 22 LYS HEx 1.0 . 4.56 956 850 A 62 THR HB A 22 LYS HEy 1.0 . 4.56 957 851 A 66 GLY HAx A 22 LYS HEx 1.0 . 5.50 958 851 A 22 LYS HEy A 66 GLY HAx 1.0 . 5.50 959 852 A 23 ASN HD2y A 22 LYS HEx 1.0 . 5.35 960 852 A 22 LYS HEy A 23 ASN HD2y 1.0 . 5.35 961 853 A 22 LYS HBy A 22 LYS HEx 1.0 . 3.85 962 853 A 22 LYS HBx A 22 LYS HEx 1.0 . 3.85 963 853 A 22 LYS HEy A 22 LYS HBx 1.0 . 3.85 964 853 A 22 LYS HEy A 22 LYS HBy 1.0 . 3.85 965 854 A 22 LYS HGy A 22 LYS HEx 1.0 . 3.18 966 854 A 22 LYS HEy A 22 LYS HGy 1.0 . 3.18 967 855 A 62 THR H A 22 LYS HEx 1.0 . 4.92 968 855 A 62 THR H A 22 LYS HEy 1.0 . 4.92 969 856 A 35 THR HG2% A 25 LYS HEy 1.0 . 4.81 970 857 A 25 LYS HBy A 25 LYS HEy 1.0 . 4.36 971 858 A 25 LYS HEy A 25 LYS HGx 1.0 . 3.78 972 858 A 25 LYS HGy A 25 LYS HEy 1.0 . 3.78 973 859 A 34 GLN H A 25 LYS HEx 1.0 . 5.28 974 860 A 35 THR HG2% A 25 LYS HEx 1.0 . 4.94 975 861 A 25 LYS HEx A 25 LYS HGx 1.0 . 3.80 976 861 A 25 LYS HGy A 25 LYS HEx 1.0 . 3.80 977 862 A 88 ASP HBx A 94 GLN HE2x 1.0 . 5.50 978 863 A 39 LEU HDy% A 45 ILE HB 1.0 . 3.75 979 864 A 88 ASP HBy A 89 GLU H 1.0 . 3.43 980 865 A 80 ASP HBy A 81 THR HA 1.0 . 5.19 981 866 A 10 THR HB A 80 ASP HBy 1.0 . 5.21 982 867 A 80 ASP HBy A 10 THR HG2% 1.0 . 5.50 983 868 A 93 VAL HA A 92 ASP HBx 1.0 . 5.46 984 869 A 9 THR HG2% A 80 ASP HBx 1.0 . 5.50 985 870 A 79 LYS HA A 80 ASP HBx 1.0 . 5.50 986 871 A 88 ASP HBy A 90 ASN H 1.0 . 5.50 987 872 A 94 GLN HBx A 88 ASP HBx 1.0 . 5.50 988 873 A 81 THR H A 80 ASP HBy 1.0 . 3.42 989 874 A 10 THR HG2% A 80 ASP HBx 1.0 . 5.50 990 875 A 80 ASP HBy A 81 THR HG2% 1.0 . 5.50 991 876 A 14 ILE HG2% A 84 PHE HBx 1.0 . 5.50 992 876 A 84 PHE HBy A 14 ILE HG2% 1.0 . 5.50 993 877 A 85 ILE HG1y A 84 PHE HBx 1.0 . 5.50 994 877 A 84 PHE HBy A 85 ILE HG1y 1.0 . 5.50 995 878 A 85 ILE H A 14 ILE HB 1.0 . 5.16 996 879 A 14 ILE HB A 84 PHE HE% 1.0 . 5.28 997 880 A 14 ILE HB A 84 PHE HA 1.0 . 3.67 998 881 A 14 ILE HB A 16 GLN HGx 1.0 . 5.50 999 882 A 64 GLN HBy A 19 PHE HBy 1.0 . 4.52 1000 883 A 64 GLN HBx A 19 PHE HBx 1.0 . 5.00 1001 884 A 16 GLN H A 14 ILE HB 1.0 . 5.50 1002 885 A 14 ILE HB A 84 PHE HDx 1.0 . 4.68 1003 886 A 63 THR HG2% A 19 PHE HBy 1.0 . 5.50 1004 887 A 64 GLN H A 19 PHE HBy 1.0 . 3.86 1005 888 A 93 VAL HGx% A 19 PHE HBx 1.0 . 5.50 1006 889 A 20 ASN H A 19 PHE HBx 1.0 . 3.54 1007 890 A 19 PHE H A 19 PHE HBx 1.0 . 4.00 1008 891 A 32 LYS HDy A 50 ASP HBy 1.0 . 5.50 1009 892 A 50 ASP HBx A 32 LYS HGx 1.0 . 5.00 1010 892 A 32 LYS HGy A 50 ASP HBx 1.0 . 5.00 1011 893 A 50 ASP HBy A 32 LYS HGx 1.0 . 5.20 1012 893 A 32 LYS HGy A 50 ASP HBy 1.0 . 5.20 1013 894 A 47 PHE HBx A 34 GLN HGx 1.0 . 5.05 1014 895 A 47 PHE H A 47 PHE HBy 1.0 . 3.76 1015 896 A 45 ILE HG2% A 47 PHE HBy 1.0 . 5.50 1016 897 A 97 ILE HB A 98 PRO HA 1.0 . 5.43 1017 898 A 83 VAL HA A 97 ILE HB 1.0 . 5.50 1018 899 A 97 ILE H A 97 ILE HB 1.0 . 4.18 1019 900 A 76 LEU HBx A 55 TYR HBy 1.0 . 5.50 1020 901 A 76 LEU HBy A 55 TYR HBy 1.0 . 5.50 1021 902 A 76 LEU H A 55 TYR HBy 1.0 . 5.49 1022 903 A 90 ASN HD2y A 90 ASN HBy 1.0 . 3.58 1023 904 A 90 ASN HD2x A 90 ASN HBy 1.0 . 4.00 1024 905 A 103 ASP H A 102 ILE HB 1.0 . 4.57 1025 906 A 102 ILE H A 102 ILE HB 1.0 . 3.72 1026 907 A 30 ASP H A 30 ASP HBx 1.0 . 4.06 1027 908 A 31 GLY H A 30 ASP HBx 1.0 . 4.82 1028 909 A 20 ASN HBx A 15 ASN HD2y 1.0 . 5.50 1029 910 A 20 ASN HBy A 64 GLN HBy 1.0 . 4.01 1030 911 A 20 ASN HBy A 38 THR HG2% 1.0 . 5.08 1031 912 A 20 ASN HBy A 21 VAL H 1.0 . 4.15 1032 913 A 20 ASN HBy A 21 VAL HGx% 1.0 . 5.50 1033 914 A 20 ASN H A 20 ASN HBx 1.0 . 3.71 1034 915 A 38 THR HG2% A 20 ASN HBx 1.0 . 4.68 1035 916 A 24 ILE HB A 36 VAL H 1.0 . 4.25 1036 917 A 38 THR HA A 37 ASN HBx 1.0 . 5.44 1037 917 A 37 ASN HBy A 38 THR HA 1.0 . 5.44 1038 918 A 36 VAL HGx% A 37 ASN HBx 1.0 . 4.79 1039 918 A 37 ASN HBy A 36 VAL HGx% 1.0 . 4.79 1040 919 A 16 GLN H A 85 ILE HB 1.0 . 4.05 1041 920 A 85 ILE H A 85 ILE HB 1.0 . 3.70 1042 921 A 85 ILE HB A 15 ASN HA 1.0 . 3.34 1043 922 A 17 THR HG2% A 85 ILE HB 1.0 . 4.58 1044 923 A 57 MET HBy A 59 VAL HGy% 1.0 . 5.50 1045 924 A 57 MET HBx A 73 PHE HBy 1.0 . 4.93 1046 925 A 57 MET HBx A 73 PHE HBx 1.0 . 5.07 1047 926 A 57 MET HBx A 76 LEU HDx% 1.0 . 4.74 1048 927 A 57 MET HBy A 54 VAL HGy% 1.0 . 4.60 1049 928 A 73 PHE HD% A 57 MET HBy 1.0 . 5.50 1050 929 A 57 MET HBx A 97 ILE HD1% 1.0 . 5.49 1051 930 A 57 MET HBx A 57 MET HE% 1.0 . 4.53 1052 931 A 40 GLY H A 15 ASN HBy 1.0 . 5.45 1053 932 A 15 ASN HBy A 39 LEU HG 1.0 . 4.40 1054 933 A 85 ILE HG2% A 15 ASN HBx 1.0 . 5.50 1055 934 A 15 ASN HBx A 43 ASP HA 1.0 . 5.50 1056 935 A 15 ASN HBy A 14 ILE HA 1.0 . 5.04 1057 936 A 15 ASN HBy A 42 HIS HA 1.0 . 5.50 1058 937 A 15 ASN HBy A 21 VAL HGy% 1.0 . 4.73 1059 938 A 15 ASN HBx A 21 VAL H 1.0 . 5.50 1060 939 A 39 LEU HBy A 15 ASN HBx 1.0 . 4.54 1061 940 A 16 GLN H A 15 ASN HBx 1.0 . 5.33 1062 941 A 43 ASP H A 15 ASN HBx 1.0 . 3.94 1063 942 A 15 ASN HBx A 39 LEU HG 1.0 . 4.19 1064 943 A 15 ASN HBx A 21 VAL HGy% 1.0 . 4.82 1065 944 A 39 LEU HBy A 15 ASN HBy 1.0 . 4.97 1066 945 A 18 TYR H A 18 TYR HBx 1.0 . 3.47 1067 946 A 62 THR HB A 23 ASN HBy 1.0 . 4.83 1068 947 A 24 ILE H A 23 ASN HBx 1.0 . 5.05 1069 948 A 23 ASN H A 23 ASN HBy 1.0 . 4.03 1070 949 A 29 ASN HBx A 32 LYS HGx 1.0 . 4.98 1071 949 A 29 ASN HBx A 32 LYS HGy 1.0 . 4.98 1072 950 A 23 ASN H A 23 ASN HBx 1.0 . 4.12 1073 951 A 23 ASN HBx A 22 LYS HBx 1.0 . 4.97 1074 951 A 22 LYS HBy A 23 ASN HBx 1.0 . 4.97 1075 952 A 22 LYS HGy A 23 ASN HBx 1.0 . 4.39 1076 953 A 24 ILE HA A 23 ASN HBy 1.0 . 4.78 1077 954 A 70 THR HB A 60 THR HG2% 1.0 . 4.65 1078 955 A 29 ASN HBy A 29 ASN HD2x 1.0 . 4.05 1079 956 A 30 ASP H A 29 ASN HBy 1.0 . 3.72 1080 957 A 30 ASP H A 29 ASN HBx 1.0 . 3.73 1081 958 A 23 ASN HA A 22 LYS HBx 1.0 . 5.17 1082 958 A 22 LYS HBy A 23 ASN HA 1.0 . 5.17 1083 959 A 59 VAL HGx% A 70 THR HB 1.0 . 5.50 1084 960 A 51 ALA HB% A 29 ASN HBy 1.0 . 5.50 1085 961 A 71 GLY HAx A 59 VAL HB 1.0 . 5.50 1086 962 A 63 THR HG2% A 62 THR HB 1.0 . 5.29 1087 963 A 59 VAL HB A 73 PHE HE% 1.0 . 5.50 1088 964 A 62 THR HB A 23 ASN HD2y 1.0 . 5.50 1089 965 A 63 THR H A 62 THR HB 1.0 . 3.93 1090 966 A 68 LYS H A 67 GLU HGx 1.0 . 3.78 1091 966 A 68 LYS H A 67 GLU HGy 1.0 . 3.78 1092 967 A 101 GLU HBx A 101 GLU HGx 1.0 . 2.44 1093 967 A 101 GLU HBy A 101 GLU HGx 1.0 . 2.44 1094 967 A 101 GLU HGy A 101 GLU HBx 1.0 . 2.44 1095 967 A 101 GLU HBy A 101 GLU HGy 1.0 . 2.44 1096 968 A 63 THR HG2% A 67 GLU HGx 1.0 . 4.36 1097 968 A 63 THR HG2% A 67 GLU HGy 1.0 . 4.36 1098 969 A 67 GLU H A 67 GLU HGx 1.0 . 3.60 1099 969 A 67 GLU HGy A 67 GLU H 1.0 . 3.60 1100 970 A 33 GLU H A 33 GLU HGx 1.0 . 4.36 1101 970 A 33 GLU H A 33 GLU HGy 1.0 . 4.36 1102 971 A 25 LYS HEy A 33 GLU HGx 1.0 . 5.12 1103 971 A 33 GLU HGy A 25 LYS HEy 1.0 . 5.12 1104 972 A 27 THR HA A 33 GLU HGx 1.0 . 5.00 1105 972 A 27 THR HA A 33 GLU HGy 1.0 . 5.00 1106 973 A 33 GLU HBy A 33 GLU HGx 1.0 . 2.96 1107 973 A 33 GLU HGy A 33 GLU HBy 1.0 . 2.96 1108 974 A 38 THR HB A 22 LYS HBx 1.0 . 5.50 1109 974 A 38 THR HB A 22 LYS HBy 1.0 . 5.50 1110 975 A 22 LYS HA A 38 THR HB 1.0 . 4.21 1111 976 A 38 THR HB A 37 ASN HBx 1.0 . 4.56 1112 976 A 37 ASN HBy A 38 THR HB 1.0 . 4.56 1113 977 A 60 THR H A 60 THR HB 1.0 . 3.92 1114 978 A 60 THR HB A 70 THR HA 1.0 . 4.64 1115 979 A 60 THR HB A 68 LYS HEx 1.0 . 5.32 1116 979 A 60 THR HB A 68 LYS HEy 1.0 . 5.32 1117 980 A 89 GLU H A 89 GLU HGx 1.0 . 3.96 1118 980 A 89 GLU H A 89 GLU HGy 1.0 . 3.96 1119 981 A 88 ASP HBy A 89 GLU HGx 1.0 . 5.36 1120 981 A 88 ASP HBy A 89 GLU HGy 1.0 . 5.36 1121 982 A 93 VAL HGx% A 63 THR HB 1.0 . 5.50 1122 983 A 88 ASP HBx A 89 GLU HGx 1.0 . 5.38 1123 983 A 88 ASP HBx A 89 GLU HGy 1.0 . 5.38 1124 984 A 74 LYS HBy A 75 GLY HAx 1.0 . 4.72 1125 984 A 75 GLY HAy A 74 LYS HBy 1.0 . 4.72 1126 985 A 63 THR HB A 65 SER H 1.0 . 4.61 1127 986 A 63 THR HB A 64 GLN HBy 1.0 . 5.15 1128 987 A 75 GLY H A 74 LYS HBy 1.0 . 3.93 1129 988 A 74 LYS HBy A 74 LYS HEx 1.0 . 5.37 1130 988 A 74 LYS HEy A 74 LYS HBy 1.0 . 5.37 1131 989 A 26 VAL HA A 27 THR HB 1.0 . 5.28 1132 990 A 10 THR HB A 9 THR HB 1.0 . 5.50 1133 991 A 10 THR HB A 10 THR H 1.0 . 3.42 1134 992 A 10 THR HB A 9 THR HG2% 1.0 . 5.50 1135 993 A 10 THR HB A 80 ASP HBx 1.0 . 5.50 1136 994 A 56 LYS HBy A 56 LYS HEx 1.0 . 4.32 1137 994 A 56 LYS HBy A 56 LYS HEy 1.0 . 4.32 1138 995 A 74 LYS HGy A 56 LYS HBy 1.0 . 3.81 1139 996 A 57 MET H A 56 LYS HBx 1.0 . 4.69 1140 997 A 56 LYS HBx A 56 LYS HEx 1.0 . 5.34 1141 997 A 56 LYS HBx A 56 LYS HEy 1.0 . 5.34 1142 998 A 55 TYR HD% A 56 LYS HBx 1.0 . 4.62 1143 999 A 74 LYS HBx A 75 GLY HAx 1.0 . 5.44 1144 999 A 75 GLY HAy A 74 LYS HBx 1.0 . 5.44 1145 1000 A 58 ASP H A 27 THR HB 1.0 . 4.94 1146 1001 A 27 THR HB A 58 ASP HBx 1.0 . 3.77 1147 1001 A 58 ASP HBy A 27 THR HB 1.0 . 3.77 1148 1002 A 78 GLY HAx A 77 VAL HB 1.0 . 4.99 1149 1003 A 8 THR HB A 9 THR H 1.0 . 3.42 1150 1004 A 77 VAL HB A 78 GLY H 1.0 . 3.55 1151 1005 A 35 THR HB A 36 VAL H 1.0 . 3.72 1152 1006 A 35 THR HB A 25 LYS HDx 1.0 . 5.50 1153 1006 A 35 THR HB A 25 LYS HDy 1.0 . 5.50 1154 1007 A 17 THR HB A 87 LEU HG 1.0 . 4.88 1155 1008 A 17 THR HB A 18 TYR HBx 1.0 . 5.50 1156 1009 A 86 GLU HGy A 96 PHE HBx 1.0 . 4.65 1157 1009 A 96 PHE HBy A 86 GLU HGy 1.0 . 4.65 1158 1010 A 85 ILE HG2% A 86 GLU HGy 1.0 . 5.50 1159 1011 A 85 ILE HG2% A 86 GLU HGx 1.0 . 5.50 1160 1012 A 87 LEU H A 86 GLU HGx 1.0 . 4.65 1161 1013 A 17 THR HB A 86 GLU HA 1.0 . 5.16 1162 1014 A 81 THR HB A 57 MET HE% 1.0 . 5.50 1163 1015 A 86 GLU HGy A 87 LEU H 1.0 . 4.75 1164 1016 A 86 GLU HGy A 84 PHE HBx 1.0 . 4.78 1165 1016 A 84 PHE HBy A 86 GLU HGy 1.0 . 4.78 1166 1017 A 86 GLU HGx A 84 PHE HBx 1.0 . 5.11 1167 1017 A 84 PHE HBy A 86 GLU HGx 1.0 . 5.11 1168 1018 A 86 GLU H A 86 GLU HGx 1.0 . 4.79 1169 1019 A 86 GLU HGx A 96 PHE HBx 1.0 . 4.89 1170 1019 A 96 PHE HBy A 86 GLU HGx 1.0 . 4.89 1171 1020 A 82 ARG H A 81 THR HB 1.0 . 4.91 1172 1021 A 81 THR HB A 11 ILE HA 1.0 . 3.79 1173 1022 A 11 ILE HG2% A 81 THR HB 1.0 . 4.07 1174 1023 A 23 ASN H A 21 VAL HB 1.0 . 5.50 1175 1024 A 62 THR H A 21 VAL HB 1.0 . 4.89 1176 1025 A 22 LYS H A 21 VAL HB 1.0 . 3.49 1177 1026 A 69 PHE HE% A 21 VAL HB 1.0 . 3.52 1178 1026 A 69 PHE HD% A 21 VAL HB 1.0 . 3.52 1179 1027 A 24 ILE H A 36 VAL HB 1.0 . 4.63 1180 1028 A 27 THR HA A 33 GLU HBy 1.0 . 4.94 1181 1029 A 16 GLN HGx A 16 GLN HA 1.0 . 3.82 1182 1030 A 36 VAL HB A 24 ILE HG1y 1.0 . 4.72 1183 1031 A 33 GLU H A 33 GLU HBy 1.0 . 3.91 1184 1032 A 24 ILE HA A 25 LYS HBy 1.0 . 4.54 1185 1033 A 25 LYS H A 25 LYS HBy 1.0 . 3.47 1186 1034 A 25 LYS HBx A 25 LYS HEy 1.0 . 5.33 1187 1035 A 25 LYS H A 25 LYS HBx 1.0 . 3.74 1188 1036 A 25 LYS HBx A 60 THR HG2% 1.0 . 3.41 1189 1037 A 35 THR HA A 25 LYS HBx 1.0 . 5.50 1190 1038 A 99 GLN H A 99 GLN HGx 1.0 . 3.86 1191 1038 A 99 GLN H A 99 GLN HGy 1.0 . 3.86 1192 1039 A 100 GLY H A 99 GLN HGx 1.0 . 4.60 1193 1039 A 100 GLY H A 99 GLN HGy 1.0 . 4.60 1194 1040 A 16 GLN HGy A 17 THR H 1.0 . 5.42 1195 1041 A 99 GLN HE2x A 99 GLN HGx 1.0 . 3.54 1196 1041 A 99 GLN HE2x A 99 GLN HGy 1.0 . 3.54 1197 1042 A 99 GLN HBx A 99 GLN HGx 1.0 . 2.84 1198 1042 A 99 GLN HBx A 99 GLN HGy 1.0 . 2.84 1199 1043 A 99 GLN HE2y A 99 GLN HGx 1.0 . 3.43 1200 1043 A 99 GLN HE2y A 99 GLN HGy 1.0 . 3.43 1201 1044 A 99 GLN HA A 99 GLN HGx 1.0 . 3.49 1202 1044 A 99 GLN HA A 99 GLN HGy 1.0 . 3.49 1203 1045 A 98 PRO HA A 99 GLN HGx 1.0 . 4.62 1204 1045 A 98 PRO HA A 99 GLN HGy 1.0 . 4.62 1205 1046 A 16 GLN H A 16 GLN HGx 1.0 . 4.07 1206 1047 A 16 GLN HGx A 16 GLN HE2y 1.0 . 4.09 1207 1048 A 86 GLU HBy A 84 PHE HBx 1.0 . 5.12 1208 1048 A 84 PHE HBy A 86 GLU HBy 1.0 . 5.12 1209 1049 A 87 LEU H A 86 GLU HBy 1.0 . 3.92 1210 1050 A 87 LEU H A 86 GLU HBx 1.0 . 3.84 1211 1051 A 69 PHE H A 68 LYS HBy 1.0 . 4.09 1212 1052 A 68 LYS HBy A 67 GLU HA 1.0 . 4.65 1213 1053 A 68 LYS H A 68 LYS HBx 1.0 . 3.38 1214 1054 A 69 PHE H A 68 LYS HBx 1.0 . 4.19 1215 1055 A 3 GLN HBy A 3 GLN HGx 1.0 . 2.69 1216 1055 A 3 GLN HBy A 3 GLN HGy 1.0 . 2.69 1217 1056 A 26 VAL HB A 57 MET HE% 1.0 . 5.13 1218 1057 A 26 VAL H A 26 VAL HB 1.0 . 3.84 1219 1058 A 28 TRP HZ3 A 26 VAL HB 1.0 . 5.15 1220 1059 A 24 ILE HG2% A 26 VAL HB 1.0 . 5.38 1221 1060 A 67 GLU HA A 68 LYS HBx 1.0 . 5.10 1222 1061 A 83 VAL H A 12 ARG HBx 1.0 . 4.75 1223 1062 A 82 ARG HA A 12 ARG HBx 1.0 . 5.19 1224 1063 A 95 VAL HB A 71 GLY H 1.0 . 5.50 1225 1064 A 95 VAL HB A 73 PHE HZ 1.0 . 3.69 1226 1065 A 95 VAL HB A 71 GLY HAx 1.0 . 3.81 1227 1066 A 13 LEU H A 12 ARG HBy 1.0 . 5.02 1228 1067 A 12 ARG HBx A 46 ASP HBx 1.0 . 5.50 1229 1068 A 13 LEU H A 12 ARG HBx 1.0 . 4.67 1230 1069 A 14 ILE HD1% A 12 ARG HBx 1.0 . 5.33 1231 1070 A 20 ASN H A 64 GLN HGx 1.0 . 4.72 1232 1070 A 20 ASN H A 64 GLN HGy 1.0 . 4.72 1233 1071 A 19 PHE HBy A 64 GLN HGx 1.0 . 4.90 1234 1071 A 19 PHE HBy A 64 GLN HGy 1.0 . 4.90 1235 1072 A 20 ASN HBy A 64 GLN HGx 1.0 . 4.62 1236 1072 A 20 ASN HBy A 64 GLN HGy 1.0 . 4.62 1237 1073 A 64 GLN H A 64 GLN HGx 1.0 . 3.93 1238 1073 A 64 GLN H A 64 GLN HGy 1.0 . 3.93 1239 1074 A 7 GLU H A 6 LYS HBy 1.0 . 4.72 1240 1075 A 34 GLN HGy A 28 TRP HZ3 1.0 . 4.52 1241 1076 A 34 GLN HGy A 34 GLN H 1.0 . 4.85 1242 1077 A 83 VAL HB A 13 LEU HA 1.0 . 3.53 1243 1078 A 79 LYS HBy A 79 LYS HEx 1.0 . 5.50 1244 1078 A 79 LYS HEy A 79 LYS HBy 1.0 . 5.50 1245 1079 A 9 THR HG2% A 79 LYS HBx 1.0 . 5.50 1246 1080 A 28 TRP HZ3 A 34 GLN HGx 1.0 . 4.94 1247 1081 A 79 LYS H A 79 LYS HBy 1.0 . 3.72 1248 1082 A 79 LYS H A 79 LYS HBx 1.0 . 3.77 1249 1083 A 78 GLY HAx A 79 LYS HBx 1.0 . 5.34 1250 1084 A 28 TRP HBx A 54 VAL HGx% 1.0 . 5.50 1251 1085 A 78 GLY HAx A 79 LYS HBy 1.0 . 5.50 1252 1086 A 35 THR H A 34 GLN HBy 1.0 . 5.50 1253 1086 A 35 THR H A 34 GLN HBx 1.0 . 5.50 1254 1087 A 29 ASN H A 28 TRP HBy 1.0 . 4.41 1255 1088 A 54 VAL HGx% A 28 TRP HBy 1.0 . 5.50 1256 1089 A 99 GLN HA A 98 PRO HBy 1.0 . 5.50 1257 1090 A 94 GLN H A 94 GLN HGy 1.0 . 4.83 1258 1091 A 88 ASP HBy A 94 GLN HGy 1.0 . 4.79 1259 1092 A 88 ASP HBx A 94 GLN HGy 1.0 . 4.01 1260 1093 A 94 GLN HGx A 88 ASP H 1.0 . 5.15 1261 1094 A 94 GLN HGx A 88 ASP HBy 1.0 . 4.85 1262 1095 A 99 GLN H A 98 PRO HBy 1.0 . 4.20 1263 1096 A 84 PHE HE% A 98 PRO HBy 1.0 . 4.40 1264 1097 A 54 VAL H A 54 VAL HB 1.0 . 3.43 1265 1098 A 83 VAL H A 82 ARG HBy 1.0 . 5.19 1266 1099 A 83 VAL H A 82 ARG HBx 1.0 . 4.56 1267 1100 A 95 VAL H A 94 GLN HGy 1.0 . 4.58 1268 1101 A 94 GLN HGx A 95 VAL H 1.0 . 4.71 1269 1102 A 94 GLN HGx A 88 ASP HBx 1.0 . 4.15 1270 1103 A 82 ARG HBy A 81 THR HA 1.0 . 4.90 1271 1104 A 94 GLN HBx A 95 VAL HGx% 1.0 . 5.50 1272 1105 A 82 ARG HBy A 84 PHE HE% 1.0 . 4.80 1273 1106 A 82 ARG HBx A 84 PHE HE% 1.0 . 4.78 1274 1107 A 14 ILE HD1% A 82 ARG HBx 1.0 . 4.48 1275 1108 A 44 SER HBy A 14 ILE HA 1.0 . 4.04 1276 1109 A 44 SER HBy A 14 ILE HG1x 1.0 . 3.75 1277 1110 A 44 SER HBx A 14 ILE HG1y 1.0 . 4.81 1278 1111 A 27 THR H A 57 MET HGy 1.0 . 5.50 1279 1112 A 57 MET HGy A 83 VAL HGy% 1.0 . 5.50 1280 1113 A 95 VAL H A 94 GLN HBy 1.0 . 3.85 1281 1114 A 88 ASP H A 94 GLN HBy 1.0 . 5.50 1282 1115 A 94 GLN HBx A 95 VAL H 1.0 . 4.09 1283 1116 A 82 ARG HBx A 83 VAL HA 1.0 . 5.24 1284 1117 A 44 SER HBy A 45 ILE H 1.0 . 3.85 1285 1118 A 44 SER HBy A 12 ARG HGy 1.0 . 4.89 1286 1119 A 44 SER HBx A 14 ILE HG1x 1.0 . 3.80 1287 1120 A 58 ASP H A 57 MET HGy 1.0 . 4.84 1288 1121 A 28 TRP HBx A 57 MET HGy 1.0 . 4.88 1289 1122 A 58 ASP H A 57 MET HGx 1.0 . 4.62 1290 1123 A 94 GLN H A 93 VAL HB 1.0 . 4.54 1291 1124 A 93 VAL H A 93 VAL HB 1.0 . 3.18 1292 1125 A 63 THR HG2% A 93 VAL HB 1.0 . 4.62 1293 1126 A 69 PHE HE% A 93 VAL HB 1.0 . 4.44 1294 1126 A 69 PHE HD% A 93 VAL HB 1.0 . 4.44 1295 1127 A 69 PHE HBx A 93 VAL HB 1.0 . 3.85 1296 1128 A 99 GLN H A 99 GLN HBy 1.0 . 3.89 1297 1129 A 73 PHE H A 72 HIS HBy 1.0 . 5.14 1298 1130 A 72 HIS H A 72 HIS HBy 1.0 . 4.11 1299 1131 A 99 GLN HE2x A 99 GLN HBy 1.0 . 5.50 1300 1132 A 99 GLN HBy A 98 PRO HA 1.0 . 4.77 1301 1133 A 99 GLN HBy A 102 ILE HD1% 1.0 . 5.50 1302 1134 A 99 GLN HBx A 100 GLY H 1.0 . 4.72 1303 1135 A 7 GLU HBx A 7 GLU HGx 1.0 . 2.72 1304 1135 A 7 GLU HBx A 7 GLU HGy 1.0 . 2.72 1305 1136 A 55 TYR HD% A 56 LYS HDy 1.0 . 5.36 1306 1137 A 55 TYR HD% A 56 LYS HDx 1.0 . 5.50 1307 1138 A 56 LYS HBy A 56 LYS HDx 1.0 . 4.08 1308 1139 A 56 LYS HBy A 56 LYS HDy 1.0 . 4.19 1309 1140 A 55 TYR HE% A 56 LYS HDx 1.0 . 4.36 1310 1141 A 16 GLN HBy A 16 GLN HE2y 1.0 . 4.77 1311 1142 A 16 GLN H A 16 GLN HBy 1.0 . 4.01 1312 1143 A 67 GLU HBy A 63 THR H 1.0 . 5.08 1313 1144 A 93 VAL HGx% A 67 GLU HBy 1.0 . 5.50 1314 1145 A 67 GLU HBy A 67 GLU H 1.0 . 3.67 1315 1146 A 67 GLU HBy A 67 GLU HGx 1.0 . 2.93 1316 1146 A 67 GLU HBy A 67 GLU HGy 1.0 . 2.93 1317 1147 A 67 GLU HBy A 63 THR HG2% 1.0 . 4.09 1318 1148 A 15 ASN HA A 16 GLN HBx 1.0 . 5.48 1319 1149 A 16 GLN HBx A 16 GLN HE2y 1.0 . 5.50 1320 1150 A 14 ILE HG2% A 16 GLN HBy 1.0 . 5.50 1321 1151 A 16 GLN H A 16 GLN HBx 1.0 . 3.73 1322 1152 A 17 THR HG2% A 16 GLN HBx 1.0 . 5.50 1323 1153 A 85 ILE HG2% A 16 GLN HBx 1.0 . 5.50 1324 1154 A 74 LYS HA A 74 LYS HDx 1.0 . 5.50 1325 1154 A 74 LYS HDy A 74 LYS HA 1.0 . 5.50 1326 1155 A 74 LYS HBx A 74 LYS HDx 1.0 . 3.21 1327 1155 A 74 LYS HDy A 74 LYS HBx 1.0 . 3.21 1328 1156 A 22 LYS H A 22 LYS HDx 1.0 . 5.50 1329 1156 A 22 LYS HDy A 22 LYS H 1.0 . 5.50 1330 1157 A 79 LYS HA A 79 LYS HDx 1.0 . 4.30 1331 1157 A 79 LYS HA A 79 LYS HDy 1.0 . 4.30 1332 1158 A 68 LYS H A 68 LYS HDx 1.0 . 4.47 1333 1158 A 68 LYS H A 68 LYS HDy 1.0 . 4.47 1334 1159 A 69 PHE H A 68 LYS HDx 1.0 . 5.50 1335 1159 A 69 PHE H A 68 LYS HDy 1.0 . 5.50 1336 1160 A 79 LYS HDx A 79 LYS HGx 1.0 . 2.68 1337 1160 A 79 LYS HDy A 79 LYS HGx 1.0 . 2.68 1338 1160 A 79 LYS HGy A 79 LYS HDx 1.0 . 2.68 1339 1160 A 79 LYS HGy A 79 LYS HDy 1.0 . 2.68 1340 1161 A 25 LYS HA A 25 LYS HDx 1.0 . 5.11 1341 1161 A 25 LYS HA A 25 LYS HDy 1.0 . 5.11 1342 1162 A 39 LEU HDy% A 45 ILE HG1y 1.0 . 4.81 1343 1163 A 46 ASP H A 45 ILE HG1y 1.0 . 3.66 1344 1164 A 45 ILE HA A 45 ILE HG1y 1.0 . 3.51 1345 1165 A 26 VAL H A 25 LYS HDx 1.0 . 5.00 1346 1165 A 26 VAL H A 25 LYS HDy 1.0 . 5.00 1347 1166 A 35 THR HG2% A 25 LYS HDx 1.0 . 4.44 1348 1166 A 35 THR HG2% A 25 LYS HDy 1.0 . 4.44 1349 1167 A 46 ASP H A 45 ILE HG1x 1.0 . 3.95 1350 1168 A 25 LYS H A 24 ILE HG1x 1.0 . 5.50 1351 1169 A 48 SER HBy A 10 THR HG2% 1.0 . 5.50 1352 1170 A 48 SER HBy A 48 SER H 1.0 . 3.32 1353 1171 A 63 THR HA A 64 GLN HBy 1.0 . 4.79 1354 1172 A 89 GLU H A 89 GLU HBx 1.0 . 3.58 1355 1172 A 89 GLU H A 89 GLU HBy 1.0 . 3.58 1356 1173 A 88 ASP HBy A 89 GLU HBx 1.0 . 4.86 1357 1173 A 88 ASP HBy A 89 GLU HBy 1.0 . 4.86 1358 1174 A 89 GLU HBx A 89 GLU HGx 1.0 . 2.82 1359 1174 A 89 GLU HGy A 89 GLU HBx 1.0 . 2.82 1360 1174 A 89 GLU HGy A 89 GLU HBy 1.0 . 2.82 1361 1174 A 89 GLU HBy A 89 GLU HGx 1.0 . 2.82 1362 1175 A 64 GLN H A 64 GLN HBx 1.0 . 3.47 1363 1176 A 19 PHE HBy A 64 GLN HBx 1.0 . 4.49 1364 1177 A 20 ASN HBy A 64 GLN HBx 1.0 . 4.29 1365 1178 A 22 LYS H A 24 ILE HG1y 1.0 . 5.50 1366 1179 A 24 ILE H A 24 ILE HG1y 1.0 . 3.80 1367 1180 A 61 GLY HAy A 24 ILE HG1y 1.0 . 5.50 1368 1181 A 69 PHE HE% A 24 ILE HG1x 1.0 . 5.03 1369 1181 A 69 PHE HD% A 24 ILE HG1x 1.0 . 5.03 1370 1182 A 10 THR HG2% A 48 SER HBx 1.0 . 5.50 1371 1183 A 64 GLN HBy A 65 SER H 1.0 . 5.50 1372 1184 A 64 GLN HBx A 64 GLN HE2x 1.0 . 5.50 1373 1185 A 23 ASN H A 24 ILE HG1y 1.0 . 5.50 1374 1186 A 47 PHE HBx A 48 SER HBx 1.0 . 5.32 1375 1187 A 51 ALA HB% A 49 SER HBy 1.0 . 5.50 1376 1188 A 28 TRP HE1 A 49 SER HBy 1.0 . 5.50 1377 1189 A 49 SER HBy A 28 TRP HBy 1.0 . 5.50 1378 1190 A 11 ILE HD1% A 49 SER HBy 1.0 . 4.93 1379 1191 A 49 SER HBx A 11 ILE HD1% 1.0 . 5.16 1380 1192 A 49 SER HBx A 11 ILE HG1y 1.0 . 5.43 1381 1193 A 32 LYS HDy A 28 TRP HZ2 1.0 . 5.50 1382 1194 A 32 LYS HDy A 32 LYS HA 1.0 . 3.93 1383 1195 A 32 LYS HDy A 50 ASP HBx 1.0 . 5.15 1384 1196 A 54 VAL H A 53 SER HBy 1.0 . 3.62 1385 1197 A 9 THR HG2% A 53 SER HBy 1.0 . 5.41 1386 1198 A 9 THR HG2% A 53 SER HBx 1.0 . 5.50 1387 1199 A 11 ILE HG1x A 49 SER HBy 1.0 . 5.50 1388 1200 A 49 SER HBx A 11 ILE HG1x 1.0 . 5.13 1389 1201 A 32 LYS HA A 32 LYS HDx 1.0 . 4.05 1390 1202 A 53 SER H A 53 SER HBy 1.0 . 4.01 1391 1203 A 54 VAL HGx% A 53 SER HBy 1.0 . 5.50 1392 1204 A 53 SER H A 53 SER HBx 1.0 . 4.12 1393 1205 A 54 VAL H A 53 SER HBx 1.0 . 3.73 1394 1206 A 54 VAL HGx% A 53 SER HBx 1.0 . 5.50 1395 1207 A 53 SER HBy A 79 LYS HGx 1.0 . 5.50 1396 1207 A 79 LYS HGy A 53 SER HBy 1.0 . 5.50 1397 1208 A 14 ILE HG1y A 14 ILE HA 1.0 . 4.24 1398 1209 A 44 SER HBy A 14 ILE HG1y 1.0 . 4.12 1399 1210 A 11 ILE HG1y A 57 MET HE% 1.0 . 5.32 1400 1211 A 44 SER HA A 14 ILE HG1x 1.0 . 5.01 1401 1212 A 12 ARG HDy A 14 ILE HG1x 1.0 . 4.94 1402 1213 A 14 ILE HG1x A 12 ARG HDx 1.0 . 5.50 1403 1214 A 12 ARG HDy A 14 ILE HG1y 1.0 . 5.50 1404 1215 A 14 ILE HG1y A 84 PHE HA 1.0 . 5.14 1405 1216 A 11 ILE H A 11 ILE HG1y 1.0 . 5.50 1406 1217 A 14 ILE HG1x A 14 ILE HA 1.0 . 4.10 1407 1218 A 15 ASN H A 14 ILE HG1x 1.0 . 5.50 1408 1219 A 14 ILE HG1x A 13 LEU HA 1.0 . 5.08 1409 1220 A 12 ARG H A 11 ILE HG1x 1.0 . 5.50 1410 1221 A 11 ILE HG1x A 57 MET HE% 1.0 . 5.50 1411 1222 A 11 ILE HG1x A 81 THR HB 1.0 . 4.98 1412 1223 A 11 ILE HG1x A 26 VAL HGy% 1.0 . 5.50 1413 1224 A 14 ILE HD1% A 82 ARG HGy 1.0 . 4.94 1414 1225 A 47 PHE HE% A 13 LEU HG 1.0 . 4.64 1415 1226 A 45 ILE HG2% A 13 LEU HG 1.0 . 4.23 1416 1227 A 13 LEU H A 13 LEU HG 1.0 . 4.28 1417 1228 A 14 ILE HD1% A 82 ARG HGx 1.0 . 4.79 1418 1229 A 82 ARG H A 82 ARG HGx 1.0 . 4.81 1419 1230 A 81 THR H A 82 ARG HGx 1.0 . 5.50 1420 1231 A 82 ARG HGx A 12 ARG HDx 1.0 . 5.50 1421 1232 A 88 ASP H A 87 LEU HG 1.0 . 5.50 1422 1233 A 74 LYS HA A 76 LEU HG 1.0 . 5.38 1423 1234 A 42 HIS HD2 A 41 SER HBx 1.0 . 5.50 1424 1234 A 41 SER HBy A 42 HIS HD2 1.0 . 5.50 1425 1235 A 91 ALA HA A 87 LEU HG 1.0 . 5.38 1426 1236 A 94 GLN H A 87 LEU HG 1.0 . 5.50 1427 1237 A 87 LEU H A 87 LEU HG 1.0 . 3.81 1428 1238 A 17 THR HG2% A 87 LEU HG 1.0 . 3.54 1429 1239 A 17 THR HA A 87 LEU HG 1.0 . 4.79 1430 1240 A 93 VAL HA A 87 LEU HG 1.0 . 5.50 1431 1241 A 77 VAL H A 76 LEU HG 1.0 . 5.35 1432 1242 A 76 LEU HA A 76 LEU HG 1.0 . 4.17 1433 1243 A 76 LEU H A 76 LEU HG 1.0 . 3.62 1434 1244 A 73 PHE HBx A 76 LEU HG 1.0 . 5.50 1435 1245 A 55 TYR HA A 76 LEU HG 1.0 . 5.50 1436 1246 A 85 ILE H A 85 ILE HG1x 1.0 . 4.77 1437 1247 A 94 GLN HGx A 93 VAL HA 1.0 . 5.49 1438 1248 A 82 ARG HGy A 81 THR HA 1.0 . 5.09 1439 1249 A 81 THR HA A 81 THR HG2% 1.0 . 3.14 1440 1250 A 94 GLN H A 93 VAL HA 1.0 . 2.89 1441 1251 A 93 VAL HA A 87 LEU HA 1.0 . 3.39 1442 1252 A 65 SER HBy A 67 GLU HGx 1.0 . 5.50 1443 1252 A 67 GLU HGy A 65 SER HBy 1.0 . 5.50 1444 1253 A 64 GLN HBx A 65 SER HBx 1.0 . 5.45 1445 1254 A 15 ASN HD2x A 41 SER HBx 1.0 . 5.50 1446 1254 A 15 ASN HD2x A 41 SER HBy 1.0 . 5.50 1447 1255 A 84 PHE HE% A 98 PRO HGy 1.0 . 4.53 1448 1256 A 97 ILE HA A 98 PRO HGy 1.0 . 4.75 1449 1257 A 84 PHE HE% A 98 PRO HGx 1.0 . 4.48 1450 1258 A 85 ILE HA A 85 ILE HG1y 1.0 . 4.22 1451 1259 A 12 ARG HGy A 13 LEU HA 1.0 . 5.50 1452 1260 A 85 ILE HG1x A 15 ASN HA 1.0 . 5.13 1453 1261 A 69 PHE HE% A 85 ILE HG1x 1.0 . 5.21 1454 1261 A 85 ILE HG1x A 69 PHE HD% 1.0 . 5.21 1455 1262 A 85 ILE HG2% A 85 ILE HG1x 1.0 . 4.04 1456 1263 A 82 ARG H A 81 THR HA 1.0 . 2.93 1457 1264 A 97 ILE HG2% A 81 THR HA 1.0 . 5.01 1458 1265 A 11 ILE HG2% A 81 THR HA 1.0 . 5.33 1459 1266 A 67 GLU HBy A 65 SER HBy 1.0 . 5.50 1460 1267 A 66 GLY H A 65 SER HBy 1.0 . 4.97 1461 1268 A 84 PHE H A 97 ILE HG1y 1.0 . 5.50 1462 1269 A 73 PHE HE% A 97 ILE HG1x 1.0 . 5.50 1463 1270 A 102 ILE HG1y A 102 ILE H 1.0 . 4.42 1464 1271 A 102 ILE HG1x A 102 ILE H 1.0 . 4.25 1465 1272 A 39 LEU H A 39 LEU HDx% 1.0 . 5.21 1466 1273 A 39 LEU HDx% A 43 ASP HBy 1.0 . 5.49 1467 1274 A 15 ASN HA A 39 LEU HDx% 1.0 . 4.60 1468 1275 A 97 ILE H A 97 ILE HG1x 1.0 . 5.50 1469 1276 A 14 ILE HD1% A 12 ARG HGy 1.0 . 5.43 1470 1277 A 12 ARG HGy A 12 ARG H 1.0 . 5.50 1471 1278 A 12 ARG HGy A 46 ASP HA 1.0 . 5.50 1472 1279 A 14 ILE HD1% A 12 ARG HGx 1.0 . 4.69 1473 1280 A 40 GLY H A 39 LEU HDx% 1.0 . 5.00 1474 1281 A 45 ILE H A 39 LEU HDx% 1.0 . 4.90 1475 1282 A 15 ASN H A 39 LEU HDx% 1.0 . 4.21 1476 1283 A 15 ASN HD2x A 39 LEU HDx% 1.0 . 5.12 1477 1284 A 39 LEU HDx% A 39 LEU HA 1.0 . 4.22 1478 1285 A 14 ILE HA A 39 LEU HDx% 1.0 . 4.78 1479 1286 A 15 ASN HBy A 39 LEU HDx% 1.0 . 3.98 1480 1287 A 15 ASN HBx A 39 LEU HDx% 1.0 . 3.74 1481 1288 A 39 LEU HBy A 39 LEU HDx% 1.0 . 3.48 1482 1289 A 39 LEU HBx A 39 LEU HDx% 1.0 . 3.09 1483 1290 A 55 TYR HE% A 54 VAL HA 1.0 . 5.11 1484 1291 A 99 GLN H A 98 PRO HA 1.0 . 2.88 1485 1292 A 84 PHE HE% A 98 PRO HA 1.0 . 4.09 1486 1293 A 51 ALA HB% A 54 VAL HA 1.0 . 5.02 1487 1294 A 55 TYR HD% A 54 VAL HA 1.0 . 4.81 1488 1295 A 55 TYR H A 54 VAL HA 1.0 . 3.30 1489 1296 A 29 ASN HD2y A 54 VAL HA 1.0 . 3.81 1490 1297 A 56 LYS H A 54 VAL HA 1.0 . 4.32 1491 1298 A 11 ILE H A 10 THR HA 1.0 . 3.04 1492 1299 A 93 VAL HA A 87 LEU HDy% 1.0 . 5.45 1493 1300 A 9 THR HG2% A 10 THR HA 1.0 . 5.09 1494 1301 A 87 LEU H A 87 LEU HDy% 1.0 . 4.38 1495 1302 A 19 PHE HE% A 87 LEU HDy% 1.0 . 4.20 1496 1303 A 18 TYR H A 87 LEU HDy% 1.0 . 3.84 1497 1304 A 91 ALA HA A 87 LEU HDy% 1.0 . 3.93 1498 1305 A 87 LEU HBy A 87 LEU HDy% 1.0 . 3.17 1499 1306 A 87 LEU HBx A 87 LEU HDy% 1.0 . 3.48 1500 1307 A 88 ASP H A 87 LEU HDy% 1.0 . 5.50 1501 1308 A 87 LEU HDy% A 87 LEU HA 1.0 . 4.45 1502 1309 A 17 THR HA A 87 LEU HDy% 1.0 . 4.30 1503 1310 A 17 THR HB A 87 LEU HDy% 1.0 . 4.28 1504 1311 A 11 ILE HB A 10 THR HA 1.0 . 4.70 1505 1312 A 73 PHE H A 76 LEU HDx% 1.0 . 5.50 1506 1313 A 74 LYS H A 76 LEU HDx% 1.0 . 5.50 1507 1314 A 57 MET H A 76 LEU HDx% 1.0 . 4.03 1508 1315 A 76 LEU H A 76 LEU HDx% 1.0 . 4.14 1509 1316 A 56 LYS H A 76 LEU HDx% 1.0 . 5.01 1510 1317 A 73 PHE HD% A 76 LEU HDx% 1.0 . 4.70 1511 1318 A 76 LEU HDx% A 57 MET HA 1.0 . 5.50 1512 1319 A 76 LEU HDx% A 55 TYR HA 1.0 . 4.75 1513 1320 A 56 LYS HA A 76 LEU HDx% 1.0 . 4.00 1514 1321 A 76 LEU HDx% A 76 LEU HA 1.0 . 4.06 1515 1322 A 73 PHE HBy A 76 LEU HDx% 1.0 . 3.98 1516 1323 A 73 PHE HBx A 76 LEU HDx% 1.0 . 3.90 1517 1324 A 56 LYS HBy A 76 LEU HDx% 1.0 . 5.46 1518 1325 A 57 MET HBy A 76 LEU HDx% 1.0 . 4.28 1519 1326 A 76 LEU HBy A 76 LEU HDx% 1.0 . 3.46 1520 1327 A 97 ILE HD1% A 76 LEU HDx% 1.0 . 3.74 1521 1328 A 83 VAL H A 13 LEU HDy% 1.0 . 4.82 1522 1329 A 83 VAL HB A 13 LEU HDy% 1.0 . 3.56 1523 1330 A 11 ILE HG2% A 13 LEU HDy% 1.0 . 4.25 1524 1331 A 14 ILE H A 13 LEU HDy% 1.0 . 4.13 1525 1332 A 13 LEU HA A 13 LEU HDy% 1.0 . 3.83 1526 1333 A 10 THR H A 9 THR HA 1.0 . 3.08 1527 1334 A 38 THR HA A 22 LYS HBx 1.0 . 3.88 1528 1334 A 22 LYS HBy A 38 THR HA 1.0 . 3.88 1529 1335 A 39 LEU H A 38 THR HA 1.0 . 2.88 1530 1336 A 24 ILE HD1% A 38 THR HA 1.0 . 5.04 1531 1337 A 10 THR HG2% A 9 THR HA 1.0 . 5.40 1532 1338 A 78 GLY HAx A 77 VAL HA 1.0 . 4.97 1533 1339 A 76 LEU HBx A 77 VAL HA 1.0 . 5.37 1534 1340 A 44 SER HBx A 14 ILE HA 1.0 . 3.55 1535 1341 A 63 THR HA A 62 THR HG2% 1.0 . 4.39 1536 1342 A 85 ILE HG2% A 17 THR HA 1.0 . 5.50 1537 1343 A 78 GLY H A 77 VAL HA 1.0 . 3.01 1538 1344 A 15 ASN H A 14 ILE HA 1.0 . 3.15 1539 1345 A 15 ASN HBx A 14 ILE HA 1.0 . 4.80 1540 1346 A 14 ILE HD1% A 14 ILE HA 1.0 . 4.58 1541 1347 A 36 VAL HA A 37 ASN HBx 1.0 . 4.28 1542 1347 A 37 ASN HBy A 36 VAL HA 1.0 . 4.28 1543 1348 A 103 ASP H A 102 ILE HA 1.0 . 3.04 1544 1349 A 69 PHE H A 68 LYS HGy 1.0 . 4.98 1545 1350 A 68 LYS H A 68 LYS HGx 1.0 . 4.40 1546 1351 A 26 VAL HA A 25 LYS HEy 1.0 . 4.83 1547 1352 A 17 THR HA A 18 TYR H 1.0 . 3.13 1548 1353 A 17 THR HA A 18 TYR HBx 1.0 . 5.37 1549 1354 A 36 VAL HA A 36 VAL HGx% 1.0 . 3.14 1550 1355 A 68 LYS H A 68 LYS HGy 1.0 . 4.43 1551 1356 A 68 LYS HGy A 68 LYS HDx 1.0 . 2.91 1552 1356 A 68 LYS HGy A 68 LYS HDy 1.0 . 2.91 1553 1357 A 9 THR HA A 79 LYS HGx 1.0 . 5.07 1554 1357 A 79 LYS HGy A 9 THR HA 1.0 . 5.07 1555 1358 A 68 LYS HGx A 68 LYS HDx 1.0 . 3.01 1556 1358 A 68 LYS HGx A 68 LYS HDy 1.0 . 3.01 1557 1359 A 26 VAL H A 25 LYS HGx 1.0 . 4.83 1558 1359 A 26 VAL H A 25 LYS HGy 1.0 . 4.83 1559 1360 A 25 LYS HDy A 25 LYS HGx 1.0 . 2.99 1560 1360 A 25 LYS HDx A 25 LYS HGx 1.0 . 2.99 1561 1360 A 25 LYS HGy A 25 LYS HDx 1.0 . 2.99 1562 1360 A 25 LYS HGy A 25 LYS HDy 1.0 . 2.99 1563 1361 A 13 LEU H A 13 LEU HDx% 1.0 . 3.79 1564 1362 A 83 VAL H A 13 LEU HDx% 1.0 . 5.06 1565 1363 A 13 LEU HA A 13 LEU HDx% 1.0 . 3.56 1566 1364 A 83 VAL HA A 13 LEU HDx% 1.0 . 5.50 1567 1365 A 83 VAL HB A 13 LEU HDx% 1.0 . 3.52 1568 1366 A 83 VAL HGy% A 13 LEU HDx% 1.0 . 3.73 1569 1367 A 14 ILE HD1% A 13 LEU HDx% 1.0 . 4.34 1570 1368 A 11 ILE HG2% A 13 LEU HDx% 1.0 . 4.26 1571 1369 A 35 THR HA A 36 VAL H 1.0 . 2.95 1572 1370 A 35 THR HA A 36 VAL HGy% 1.0 . 4.36 1573 1371 A 59 VAL HA A 27 THR H 1.0 . 3.87 1574 1372 A 59 VAL HA A 60 THR H 1.0 . 2.97 1575 1373 A 27 THR H A 26 VAL HA 1.0 . 3.15 1576 1374 A 26 VAL HA A 60 THR H 1.0 . 5.10 1577 1375 A 26 VAL HA A 26 VAL HGy% 1.0 . 3.83 1578 1376 A 17 THR HA A 19 PHE H 1.0 . 4.44 1579 1377 A 53 SER HBx A 79 LYS HGx 1.0 . 5.50 1580 1377 A 79 LYS HGy A 53 SER HBx 1.0 . 5.50 1581 1378 A 35 THR HB A 25 LYS HGx 1.0 . 5.50 1582 1378 A 35 THR HB A 25 LYS HGy 1.0 . 5.50 1583 1379 A 25 LYS HGy A 33 GLU HGx 1.0 . 4.62 1584 1379 A 33 GLU HGy A 25 LYS HGx 1.0 . 4.62 1585 1379 A 25 LYS HGy A 33 GLU HGy 1.0 . 4.62 1586 1379 A 25 LYS HGx A 33 GLU HGx 1.0 . 4.62 1587 1380 A 35 THR HA A 25 LYS HGx 1.0 . 4.58 1588 1380 A 35 THR HA A 25 LYS HGy 1.0 . 4.58 1589 1381 A 28 TRP HE1 A 32 LYS HGx 1.0 . 5.17 1590 1381 A 28 TRP HE1 A 32 LYS HGy 1.0 . 5.17 1591 1382 A 33 GLU H A 32 LYS HGx 1.0 . 4.68 1592 1382 A 33 GLU H A 32 LYS HGy 1.0 . 4.68 1593 1383 A 32 LYS H A 32 LYS HGx 1.0 . 3.77 1594 1383 A 32 LYS H A 32 LYS HGy 1.0 . 3.77 1595 1384 A 32 LYS HEy A 32 LYS HGx 1.0 . 4.17 1596 1384 A 32 LYS HEy A 32 LYS HGy 1.0 . 4.17 1597 1385 A 35 THR HA A 25 LYS HA 1.0 . 3.47 1598 1386 A 26 VAL HA A 13 LEU HDy% 1.0 . 4.87 1599 1387 A 8 THR HA A 9 THR H 1.0 . 2.92 1600 1388 A 85 ILE HA A 86 GLU H 1.0 . 3.03 1601 1389 A 85 ILE HA A 85 ILE HG1x 1.0 . 3.80 1602 1390 A 85 ILE HA A 95 VAL HA 1.0 . 3.60 1603 1391 A 79 LYS HA A 79 LYS HGx 1.0 . 3.57 1604 1391 A 79 LYS HGy A 79 LYS HA 1.0 . 3.57 1605 1392 A 78 GLY HAx A 79 LYS HGx 1.0 . 5.50 1606 1392 A 79 LYS HGy A 78 GLY HAx 1.0 . 5.50 1607 1393 A 59 VAL HGx% A 70 THR HA 1.0 . 4.47 1608 1394 A 59 VAL HB A 70 THR HA 1.0 . 5.05 1609 1395 A 8 THR HA A 7 GLU HBx 1.0 . 5.50 1610 1396 A 83 VAL HA A 84 PHE HA 1.0 . 4.67 1611 1397 A 70 THR HA A 71 GLY H 1.0 . 3.05 1612 1398 A 21 VAL HA A 23 ASN HD2x 1.0 . 4.88 1613 1399 A 83 VAL HA A 84 PHE H 1.0 . 3.05 1614 1400 A 95 VAL HGy% A 83 VAL HA 1.0 . 4.93 1615 1401 A 83 VAL HA A 97 ILE HA 1.0 . 4.18 1616 1402 A 74 LYS HGx A 74 LYS HEx 1.0 . 4.03 1617 1402 A 74 LYS HGx A 74 LYS HEy 1.0 . 4.03 1618 1403 A 74 LYS H A 74 LYS HGx 1.0 . 5.50 1619 1404 A 62 THR HA A 68 LYS HBx 1.0 . 5.26 1620 1405 A 62 THR HA A 63 THR H 1.0 . 2.98 1621 1406 A 69 PHE H A 62 THR HA 1.0 . 3.67 1622 1407 A 62 THR HA A 67 GLU H 1.0 . 5.50 1623 1408 A 69 PHE HE% A 62 THR HA 1.0 . 3.86 1624 1408 A 62 THR HA A 69 PHE HD% 1.0 . 3.86 1625 1409 A 62 THR HA A 68 LYS HA 1.0 . 3.25 1626 1410 A 62 THR HA A 63 THR HG2% 1.0 . 4.51 1627 1411 A 21 VAL HA A 22 LYS HBx 1.0 . 5.26 1628 1411 A 21 VAL HA A 22 LYS HBy 1.0 . 5.26 1629 1412 A 24 ILE HA A 23 ASN H 1.0 . 4.15 1630 1413 A 24 ILE HA A 24 ILE HG1y 1.0 . 3.75 1631 1414 A 95 VAL HA A 71 GLY HAx 1.0 . 5.45 1632 1415 A 64 GLN H A 21 VAL HA 1.0 . 4.59 1633 1416 A 21 VAL HA A 22 LYS HGy 1.0 . 5.14 1634 1417 A 18 TYR HE% A 87 LEU HDx% 1.0 . 5.50 1635 1418 A 96 PHE H A 95 VAL HA 1.0 . 3.09 1636 1419 A 95 VAL HA A 96 PHE HBx 1.0 . 4.61 1637 1419 A 96 PHE HBy A 95 VAL HA 1.0 . 4.61 1638 1420 A 45 ILE HA A 44 SER HBy 1.0 . 5.26 1639 1421 A 11 ILE HA A 12 ARG HBy 1.0 . 5.02 1640 1422 A 23 ASN H A 22 LYS HGy 1.0 . 5.42 1641 1423 A 22 LYS HGy A 64 GLN HA 1.0 . 5.50 1642 1424 A 19 PHE HD% A 87 LEU HDx% 1.0 . 5.15 1643 1425 A 94 GLN H A 87 LEU HDx% 1.0 . 4.22 1644 1426 A 88 ASP H A 87 LEU HDx% 1.0 . 3.95 1645 1427 A 87 LEU H A 87 LEU HDx% 1.0 . 3.75 1646 1428 A 92 ASP H A 87 LEU HDx% 1.0 . 4.76 1647 1429 A 19 PHE HE% A 87 LEU HDx% 1.0 . 3.74 1648 1430 A 87 LEU HA A 87 LEU HDx% 1.0 . 3.09 1649 1431 A 93 VAL HA A 87 LEU HDx% 1.0 . 3.44 1650 1432 A 91 ALA HA A 87 LEU HDx% 1.0 . 3.91 1651 1433 A 17 THR HB A 87 LEU HDx% 1.0 . 4.26 1652 1434 A 87 LEU HBy A 87 LEU HDx% 1.0 . 3.41 1653 1435 A 93 VAL HGy% A 87 LEU HDx% 1.0 . 4.13 1654 1436 A 27 THR HA A 28 TRP HE3 1.0 . 4.44 1655 1437 A 61 GLY HAx A 60 THR HA 1.0 . 5.46 1656 1438 A 59 VAL HGx% A 60 THR HA 1.0 . 4.42 1657 1439 A 62 THR HB A 22 LYS HGy 1.0 . 4.65 1658 1440 A 22 LYS HGx A 22 LYS HEx 1.0 . 4.11 1659 1440 A 22 LYS HEy A 22 LYS HGx 1.0 . 4.11 1660 1441 A 22 LYS H A 22 LYS HGx 1.0 . 4.17 1661 1442 A 64 GLN HA A 22 LYS HGx 1.0 . 5.50 1662 1443 A 23 ASN HBx A 22 LYS HGx 1.0 . 5.50 1663 1444 A 27 THR HA A 33 GLU HBx 1.0 . 4.73 1664 1445 A 69 PHE HE% A 60 THR HA 1.0 . 4.69 1665 1445 A 69 PHE HD% A 60 THR HA 1.0 . 4.69 1666 1446 A 69 PHE H A 60 THR HA 1.0 . 4.62 1667 1447 A 45 ILE HA A 46 ASP H 1.0 . 2.82 1668 1448 A 70 THR HB A 60 THR HA 1.0 . 4.63 1669 1449 A 70 THR HA A 60 THR HA 1.0 . 3.29 1670 1450 A 57 MET H A 56 LYS HGy 1.0 . 5.23 1671 1451 A 29 ASN H A 56 LYS HGy 1.0 . 5.44 1672 1452 A 56 LYS H A 56 LYS HGy 1.0 . 5.24 1673 1453 A 29 ASN HA A 56 LYS HGy 1.0 . 4.84 1674 1454 A 29 ASN H A 56 LYS HGx 1.0 . 4.72 1675 1455 A 40 GLY H A 39 LEU HDy% 1.0 . 3.45 1676 1456 A 39 LEU HDy% A 45 ILE H 1.0 . 4.22 1677 1457 A 39 LEU HDy% A 44 SER HA 1.0 . 3.89 1678 1458 A 39 LEU HDy% A 43 ASP HA 1.0 . 4.93 1679 1459 A 39 LEU HDy% A 39 LEU HA 1.0 . 3.05 1680 1460 A 39 LEU HDy% A 43 ASP HBy 1.0 . 3.55 1681 1461 A 39 LEU HDy% A 15 ASN HBx 1.0 . 4.72 1682 1462 A 45 ILE HG2% A 39 LEU HDy% 1.0 . 3.16 1683 1463 A 39 LEU HDy% A 40 GLY HAx 1.0 . 5.29 1684 1464 A 39 LEU HDy% A 44 SER HBx 1.0 . 5.15 1685 1465 A 28 TRP HA A 56 LYS HGy 1.0 . 5.50 1686 1466 A 76 LEU HBy A 76 LEU HDy% 1.0 . 3.35 1687 1467 A 63 THR HA A 64 GLN HA 1.0 . 4.35 1688 1468 A 64 GLN HA A 64 GLN HGx 1.0 . 2.98 1689 1468 A 64 GLN HA A 64 GLN HGy 1.0 . 2.98 1690 1469 A 64 GLN HA A 22 LYS HDx 1.0 . 3.95 1691 1469 A 22 LYS HDy A 64 GLN HA 1.0 . 3.95 1692 1470 A 42 HIS H A 41 SER HA 1.0 . 2.89 1693 1471 A 41 SER HA A 40 GLY HAy 1.0 . 4.91 1694 1472 A 15 ASN HD2x A 41 SER HA 1.0 . 3.97 1695 1473 A 15 ASN HBx A 41 SER HA 1.0 . 5.33 1696 1474 A 69 PHE HE% A 93 VAL HGx% 1.0 . 4.27 1697 1474 A 93 VAL HGx% A 69 PHE HD% 1.0 . 4.27 1698 1475 A 76 LEU H A 76 LEU HDy% 1.0 . 4.08 1699 1476 A 73 PHE HD% A 76 LEU HDy% 1.0 . 4.11 1700 1477 A 74 LYS HA A 76 LEU HDy% 1.0 . 5.50 1701 1478 A 74 LYS H A 76 LEU HDy% 1.0 . 5.45 1702 1479 A 77 VAL H A 76 LEU HDy% 1.0 . 3.71 1703 1480 A 76 LEU HDy% A 76 LEU HA 1.0 . 3.09 1704 1481 A 39 LEU HDy% A 14 ILE HA 1.0 . 5.50 1705 1482 A 88 ASP HBy A 89 GLU HA 1.0 . 5.03 1706 1483 A 93 VAL HGx% A 67 GLU HGx 1.0 . 5.23 1707 1483 A 93 VAL HGx% A 67 GLU HGy 1.0 . 5.23 1708 1484 A 93 VAL HGx% A 93 VAL H 1.0 . 3.19 1709 1485 A 93 VAL HGx% A 92 ASP HA 1.0 . 3.90 1710 1486 A 93 VAL HGx% A 93 VAL HA 1.0 . 3.34 1711 1487 A 73 PHE HBy A 76 LEU HDy% 1.0 . 3.70 1712 1488 A 73 PHE HBx A 76 LEU HDy% 1.0 . 4.16 1713 1489 A 76 LEU HDy% A 99 GLN HGx 1.0 . 4.24 1714 1489 A 76 LEU HDy% A 99 GLN HGy 1.0 . 4.24 1715 1490 A 89 GLU HA A 89 GLU HGx 1.0 . 3.46 1716 1490 A 89 GLU HGy A 89 GLU HA 1.0 . 3.46 1717 1491 A 89 GLU HA A 89 GLU HBx 1.0 . 2.70 1718 1491 A 89 GLU HBy A 89 GLU HA 1.0 . 2.70 1719 1492 A 69 PHE H A 63 THR HG2% 1.0 . 5.50 1720 1493 A 89 GLU HA A 88 ASP HA 1.0 . 5.50 1721 1494 A 63 THR HG2% A 63 THR H 1.0 . 3.24 1722 1495 A 63 THR HG2% A 67 GLU H 1.0 . 4.37 1723 1496 A 69 PHE HE% A 63 THR HG2% 1.0 . 3.30 1724 1496 A 63 THR HG2% A 69 PHE HD% 1.0 . 3.30 1725 1497 A 63 THR HG2% A 63 THR HA 1.0 . 3.13 1726 1498 A 63 THR HG2% A 69 PHE HBx 1.0 . 5.09 1727 1499 A 63 THR HG2% A 67 GLU HBx 1.0 . 3.71 1728 1500 A 63 THR HG2% A 21 VAL HGx% 1.0 . 3.67 1729 1501 A 93 VAL HGx% A 63 THR HG2% 1.0 . 3.39 1730 1502 A 63 THR HG2% A 93 VAL HGy% 1.0 . 4.01 1731 1503 A 63 THR HG2% A 19 PHE HBx 1.0 . 5.50 1732 1504 A 65 SER HA A 64 GLN HGx 1.0 . 5.36 1733 1504 A 64 GLN HGy A 65 SER HA 1.0 . 5.36 1734 1505 A 9 THR HG2% A 10 THR H 1.0 . 3.63 1735 1506 A 9 THR HG2% A 9 THR H 1.0 . 3.66 1736 1507 A 9 THR HG2% A 80 ASP H 1.0 . 4.69 1737 1508 A 53 SER H A 9 THR HG2% 1.0 . 5.11 1738 1509 A 9 THR HG2% A 9 THR HA 1.0 . 3.31 1739 1510 A 9 THR HG2% A 52 GLY HAx 1.0 . 4.72 1740 1511 A 9 THR HG2% A 79 LYS HBy 1.0 . 4.31 1741 1512 A 96 PHE H A 95 VAL HGy% 1.0 . 3.66 1742 1513 A 95 VAL HGy% A 95 VAL HA 1.0 . 3.32 1743 1514 A 95 VAL HGy% A 85 ILE HG2% 1.0 . 4.63 1744 1515 A 93 VAL H A 93 VAL HGy% 1.0 . 4.02 1745 1516 A 69 PHE HE% A 93 VAL HGy% 1.0 . 3.76 1746 1516 A 69 PHE HD% A 93 VAL HGy% 1.0 . 3.76 1747 1517 A 93 VAL HGy% A 94 GLN HA 1.0 . 4.66 1748 1518 A 85 ILE HA A 93 VAL HGy% 1.0 . 4.87 1749 1519 A 93 VAL HA A 93 VAL HGy% 1.0 . 3.48 1750 1520 A 93 VAL HGy% A 94 GLN HBy 1.0 . 5.50 1751 1521 A 51 ALA HB% A 9 THR HG2% 1.0 . 4.47 1752 1522 A 9 THR HG2% A 54 VAL HGx% 1.0 . 4.27 1753 1523 A 11 ILE HG2% A 26 VAL HGy% 1.0 . 5.04 1754 1524 A 11 ILE HD1% A 26 VAL HGy% 1.0 . 5.26 1755 1525 A 21 VAL HGx% A 22 LYS H 1.0 . 3.78 1756 1526 A 21 VAL HGx% A 21 VAL H 1.0 . 3.99 1757 1527 A 21 VAL HGx% A 15 ASN HD2y 1.0 . 3.89 1758 1528 A 19 PHE HD% A 21 VAL HGx% 1.0 . 4.16 1759 1529 A 69 PHE HE% A 21 VAL HGx% 1.0 . 3.30 1760 1529 A 69 PHE HD% A 21 VAL HGx% 1.0 . 3.30 1761 1530 A 15 ASN HD2x A 21 VAL HGx% 1.0 . 4.89 1762 1531 A 21 VAL HGx% A 21 VAL HA 1.0 . 3.27 1763 1532 A 21 VAL HGx% A 19 PHE HBy 1.0 . 4.81 1764 1533 A 85 ILE HG2% A 21 VAL HGx% 1.0 . 3.77 1765 1534 A 63 THR HB A 21 VAL HGx% 1.0 . 4.51 1766 1535 A 95 VAL HGy% A 71 GLY H 1.0 . 5.50 1767 1536 A 95 VAL HGy% A 95 VAL H 1.0 . 4.26 1768 1537 A 95 VAL HGy% A 97 ILE HD1% 1.0 . 4.52 1769 1538 A 95 VAL HGy% A 72 HIS H 1.0 . 5.50 1770 1539 A 94 GLN H A 93 VAL HGy% 1.0 . 3.59 1771 1540 A 86 GLU H A 93 VAL HGy% 1.0 . 4.72 1772 1541 A 57 MET HGy A 26 VAL HGy% 1.0 . 5.26 1773 1542 A 27 THR H A 26 VAL HGy% 1.0 . 4.84 1774 1543 A 21 VAL HGx% A 19 PHE HE% 1.0 . 4.15 1775 1544 A 63 THR HA A 21 VAL HGx% 1.0 . 3.34 1776 1545 A 26 VAL HGx% A 11 ILE HG2% 1.0 . 5.47 1777 1546 A 81 THR H A 81 THR HG2% 1.0 . 4.38 1778 1547 A 57 MET HE% A 81 THR HG2% 1.0 . 3.88 1779 1548 A 9 THR HG2% A 81 THR HG2% 1.0 . 5.50 1780 1549 A 82 ARG H A 81 THR HG2% 1.0 . 3.64 1781 1550 A 11 ILE HD1% A 81 THR HG2% 1.0 . 5.27 1782 1551 A 54 VAL HGy% A 28 TRP H 1.0 . 5.50 1783 1552 A 54 VAL HGy% A 76 LEU H 1.0 . 5.50 1784 1553 A 53 SER HBy A 53 SER HA 1.0 . 2.97 1785 1554 A 54 VAL HGx% A 53 SER HA 1.0 . 4.54 1786 1555 A 27 THR HG2% A 30 ASP H 1.0 . 5.50 1787 1556 A 33 GLU H A 27 THR HG2% 1.0 . 5.50 1788 1557 A 26 VAL HGx% A 57 MET HE% 1.0 . 4.92 1789 1558 A 54 VAL HGy% A 55 TYR H 1.0 . 3.60 1790 1559 A 54 VAL HGy% A 29 ASN HD2y 1.0 . 5.03 1791 1560 A 54 VAL HGy% A 28 TRP HA 1.0 . 4.48 1792 1561 A 54 VAL HGy% A 28 TRP HBy 1.0 . 3.74 1793 1562 A 11 ILE HD1% A 54 VAL HGy% 1.0 . 5.21 1794 1563 A 29 ASN H A 54 VAL HGy% 1.0 . 4.55 1795 1564 A 54 VAL HGy% A 56 LYS H 1.0 . 3.85 1796 1565 A 54 VAL HGy% A 28 TRP HE3 1.0 . 5.50 1797 1566 A 54 VAL HGy% A 56 LYS HA 1.0 . 4.22 1798 1567 A 54 VAL HGy% A 54 VAL HA 1.0 . 3.55 1799 1568 A 28 TRP HBx A 54 VAL HGy% 1.0 . 4.05 1800 1569 A 54 VAL HGy% A 57 MET HE% 1.0 . 3.67 1801 1570 A 97 ILE HA A 98 PRO HDy 1.0 . 3.41 1802 1571 A 54 VAL H A 53 SER HA 1.0 . 2.81 1803 1572 A 54 VAL HB A 53 SER HA 1.0 . 4.96 1804 1573 A 9 THR HG2% A 53 SER HA 1.0 . 3.99 1805 1574 A 11 ILE HD1% A 49 SER HA 1.0 . 4.29 1806 1575 A 27 THR H A 27 THR HG2% 1.0 . 3.95 1807 1576 A 27 THR HG2% A 28 TRP H 1.0 . 3.68 1808 1577 A 27 THR HG2% A 31 GLY H 1.0 . 4.37 1809 1578 A 27 THR HG2% A 28 TRP HE3 1.0 . 5.18 1810 1579 A 27 THR HA A 27 THR HG2% 1.0 . 3.36 1811 1580 A 27 THR HG2% A 33 GLU HA 1.0 . 3.80 1812 1581 A 26 VAL HA A 27 THR HG2% 1.0 . 5.50 1813 1582 A 27 THR HG2% A 31 GLY HAx 1.0 . 4.16 1814 1583 A 27 THR HG2% A 58 ASP HBx 1.0 . 3.64 1815 1583 A 27 THR HG2% A 58 ASP HBy 1.0 . 3.64 1816 1584 A 27 THR HG2% A 33 GLU HGx 1.0 . 3.72 1817 1584 A 33 GLU HGy A 27 THR HG2% 1.0 . 3.72 1818 1585 A 27 THR HG2% A 33 GLU HBx 1.0 . 3.45 1819 1586 A 27 THR HG2% A 32 LYS HBx 1.0 . 5.50 1820 1587 A 26 VAL HGx% A 26 VAL HA 1.0 . 3.67 1821 1588 A 11 ILE H A 10 THR HG2% 1.0 . 3.20 1822 1589 A 48 SER HA A 10 THR HG2% 1.0 . 3.40 1823 1590 A 10 THR HA A 10 THR HG2% 1.0 . 3.47 1824 1591 A 46 ASP HBy A 10 THR HG2% 1.0 . 3.82 1825 1592 A 26 VAL HGx% A 83 VAL HGy% 1.0 . 4.52 1826 1593 A 73 PHE HE% A 95 VAL HGx% 1.0 . 4.14 1827 1594 A 96 PHE H A 95 VAL HGx% 1.0 . 4.09 1828 1595 A 71 GLY H A 95 VAL HGx% 1.0 . 4.44 1829 1596 A 70 THR H A 95 VAL HGx% 1.0 . 4.57 1830 1597 A 95 VAL H A 95 VAL HGx% 1.0 . 3.47 1831 1598 A 69 PHE HD% A 95 VAL HGx% 1.0 . 3.17 1832 1598 A 69 PHE HE% A 95 VAL HGx% 1.0 . 3.17 1833 1599 A 95 VAL HA A 95 VAL HGx% 1.0 . 3.41 1834 1600 A 94 GLN HA A 95 VAL HGx% 1.0 . 4.04 1835 1601 A 71 GLY HAx A 95 VAL HGx% 1.0 . 4.60 1836 1602 A 69 PHE HBy A 95 VAL HGx% 1.0 . 4.15 1837 1603 A 54 VAL HGy% A 57 MET HGy 1.0 . 5.50 1838 1604 A 28 TRP HE1 A 54 VAL HGx% 1.0 . 5.20 1839 1605 A 54 VAL H A 54 VAL HGx% 1.0 . 3.43 1840 1606 A 54 VAL HGx% A 54 VAL HA 1.0 . 3.44 1841 1607 A 54 VAL HGx% A 49 SER HBy 1.0 . 4.20 1842 1608 A 49 SER HBx A 54 VAL HGx% 1.0 . 4.44 1843 1609 A 51 ALA HB% A 54 VAL HGx% 1.0 . 4.00 1844 1610 A 11 ILE HD1% A 54 VAL HGx% 1.0 . 3.98 1845 1611 A 14 ILE HG2% A 42 HIS HA 1.0 . 5.17 1846 1612 A 28 TRP HE1 A 49 SER HA 1.0 . 5.18 1847 1613 A 37 ASN HA A 37 ASN HBx 1.0 . 2.96 1848 1613 A 37 ASN HBy A 37 ASN HA 1.0 . 2.96 1849 1614 A 51 ALA HB% A 52 GLY H 1.0 . 3.69 1850 1615 A 51 ALA HB% A 51 ALA H 1.0 . 3.46 1851 1616 A 51 ALA HB% A 53 SER H 1.0 . 3.23 1852 1617 A 51 ALA HB% A 49 SER HA 1.0 . 5.50 1853 1618 A 51 ALA HB% A 52 GLY HAx 1.0 . 5.50 1854 1619 A 51 ALA HB% A 50 ASP HBy 1.0 . 4.07 1855 1620 A 51 ALA HB% A 29 ASN HBx 1.0 . 5.17 1856 1621 A 8 THR HG2% A 9 THR H 1.0 . 3.63 1857 1622 A 8 THR H A 8 THR HG2% 1.0 . 3.72 1858 1623 A 8 THR HA A 8 THR HG2% 1.0 . 3.20 1859 1624 A 59 VAL HGy% A 71 GLY H 1.0 . 3.81 1860 1625 A 60 THR H A 59 VAL HGy% 1.0 . 4.33 1861 1626 A 59 VAL HGy% A 73 PHE HE% 1.0 . 3.89 1862 1627 A 69 PHE HE% A 59 VAL HGy% 1.0 . 5.28 1863 1627 A 69 PHE HD% A 59 VAL HGy% 1.0 . 5.28 1864 1628 A 58 ASP HA A 59 VAL HGy% 1.0 . 4.92 1865 1629 A 59 VAL HA A 59 VAL HGy% 1.0 . 3.37 1866 1630 A 59 VAL HGy% A 57 MET HGy 1.0 . 4.52 1867 1631 A 57 MET HGx A 59 VAL HGy% 1.0 . 3.76 1868 1632 A 59 VAL HGy% A 57 MET HE% 1.0 . 5.26 1869 1633 A 83 VAL HGx% A 59 VAL HGy% 1.0 . 3.50 1870 1634 A 12 ARG H A 10 THR HG2% 1.0 . 5.39 1871 1635 A 46 ASP HA A 10 THR HG2% 1.0 . 4.40 1872 1636 A 70 THR HA A 95 VAL HGx% 1.0 . 5.50 1873 1637 A 15 ASN H A 42 HIS HA 1.0 . 4.70 1874 1638 A 27 THR H A 59 VAL HGy% 1.0 . 4.61 1875 1639 A 77 VAL HGx% A 77 VAL HA 1.0 . 3.20 1876 1640 A 83 VAL HGx% A 84 PHE H 1.0 . 3.77 1877 1641 A 83 VAL HGx% A 13 LEU HA 1.0 . 4.00 1878 1642 A 83 VAL HGx% A 83 VAL HA 1.0 . 3.41 1879 1643 A 83 VAL HGx% A 96 PHE HBx 1.0 . 5.50 1880 1643 A 83 VAL HGx% A 96 PHE HBy 1.0 . 5.50 1881 1644 A 95 VAL HGy% A 83 VAL HGx% 1.0 . 3.14 1882 1645 A 83 VAL HGx% A 14 ILE H 1.0 . 4.79 1883 1646 A 83 VAL HGx% A 73 PHE HE% 1.0 . 4.35 1884 1647 A 83 VAL HGx% A 13 LEU HDy% 1.0 . 3.28 1885 1648 A 97 ILE HA A 97 ILE HD1% 1.0 . 4.52 1886 1649 A 97 ILE HA A 98 PRO HA 1.0 . 4.38 1887 1650 A 70 THR HG2% A 70 THR H 1.0 . 3.90 1888 1651 A 69 PHE H A 70 THR HG2% 1.0 . 5.50 1889 1652 A 70 THR HG2% A 61 GLY H 1.0 . 4.79 1890 1653 A 70 THR HG2% A 70 THR HA 1.0 . 3.46 1891 1654 A 70 THR HG2% A 60 THR HG2% 1.0 . 3.38 1892 1655 A 70 THR HG2% A 71 GLY H 1.0 . 3.74 1893 1656 A 69 PHE HE% A 70 THR HG2% 1.0 . 5.35 1894 1656 A 70 THR HG2% A 69 PHE HD% 1.0 . 5.35 1895 1657 A 70 THR HG2% A 60 THR HA 1.0 . 3.91 1896 1658 A 71 GLY HAy A 70 THR HG2% 1.0 . 5.50 1897 1659 A 70 THR HG2% A 60 THR HB 1.0 . 3.98 1898 1660 A 35 THR HG2% A 25 LYS HGx 1.0 . 3.35 1899 1660 A 25 LYS HGy A 35 THR HG2% 1.0 . 3.35 1900 1661 A 78 GLY H A 77 VAL HGx% 1.0 . 3.96 1901 1662 A 24 ILE H A 36 VAL HGx% 1.0 . 5.47 1902 1663 A 68 LYS H A 62 THR HG2% 1.0 . 4.79 1903 1664 A 67 GLU H A 62 THR HG2% 1.0 . 4.10 1904 1665 A 62 THR HG2% A 67 GLU HA 1.0 . 3.58 1905 1666 A 62 THR HG2% A 68 LYS HBx 1.0 . 4.50 1906 1667 A 63 THR H A 62 THR HG2% 1.0 . 3.46 1907 1668 A 69 PHE H A 62 THR HG2% 1.0 . 4.78 1908 1669 A 62 THR H A 62 THR HG2% 1.0 . 4.18 1909 1670 A 66 GLY H A 62 THR HG2% 1.0 . 4.04 1910 1671 A 69 PHE HE% A 62 THR HG2% 1.0 . 5.06 1911 1671 A 69 PHE HD% A 62 THR HG2% 1.0 . 5.06 1912 1672 A 62 THR HA A 62 THR HG2% 1.0 . 3.30 1913 1673 A 68 LYS HA A 62 THR HG2% 1.0 . 3.66 1914 1674 A 66 GLY HAx A 62 THR HG2% 1.0 . 3.50 1915 1675 A 62 THR HG2% A 22 LYS HEx 1.0 . 3.72 1916 1675 A 22 LYS HEy A 62 THR HG2% 1.0 . 3.72 1917 1676 A 62 THR HG2% A 68 LYS HGy 1.0 . 4.77 1918 1677 A 40 GLY H A 38 THR HG2% 1.0 . 4.53 1919 1678 A 35 THR HG2% A 35 THR H 1.0 . 3.81 1920 1679 A 35 THR HA A 35 THR HG2% 1.0 . 3.25 1921 1680 A 71 GLY HAy A 59 VAL HGy% 1.0 . 4.26 1922 1681 A 37 ASN H A 36 VAL HGx% 1.0 . 3.58 1923 1682 A 36 VAL HGx% A 38 THR H 1.0 . 3.39 1924 1683 A 39 LEU H A 38 THR HG2% 1.0 . 3.66 1925 1684 A 38 THR HG2% A 20 ASN HD2y 1.0 . 5.02 1926 1685 A 38 THR HG2% A 20 ASN HD2x 1.0 . 5.03 1927 1686 A 22 LYS HA A 38 THR HG2% 1.0 . 4.23 1928 1687 A 38 THR HA A 38 THR HG2% 1.0 . 3.50 1929 1688 A 38 THR HG2% A 22 LYS HBx 1.0 . 4.56 1930 1688 A 22 LYS HBy A 38 THR HG2% 1.0 . 4.56 1931 1689 A 59 VAL HB A 60 THR HG2% 1.0 . 5.50 1932 1690 A 25 LYS H A 60 THR HG2% 1.0 . 4.28 1933 1691 A 71 GLY H A 60 THR HG2% 1.0 . 4.76 1934 1692 A 60 THR H A 60 THR HG2% 1.0 . 3.68 1935 1693 A 60 THR HA A 60 THR HG2% 1.0 . 3.37 1936 1694 A 25 LYS HA A 60 THR HG2% 1.0 . 4.96 1937 1695 A 60 THR HG2% A 25 LYS HEy 1.0 . 4.75 1938 1696 A 25 LYS HBy A 60 THR HG2% 1.0 . 4.11 1939 1697 A 59 VAL HGx% A 60 THR HG2% 1.0 . 3.95 1940 1698 A 61 GLY HAx A 60 THR HG2% 1.0 . 4.95 1941 1699 A 17 THR HG2% A 17 THR H 1.0 . 3.31 1942 1700 A 17 THR HG2% A 19 PHE HZ 1.0 . 5.18 1943 1701 A 17 THR HG2% A 18 TYR H 1.0 . 3.99 1944 1702 A 17 THR HG2% A 87 LEU HA 1.0 . 4.34 1945 1703 A 16 GLN H A 17 THR HG2% 1.0 . 4.43 1946 1704 A 17 THR HG2% A 86 GLU HA 1.0 . 3.31 1947 1705 A 17 THR HG2% A 17 THR HA 1.0 . 3.38 1948 1706 A 73 PHE HA A 74 LYS HBy 1.0 . 5.01 1949 1707 A 69 PHE HD% A 60 THR HG2% 1.0 . 5.50 1950 1707 A 69 PHE HE% A 60 THR HG2% 1.0 . 5.50 1951 1708 A 60 THR H A 59 VAL HGx% 1.0 . 3.60 1952 1709 A 69 PHE HE% A 59 VAL HGx% 1.0 . 3.55 1953 1709 A 69 PHE HD% A 59 VAL HGx% 1.0 . 3.55 1954 1710 A 59 VAL HA A 59 VAL HGx% 1.0 . 3.16 1955 1711 A 17 THR HG2% A 87 LEU H 1.0 . 3.92 1956 1712 A 74 LYS H A 73 PHE HA 1.0 . 3.06 1957 1713 A 73 PHE HA A 76 LEU HDy% 1.0 . 5.30 1958 1714 A 57 MET H A 28 TRP HA 1.0 . 5.50 1959 1715 A 56 LYS HA A 28 TRP HA 1.0 . 5.49 1960 1716 A 97 ILE HD1% A 96 PHE HA 1.0 . 5.47 1961 1717 A 97 ILE H A 96 PHE HA 1.0 . 3.13 1962 1718 A 73 PHE HZ A 96 PHE HA 1.0 . 3.48 1963 1719 A 97 ILE HG1y A 96 PHE HA 1.0 . 4.51 1964 1720 A 97 ILE HG1x A 96 PHE HA 1.0 . 4.28 1965 1721 A 96 PHE HA A 84 PHE HBx 1.0 . 5.50 1966 1721 A 84 PHE HBy A 96 PHE HA 1.0 . 5.50 1967 1722 A 97 ILE HD1% A 73 PHE HA 1.0 . 5.50 1968 1723 A 86 GLU HGy A 84 PHE HA 1.0 . 5.50 1969 1724 A 85 ILE H A 84 PHE HA 1.0 . 3.15 1970 1725 A 68 LYS H A 67 GLU HA 1.0 . 2.73 1971 1726 A 44 SER HA A 43 ASP HA 1.0 . 5.28 1972 1727 A 45 ILE HA A 44 SER HA 1.0 . 5.33 1973 1728 A 75 GLY H A 55 TYR HA 1.0 . 5.50 1974 1729 A 76 LEU H A 55 TYR HA 1.0 . 3.94 1975 1730 A 76 LEU HBx A 55 TYR HA 1.0 . 3.83 1976 1731 A 84 PHE HDx A 84 PHE HA 1.0 . 4.96 1977 1732 A 83 VAL HGx% A 84 PHE HA 1.0 . 5.18 1978 1733 A 14 ILE HD1% A 84 PHE HA 1.0 . 5.50 1979 1734 A 102 ILE H A 101 GLU HA 1.0 . 2.91 1980 1735 A 67 GLU HA A 67 GLU HGx 1.0 . 3.08 1981 1735 A 67 GLU HGy A 67 GLU HA 1.0 . 3.08 1982 1736 A 101 GLU HA A 101 GLU HBx 1.0 . 2.86 1983 1736 A 101 GLU HBy A 101 GLU HA 1.0 . 2.86 1984 1737 A 22 LYS H A 21 VAL HGy% 1.0 . 4.07 1985 1738 A 39 LEU H A 21 VAL HGy% 1.0 . 3.90 1986 1739 A 21 VAL H A 21 VAL HGy% 1.0 . 3.36 1987 1740 A 15 ASN HD2y A 21 VAL HGy% 1.0 . 4.04 1988 1741 A 69 PHE HE% A 21 VAL HGy% 1.0 . 3.79 1989 1741 A 69 PHE HD% A 21 VAL HGy% 1.0 . 3.79 1990 1742 A 15 ASN HD2x A 21 VAL HGy% 1.0 . 4.05 1991 1743 A 22 LYS HA A 21 VAL HGy% 1.0 . 4.46 1992 1744 A 21 VAL HA A 21 VAL HGy% 1.0 . 3.58 1993 1745 A 39 LEU HA A 21 VAL HGy% 1.0 . 5.50 1994 1746 A 39 LEU HBy A 21 VAL HGy% 1.0 . 3.35 1995 1747 A 39 LEU HG A 21 VAL HGy% 1.0 . 5.12 1996 1748 A 34 GLN HE2y A 36 VAL HGy% 1.0 . 4.82 1997 1749 A 36 VAL H A 36 VAL HGy% 1.0 . 3.51 1998 1750 A 24 ILE H A 36 VAL HGy% 1.0 . 4.85 1999 1751 A 47 PHE HE% A 36 VAL HGy% 1.0 . 3.91 2000 1752 A 36 VAL HA A 36 VAL HGy% 1.0 . 3.39 2001 1753 A 84 PHE H A 83 VAL HGy% 1.0 . 4.41 2002 1754 A 82 ARG H A 83 VAL HGy% 1.0 . 5.15 2003 1755 A 12 ARG H A 83 VAL HGy% 1.0 . 4.79 2004 1756 A 13 LEU HA A 83 VAL HGy% 1.0 . 4.14 2005 1757 A 81 THR HG2% A 83 VAL HGy% 1.0 . 4.25 2006 1758 A 11 ILE HD1% A 83 VAL HGy% 1.0 . 5.50 2007 1759 A 81 THR HB A 83 VAL HGy% 1.0 . 5.40 2008 1760 A 44 SER HA A 45 ILE H 1.0 . 3.08 2009 1761 A 44 SER HA A 14 ILE HA 1.0 . 3.44 2010 1762 A 44 SER HA A 39 LEU HG 1.0 . 5.50 2011 1763 A 44 SER HA A 39 LEU HDx% 1.0 . 3.89 2012 1764 A 58 ASP H A 28 TRP HA 1.0 . 4.36 2013 1765 A 28 TRP HA A 28 TRP HD1 1.0 . 5.50 2014 1766 A 29 ASN H A 28 TRP HA 1.0 . 3.52 2015 1767 A 57 MET HBy A 28 TRP HA 1.0 . 4.98 2016 1768 A 28 TRP HA A 57 MET HE% 1.0 . 4.51 2017 1769 A 76 LEU HBy A 55 TYR HA 1.0 . 3.71 2018 1770 A 14 ILE H A 83 VAL HGy% 1.0 . 4.73 2019 1771 A 83 VAL H A 83 VAL HGy% 1.0 . 3.53 2020 1772 A 73 PHE HE% A 83 VAL HGy% 1.0 . 5.13 2021 1773 A 82 ARG HA A 83 VAL HGy% 1.0 . 4.50 2022 1774 A 83 VAL HA A 83 VAL HGy% 1.0 . 3.40 2023 1775 A 59 VAL HGy% A 83 VAL HGy% 1.0 . 4.99 2024 1776 A 11 ILE HG2% A 83 VAL HGy% 1.0 . 3.33 2025 1777 A 57 MET HBx A 28 TRP HA 1.0 . 5.50 2026 1778 A 10 THR HG2% A 47 PHE HA 1.0 . 4.56 2027 1779 A 102 ILE HG2% A 103 ASP HA 1.0 . 5.50 2028 1780 A 59 VAL H A 57 MET HA 1.0 . 5.50 2029 1781 A 63 THR H A 68 LYS HA 1.0 . 3.99 2030 1782 A 68 LYS HA A 69 PHE HBx 1.0 . 4.55 2031 1783 A 48 SER H A 47 PHE HA 1.0 . 3.12 2032 1784 A 77 VAL HGy% A 99 GLN HGx 1.0 . 5.20 2033 1784 A 99 GLN HGy A 77 VAL HGy% 1.0 . 5.20 2034 1785 A 77 VAL H A 77 VAL HGy% 1.0 . 3.29 2035 1786 A 78 GLY H A 77 VAL HGy% 1.0 . 4.13 2036 1787 A 77 VAL HA A 77 VAL HGy% 1.0 . 3.34 2037 1788 A 29 ASN H A 57 MET HA 1.0 . 4.59 2038 1789 A 58 ASP H A 57 MET HA 1.0 . 3.36 2039 1790 A 28 TRP HBx A 57 MET HA 1.0 . 4.37 2040 1791 A 28 TRP HE3 A 57 MET HA 1.0 . 5.50 2041 1792 A 56 LYS HA A 57 MET HA 1.0 . 5.47 2042 1793 A 54 VAL HGy% A 57 MET HA 1.0 . 5.50 2043 1794 A 70 THR HG2% A 68 LYS HA 1.0 . 5.50 2044 1795 A 73 PHE HBy A 56 LYS HA 1.0 . 4.12 2045 1796 A 56 LYS HA A 74 LYS HA 1.0 . 3.47 2046 1797 A 33 GLU H A 32 LYS HA 1.0 . 2.94 2047 1798 A 32 LYS HA A 33 GLU HGx 1.0 . 5.02 2048 1798 A 33 GLU HGy A 32 LYS HA 1.0 . 5.02 2049 1799 A 32 LYS HA A 32 LYS HGx 1.0 . 3.65 2050 1799 A 32 LYS HGy A 32 LYS HA 1.0 . 3.65 2051 1800 A 57 MET HA A 28 TRP HBy 1.0 . 4.53 2052 1801 A 93 VAL HGx% A 69 PHE HA 1.0 . 5.50 2053 1802 A 25 LYS HA A 25 LYS HGx 1.0 . 3.55 2054 1802 A 25 LYS HGy A 25 LYS HA 1.0 . 3.55 2055 1803 A 26 VAL H A 25 LYS HA 1.0 . 2.99 2056 1804 A 74 LYS HA A 75 GLY H 1.0 . 3.52 2057 1805 A 56 LYS HBy A 74 LYS HA 1.0 . 4.03 2058 1806 A 35 THR HG2% A 25 LYS HA 1.0 . 5.16 2059 1807 A 56 LYS HA A 76 LEU HDy% 1.0 . 4.39 2060 1808 A 100 GLY HAx A 99 GLN HA 1.0 . 4.94 2061 1809 A 99 GLN HE2y A 99 GLN HA 1.0 . 3.79 2062 1810 A 93 VAL HGy% A 69 PHE HA 1.0 . 5.39 2063 1811 A 70 THR H A 69 PHE HA 1.0 . 2.93 2064 1812 A 69 PHE HE% A 69 PHE HA 1.0 . 4.02 2065 1812 A 69 PHE HD% A 69 PHE HA 1.0 . 4.02 2066 1813 A 93 VAL HB A 69 PHE HA 1.0 . 4.58 2067 1814 A 35 THR HB A 25 LYS HA 1.0 . 4.47 2068 1815 A 25 LYS HA A 25 LYS HEx 1.0 . 5.30 2069 1816 A 25 LYS HA A 36 VAL HGy% 1.0 . 5.50 2070 1817 A 100 GLY H A 99 GLN HA 1.0 . 3.07 2071 1818 A 33 GLU HA A 32 LYS HBy 1.0 . 5.45 2072 1819 A 33 GLU HA A 32 LYS HA 1.0 . 5.40 2073 1820 A 70 THR HG2% A 69 PHE HA 1.0 . 5.33 2074 1821 A 69 PHE HA A 95 VAL HGx% 1.0 . 5.23 2075 1822 A 34 GLN HA A 28 TRP HZ3 1.0 . 5.50 2076 1823 A 28 TRP HZ3 A 33 GLU HA 1.0 . 4.54 2077 1824 A 27 THR HA A 33 GLU HA 1.0 . 3.42 2078 1825 A 33 GLU HA A 33 GLU HGx 1.0 . 3.89 2079 1825 A 33 GLU HGy A 33 GLU HA 1.0 . 3.89 2080 1826 A 26 VAL HGx% A 33 GLU HA 1.0 . 5.50 2081 1827 A 33 GLU HA A 34 GLN HBy 1.0 . 4.75 2082 1827 A 33 GLU HA A 34 GLN HBx 1.0 . 4.75 2083 1828 A 42 HIS H A 16 GLN HA 1.0 . 5.10 2084 1829 A 34 GLN HA A 35 THR H 1.0 . 2.88 2085 1830 A 34 GLN HA A 34 GLN HGy 1.0 . 3.73 2086 1831 A 34 GLN HA A 35 THR HG2% 1.0 . 4.40 2087 1832 A 34 GLN HA A 35 THR HA 1.0 . 4.56 2088 1833 A 34 GLN HA A 33 GLU HBy 1.0 . 4.64 2089 1834 A 77 VAL H A 76 LEU HA 1.0 . 3.01 2090 1835 A 99 GLN HE2y A 76 LEU HA 1.0 . 5.15 2091 1836 A 34 GLN H A 33 GLU HA 1.0 . 2.88 2092 1837 A 83 VAL H A 82 ARG HA 1.0 . 3.19 2093 1838 A 82 ARG HA A 82 ARG HGx 1.0 . 3.90 2094 1839 A 72 HIS HA A 58 ASP HBx 1.0 . 5.19 2095 1839 A 72 HIS HA A 58 ASP HBy 1.0 . 5.19 2096 1840 A 72 HIS HA A 70 THR HB 1.0 . 5.50 2097 1841 A 20 ASN H A 19 PHE HA 1.0 . 2.96 2098 1842 A 82 ARG HA A 13 LEU HDy% 1.0 . 5.43 2099 1843 A 25 LYS H A 24 ILE HG2% 1.0 . 3.41 2100 1844 A 24 ILE HG2% A 60 THR H 1.0 . 4.32 2101 1845 A 24 ILE H A 24 ILE HG2% 1.0 . 4.19 2102 1846 A 69 PHE HE% A 24 ILE HG2% 1.0 . 4.14 2103 1846 A 24 ILE HG2% A 69 PHE HD% 1.0 . 4.14 2104 1847 A 61 GLY HAy A 24 ILE HG2% 1.0 . 4.45 2105 1848 A 24 ILE HG2% A 24 ILE HG1y 1.0 . 3.84 2106 1849 A 24 ILE HA A 24 ILE HG2% 1.0 . 3.37 2107 1850 A 72 HIS HA A 58 ASP HA 1.0 . 3.62 2108 1851 A 72 HIS HA A 59 VAL HGy% 1.0 . 5.44 2109 1852 A 19 PHE HD% A 19 PHE HA 1.0 . 3.87 2110 1853 A 82 ARG HA A 11 ILE HA 1.0 . 5.25 2111 1854 A 40 GLY HAx A 39 LEU HA 1.0 . 4.41 2112 1855 A 2 ALA HB% A 4 ASP HA 1.0 . 5.13 2113 1856 A 16 GLN H A 14 ILE HG2% 1.0 . 4.58 2114 1857 A 14 ILE H A 14 ILE HG2% 1.0 . 4.17 2115 1858 A 14 ILE HG2% A 16 GLN HE2x 1.0 . 5.05 2116 1859 A 14 ILE HG2% A 84 PHE HA 1.0 . 4.25 2117 1860 A 20 ASN HBx A 19 PHE HA 1.0 . 4.94 2118 1861 A 64 GLN HBy A 19 PHE HA 1.0 . 5.11 2119 1862 A 38 THR H A 39 LEU HA 1.0 . 5.00 2120 1863 A 40 GLY H A 39 LEU HA 1.0 . 2.99 2121 1864 A 4 ASP HA A 4 ASP HBx 1.0 . 2.96 2122 1864 A 4 ASP HBy A 4 ASP HA 1.0 . 2.96 2123 1865 A 15 ASN H A 14 ILE HG2% 1.0 . 3.63 2124 1866 A 14 ILE HG2% A 16 GLN HE2y 1.0 . 3.98 2125 1867 A 44 SER HA A 14 ILE HG2% 1.0 . 4.58 2126 1868 A 14 ILE HG2% A 16 GLN HA 1.0 . 4.40 2127 1869 A 14 ILE HG2% A 14 ILE HA 1.0 . 3.39 2128 1870 A 44 SER HBx A 14 ILE HG2% 1.0 . 3.67 2129 1871 A 16 GLN HGy A 14 ILE HG2% 1.0 . 3.88 2130 1872 A 14 ILE HG2% A 16 GLN HGx 1.0 . 3.70 2131 1873 A 14 ILE HG2% A 16 GLN HBx 1.0 . 4.72 2132 1874 A 14 ILE HG1y A 14 ILE HG2% 1.0 . 3.92 2133 1875 A 14 ILE HD1% A 14 ILE HG2% 1.0 . 3.37 2134 1876 A 9 THR HG2% A 80 ASP HA 1.0 . 5.50 2135 1877 A 22 LYS HA A 23 ASN H 1.0 . 3.01 2136 1878 A 22 LYS HA A 38 THR HA 1.0 . 3.18 2137 1879 A 9 THR HB A 80 ASP HA 1.0 . 4.81 2138 1880 A 87 LEU H A 86 GLU HA 1.0 . 3.05 2139 1881 A 22 LYS HA A 22 LYS HDx 1.0 . 4.30 2140 1881 A 22 LYS HA A 22 LYS HDy 1.0 . 4.30 2141 1882 A 93 VAL HGy% A 87 LEU HA 1.0 . 5.50 2142 1883 A 10 THR H A 80 ASP HA 1.0 . 4.51 2143 1884 A 87 LEU HBx A 86 GLU HA 1.0 . 5.37 2144 1885 A 91 ALA HA A 87 LEU HBx 1.0 . 3.42 2145 1886 A 28 TRP HA A 29 ASN HA 1.0 . 5.16 2146 1887 A 56 LYS HGx A 29 ASN HA 1.0 . 4.24 2147 1888 A 81 THR H A 80 ASP HA 1.0 . 3.07 2148 1889 A 29 ASN HD2y A 29 ASN HA 1.0 . 5.50 2149 1890 A 29 ASN HA A 56 LYS HDy 1.0 . 5.18 2150 1891 A 55 TYR HE% A 29 ASN HA 1.0 . 4.77 2151 1892 A 11 ILE HG2% A 12 ARG H 1.0 . 3.97 2152 1893 A 11 ILE HG2% A 12 ARG HA 1.0 . 5.22 2153 1894 A 11 ILE HG2% A 82 ARG HA 1.0 . 5.36 2154 1895 A 11 ILE HG2% A 11 ILE HA 1.0 . 3.80 2155 1896 A 11 ILE HG2% A 83 VAL HB 1.0 . 5.10 2156 1897 A 11 ILE HG2% A 81 THR HG2% 1.0 . 4.67 2157 1898 A 11 ILE HG2% A 11 ILE HD1% 1.0 . 3.95 2158 1899 A 11 ILE HG2% A 13 LEU H 1.0 . 5.30 2159 1900 A 11 ILE HG2% A 11 ILE H 1.0 . 4.40 2160 1901 A 11 ILE HA A 12 ARG HA 1.0 . 4.92 2161 1902 A 88 ASP H A 87 LEU HA 1.0 . 3.02 2162 1903 A 22 LYS HA A 23 ASN HA 1.0 . 4.39 2163 1904 A 24 ILE HB A 23 ASN HA 1.0 . 5.33 2164 1905 A 23 ASN HA A 24 ILE HG1y 1.0 . 5.50 2165 1906 A 85 ILE HG2% A 15 ASN HD2y 1.0 . 5.50 2166 1907 A 85 ILE HG2% A 95 VAL HA 1.0 . 4.09 2167 1908 A 85 ILE HG2% A 93 VAL HA 1.0 . 5.50 2168 1909 A 85 ILE HG2% A 16 GLN H 1.0 . 4.97 2169 1910 A 85 ILE HG2% A 86 GLU H 1.0 . 3.72 2170 1911 A 69 PHE HE% A 85 ILE HG2% 1.0 . 3.87 2171 1911 A 85 ILE HG2% A 69 PHE HD% 1.0 . 3.87 2172 1912 A 85 ILE HG2% A 15 ASN HA 1.0 . 3.94 2173 1913 A 85 ILE HA A 85 ILE HG2% 1.0 . 3.36 2174 1914 A 85 ILE HG2% A 85 ILE HG1y 1.0 . 3.79 2175 1915 A 85 ILE HG2% A 17 THR HG2% 1.0 . 3.24 2176 1916 A 13 LEU H A 12 ARG HA 1.0 . 3.03 2177 1917 A 12 ARG HDx A 12 ARG HA 1.0 . 5.50 2178 1918 A 46 ASP H A 12 ARG HA 1.0 . 4.86 2179 1919 A 36 VAL H A 23 ASN HA 1.0 . 4.72 2180 1920 A 35 THR HG2% A 23 ASN HA 1.0 . 4.93 2181 1921 A 45 ILE HG2% A 45 ILE H 1.0 . 3.48 2182 1922 A 46 ASP H A 45 ILE HG2% 1.0 . 4.22 2183 1923 A 45 ILE HG2% A 44 SER HA 1.0 . 4.67 2184 1924 A 45 ILE HG2% A 12 ARG HA 1.0 . 4.80 2185 1925 A 45 ILE HA A 45 ILE HG2% 1.0 . 3.85 2186 1926 A 45 ILE HG2% A 13 LEU HBx 1.0 . 3.62 2187 1927 A 102 ILE HG2% A 102 ILE H 1.0 . 4.33 2188 1928 A 102 ILE HG2% A 102 ILE HA 1.0 . 3.67 2189 1929 A 102 ILE HG2% A 102 ILE HD1% 1.0 . 2.40 2190 1930 A 73 PHE H A 58 ASP HA 1.0 . 4.03 2191 1931 A 58 ASP HA A 59 VAL HGx% 1.0 . 5.50 2192 1932 A 58 ASP HA A 59 VAL H 1.0 . 3.11 2193 1933 A 58 ASP HA A 59 VAL HB 1.0 . 5.50 2194 1934 A 73 PHE HD% A 58 ASP HA 1.0 . 4.73 2195 1935 A 58 ASP HA A 27 THR HB 1.0 . 5.50 2196 1936 A 46 ASP HBx A 12 ARG HA 1.0 . 4.61 2197 1937 A 93 VAL H A 92 ASP HA 1.0 . 2.86 2198 1938 A 58 ASP H A 57 MET HE% 1.0 . 5.50 2199 1939 A 57 MET HE% A 81 THR HA 1.0 . 5.05 2200 1940 A 57 MET HGx A 58 ASP HA 1.0 . 5.50 2201 1941 A 45 ILE HG2% A 13 LEU HA 1.0 . 5.18 2202 1942 A 14 ILE H A 13 LEU HA 1.0 . 3.01 2203 1943 A 57 MET HE% A 57 MET HA 1.0 . 4.09 2204 1944 A 57 MET HE% A 28 TRP HBy 1.0 . 3.63 2205 1945 A 28 TRP HBx A 57 MET HE% 1.0 . 3.64 2206 1946 A 57 MET HE% A 57 MET HGy 1.0 . 3.74 2207 1947 A 57 MET HGx A 57 MET HE% 1.0 . 3.82 2208 1948 A 57 MET HBy A 57 MET HE% 1.0 . 3.45 2209 1949 A 57 MET HE% A 26 VAL HGy% 1.0 . 3.34 2210 1950 A 57 MET HE% A 83 VAL HGy% 1.0 . 3.33 2211 1951 A 11 ILE HG2% A 57 MET HE% 1.0 . 3.08 2212 1952 A 11 ILE HD1% A 57 MET HE% 1.0 . 3.44 2213 1953 A 93 VAL HGy% A 92 ASP HA 1.0 . 5.50 2214 1954 A 13 LEU HA A 12 ARG HDx 1.0 . 4.99 2215 1955 A 43 ASP HA A 42 HIS HBx 1.0 . 5.27 2216 1955 A 43 ASP HA A 42 HIS HBy 1.0 . 5.27 2217 1956 A 43 ASP HA A 44 SER H 1.0 . 2.85 2218 1957 A 91 ALA HB% A 90 ASN HA 1.0 . 4.96 2219 1958 A 91 ALA HB% A 91 ALA H 1.0 . 3.31 2220 1959 A 91 ALA HB% A 87 LEU HDy% 1.0 . 3.72 2221 1960 A 82 ARG H A 97 ILE HG2% 1.0 . 4.38 2222 1961 A 97 ILE HG2% A 99 GLN HE2y 1.0 . 4.39 2223 1962 A 97 ILE HG2% A 73 PHE HE% 1.0 . 4.85 2224 1963 A 97 ILE HG2% A 96 PHE HD% 1.0 . 5.00 2225 1964 A 97 ILE HA A 97 ILE HG2% 1.0 . 3.46 2226 1965 A 83 VAL HA A 97 ILE HG2% 1.0 . 3.65 2227 1966 A 97 ILE HG2% A 57 MET HE% 1.0 . 5.50 2228 1967 A 97 ILE HD1% A 97 ILE HG2% 1.0 . 3.34 2229 1968 A 97 ILE HG2% A 99 GLN HGx 1.0 . 4.70 2230 1968 A 97 ILE HG2% A 99 GLN HGy 1.0 . 4.70 2231 1969 A 97 ILE HG2% A 98 PRO HGy 1.0 . 5.01 2232 1970 A 91 ALA HB% A 90 ASN HBy 1.0 . 5.50 2233 1971 A 84 PHE H A 97 ILE HG2% 1.0 . 5.50 2234 1972 A 83 VAL H A 97 ILE HG2% 1.0 . 5.50 2235 1973 A 13 LEU H A 46 ASP HA 1.0 . 3.74 2236 1974 A 46 ASP HA A 47 PHE H 1.0 . 3.08 2237 1975 A 46 ASP HA A 12 ARG HA 1.0 . 3.36 2238 1976 A 46 ASP HA A 11 ILE HB 1.0 . 5.44 2239 1977 A 11 ILE HG2% A 46 ASP HA 1.0 . 5.50 2240 1978 A 45 ILE HA A 46 ASP HA 1.0 . 5.50 2241 1979 A 14 ILE HB A 15 ASN HA 1.0 . 4.91 2242 1980 A 52 GLY H A 51 ALA HA 1.0 . 3.48 2243 1981 A 16 GLN H A 15 ASN HA 1.0 . 3.26 2244 1982 A 85 ILE HG1y A 15 ASN HA 1.0 . 5.24 2245 1983 A 14 ILE HG2% A 15 ASN HA 1.0 . 4.33 2246 1984 A 28 TRP HE1 A 51 ALA HA 1.0 . 5.08 2247 1985 A 85 ILE H A 15 ASN HA 1.0 . 4.07 2248 1986 A 23 ASN H A 24 ILE HD1% 1.0 . 4.07 2249 1987 A 24 ILE H A 24 ILE HD1% 1.0 . 3.84 2250 1988 A 62 THR H A 24 ILE HD1% 1.0 . 5.50 2251 1989 A 69 PHE HE% A 24 ILE HD1% 1.0 . 3.80 2252 1989 A 69 PHE HD% A 24 ILE HD1% 1.0 . 3.80 2253 1990 A 24 ILE HA A 24 ILE HD1% 1.0 . 4.09 2254 1991 A 24 ILE HD1% A 21 VAL HB 1.0 . 4.02 2255 1992 A 24 ILE HB A 24 ILE HD1% 1.0 . 3.16 2256 1993 A 46 ASP HA A 45 ILE HD1% 1.0 . 5.50 2257 1994 A 98 PRO HDy A 84 PHE HE% 1.0 . 4.55 2258 1995 A 84 PHE HDx A 98 PRO HDy 1.0 . 5.14 2259 1996 A 97 ILE HG2% A 98 PRO HDy 1.0 . 4.15 2260 1997 A 97 ILE HA A 98 PRO HDx 1.0 . 3.46 2261 1998 A 98 PRO HDx A 97 ILE HB 1.0 . 5.01 2262 1999 A 98 PRO HDx A 97 ILE HG2% 1.0 . 4.40 2263 2000 A 98 PRO HDx A 84 PHE HE% 1.0 . 4.30 2264 2001 A 97 ILE HD1% A 57 MET HGx 1.0 . 5.50 2265 2002 A 97 ILE HB A 98 PRO HDy 1.0 . 5.15 2266 2003 A 45 ILE H A 45 ILE HD1% 1.0 . 5.50 2267 2004 A 46 ASP H A 45 ILE HD1% 1.0 . 3.90 2268 2005 A 47 PHE HD% A 45 ILE HD1% 1.0 . 4.52 2269 2006 A 47 PHE HE% A 45 ILE HD1% 1.0 . 4.76 2270 2007 A 45 ILE HA A 45 ILE HD1% 1.0 . 3.75 2271 2008 A 36 VAL HA A 45 ILE HD1% 1.0 . 5.39 2272 2009 A 45 ILE HB A 45 ILE HD1% 1.0 . 3.33 2273 2010 A 36 VAL HGx% A 45 ILE HD1% 1.0 . 3.15 2274 2011 A 14 ILE HD1% A 82 ARG HA 1.0 . 5.46 2275 2012 A 14 ILE HD1% A 14 ILE H 1.0 . 3.96 2276 2013 A 83 VAL H A 14 ILE HD1% 1.0 . 4.37 2277 2014 A 14 ILE HD1% A 84 PHE HE% 1.0 . 3.87 2278 2015 A 14 ILE HD1% A 13 LEU HA 1.0 . 4.21 2279 2016 A 14 ILE HD1% A 44 SER HBy 1.0 . 4.56 2280 2017 A 14 ILE HD1% A 82 ARG HBy 1.0 . 4.41 2281 2018 A 14 ILE HD1% A 14 ILE HB 1.0 . 3.18 2282 2019 A 97 ILE H A 97 ILE HD1% 1.0 . 5.44 2283 2020 A 97 ILE HD1% A 57 MET H 1.0 . 5.50 2284 2021 A 97 ILE HD1% A 73 PHE HBx 1.0 . 4.84 2285 2022 A 97 ILE HD1% A 97 ILE HB 1.0 . 3.85 2286 2023 A 97 ILE HD1% A 76 LEU HDy% 1.0 . 3.69 2287 2024 A 16 GLN H A 85 ILE HD1% 1.0 . 4.97 2288 2025 A 85 ILE H A 85 ILE HD1% 1.0 . 4.29 2289 2026 A 15 ASN H A 85 ILE HD1% 1.0 . 5.35 2290 2027 A 69 PHE HD% A 85 ILE HD1% 1.0 . 3.52 2291 2027 A 69 PHE HE% A 85 ILE HD1% 1.0 . 3.52 2292 2028 A 15 ASN HA A 85 ILE HD1% 1.0 . 3.96 2293 2029 A 85 ILE HA A 85 ILE HD1% 1.0 . 4.14 2294 2030 A 85 ILE HB A 85 ILE HD1% 1.0 . 3.54 2295 2031 A 21 VAL HGx% A 85 ILE HD1% 1.0 . 3.42 2296 2032 A 85 ILE HG2% A 85 ILE HD1% 1.0 . 3.22 2297 2033 A 102 ILE HB A 102 ILE HD1% 1.0 . 3.87 2298 2034 A 11 ILE H A 11 ILE HD1% 1.0 . 5.50 2299 2035 A 48 SER HA A 11 ILE HD1% 1.0 . 5.34 2300 2036 A 11 ILE HD1% A 11 ILE HA 1.0 . 5.50 2301 2037 A 72 HIS HBy A 72 HIS HE1 1.0 . 4.80 2302 2038 A 72 HIS HE1 A 58 ASP HBx 1.0 . 4.31 2303 2038 A 58 ASP HBy A 72 HIS HE1 1.0 . 4.31 2304 2039 A 70 THR HG2% A 72 HIS HE1 1.0 . 3.78 2305 2040 A 70 THR HB A 72 HIS HE1 1.0 . 5.28 2306 2041 A 16 GLN HA A 42 HIS HE1 1.0 . 4.45 2307 2042 A 42 HIS HE1 A 42 HIS HBx 1.0 . 5.29 2308 2042 A 42 HIS HBy A 42 HIS HE1 1.0 . 5.29 2309 2043 A 56 LYS H A 55 TYR HD% 1.0 . 3.50 2310 2044 A 55 TYR HD% A 55 TYR HA 1.0 . 3.75 2311 2045 A 56 LYS HBy A 55 TYR HD% 1.0 . 3.68 2312 2046 A 56 LYS HGx A 55 TYR HD% 1.0 . 3.66 2313 2047 A 55 TYR H A 55 TYR HD% 1.0 . 3.35 2314 2048 A 76 LEU H A 55 TYR HD% 1.0 . 4.64 2315 2049 A 19 PHE H A 18 TYR HD% 1.0 . 3.97 2316 2050 A 17 THR HB A 18 TYR HD% 1.0 . 4.21 2317 2051 A 19 PHE HA A 18 TYR HD% 1.0 . 4.26 2318 2052 A 87 LEU HDy% A 18 TYR HD% 1.0 . 3.31 2319 2053 A 69 PHE HD% A 61 GLY H 1.0 . 4.32 2320 2054 A 62 THR HA A 69 PHE HD% 1.0 . 3.84 2321 2055 A 69 PHE HD% A 68 LYS HA 1.0 . 4.00 2322 2056 A 63 THR HG2% A 69 PHE HD% 1.0 . 3.15 2323 2057 A 69 PHE HD% A 95 VAL HGx% 1.0 . 2.76 2324 2058 A 69 PHE H A 69 PHE HD% 1.0 . 3.51 2325 2059 A 69 PHE HD% A 93 VAL HB 1.0 . 4.18 2326 2060 A 69 PHE HD% A 93 VAL HGy% 1.0 . 3.23 2327 2061 A 69 PHE HD% A 63 THR HA 1.0 . 5.38 2328 2062 A 73 PHE HD% A 57 MET H 1.0 . 4.72 2329 2063 A 73 PHE HD% A 72 HIS HA 1.0 . 4.48 2330 2064 A 73 PHE HD% A 97 ILE HD1% 1.0 . 3.34 2331 2065 A 73 PHE HD% A 73 PHE H 1.0 . 3.49 2332 2066 A 73 PHE HD% A 74 LYS H 1.0 . 3.81 2333 2067 A 73 PHE HD% A 73 PHE HA 1.0 . 3.27 2334 2068 A 57 MET HBx A 73 PHE HD% 1.0 . 3.93 2335 2069 A 73 PHE HD% A 57 MET HGx 1.0 . 4.49 2336 2070 A 73 PHE HD% A 59 VAL HGy% 1.0 . 4.30 2337 2071 A 11 ILE HG2% A 47 PHE HD% 1.0 . 4.20 2338 2072 A 47 PHE HD% A 47 PHE H 1.0 . 3.38 2339 2073 A 47 PHE HD% A 46 ASP HA 1.0 . 4.54 2340 2074 A 47 PHE HD% A 47 PHE HA 1.0 . 3.63 2341 2075 A 34 GLN HGy A 47 PHE HD% 1.0 . 4.59 2342 2076 A 47 PHE HD% A 34 GLN HGx 1.0 . 3.91 2343 2077 A 47 PHE HD% A 45 ILE HG1x 1.0 . 3.87 2344 2078 A 47 PHE HD% A 45 ILE HG2% 1.0 . 3.21 2345 2079 A 47 PHE HD% A 36 VAL HGy% 1.0 . 3.53 2346 2080 A 47 PHE HD% A 11 ILE HB 1.0 . 4.47 2347 2081 A 47 PHE HD% A 11 ILE HD1% 1.0 . 3.90 2348 2082 A 19 PHE HD% A 64 GLN HBx 1.0 . 5.50 2349 2083 A 19 PHE HD% A 63 THR HB 1.0 . 4.00 2350 2084 A 96 PHE HD% A 84 PHE HBx 1.0 . 5.42 2351 2084 A 84 PHE HBy A 96 PHE HD% 1.0 . 5.42 2352 2085 A 98 PRO HA A 96 PHE HD% 1.0 . 5.03 2353 2086 A 19 PHE HD% A 20 ASN H 1.0 . 3.98 2354 2087 A 19 PHE HD% A 63 THR HA 1.0 . 4.19 2355 2088 A 19 PHE HD% A 17 THR HB 1.0 . 4.08 2356 2089 A 63 THR HG2% A 19 PHE HD% 1.0 . 4.06 2357 2090 A 93 VAL HGx% A 19 PHE HD% 1.0 . 3.33 2358 2091 A 19 PHE HD% A 93 VAL HGy% 1.0 . 4.88 2359 2092 A 19 PHE HD% A 19 PHE H 1.0 . 3.39 2360 2093 A 96 PHE H A 96 PHE HD% 1.0 . 4.61 2361 2094 A 97 ILE H A 96 PHE HD% 1.0 . 4.70 2362 2095 A 98 PRO HDx A 96 PHE HD% 1.0 . 4.25 2363 2096 A 97 ILE HG1x A 96 PHE HD% 1.0 . 5.50 2364 2097 A 95 VAL H A 96 PHE HD% 1.0 . 5.50 2365 2098 A 96 PHE HA A 96 PHE HD% 1.0 . 3.45 2366 2099 A 86 GLU HGy A 96 PHE HD% 1.0 . 4.45 2367 2100 A 98 PRO HDx A 84 PHE HDy 1.0 . 3.90 2368 2101 A 97 ILE HA A 84 PHE HDy 1.0 . 4.88 2369 2102 A 84 PHE H A 84 PHE HDx 1.0 . 4.10 2370 2103 A 98 PRO HDx A 84 PHE HDx 1.0 . 3.82 2371 2104 A 14 ILE HD1% A 84 PHE HDx 1.0 . 3.72 2372 2105 A 98 PRO HGx A 84 PHE HDy 1.0 . 4.89 2373 2106 A 84 PHE HDy A 98 PRO HBx 1.0 . 4.14 2374 2107 A 19 PHE HE% A 93 VAL HGy% 1.0 . 3.75 2375 2108 A 82 ARG HBx A 84 PHE HDx 1.0 . 4.38 2376 2109 A 97 ILE HA A 84 PHE HDx 1.0 . 5.18 2377 2110 A 16 GLN HGy A 84 PHE HDx 1.0 . 3.98 2378 2111 A 63 THR HB A 19 PHE HE% 1.0 . 3.99 2379 2112 A 19 PHE HE% A 17 THR HB 1.0 . 5.09 2380 2113 A 63 THR HG2% A 19 PHE HE% 1.0 . 3.58 2381 2114 A 93 VAL HGx% A 19 PHE HE% 1.0 . 3.05 2382 2115 A 19 PHE HE% A 19 PHE H 1.0 . 4.64 2383 2116 A 97 ILE HB A 73 PHE HE% 1.0 . 5.43 2384 2117 A 95 VAL HB A 73 PHE HE% 1.0 . 3.45 2385 2118 A 97 ILE HD1% A 73 PHE HE% 1.0 . 3.76 2386 2119 A 73 PHE HE% A 96 PHE HA 1.0 . 3.49 2387 2120 A 71 GLY HAx A 73 PHE HE% 1.0 . 3.62 2388 2121 A 95 VAL HGy% A 73 PHE HE% 1.0 . 3.13 2389 2122 A 83 VAL HA A 73 PHE HE% 1.0 . 5.50 2390 2123 A 47 PHE HE% A 47 PHE H 1.0 . 5.50 2391 2124 A 47 PHE HE% A 13 LEU HA 1.0 . 5.09 2392 2125 A 95 VAL H A 73 PHE HE% 1.0 . 5.10 2393 2126 A 97 ILE H A 73 PHE HE% 1.0 . 4.90 2394 2127 A 71 GLY HAy A 73 PHE HE% 1.0 . 4.45 2395 2128 A 47 PHE HE% A 26 VAL HB 1.0 . 4.62 2396 2129 A 47 PHE HE% A 34 GLN HGx 1.0 . 4.81 2397 2130 A 47 PHE HE% A 34 GLN HGy 1.0 . 4.08 2398 2131 A 47 PHE HE% A 45 ILE HG2% 1.0 . 3.24 2399 2132 A 47 PHE HE% A 13 LEU HDx% 1.0 . 3.23 2400 2133 A 47 PHE HE% A 11 ILE HG2% 1.0 . 3.61 2401 2134 A 47 PHE HE% A 11 ILE HD1% 1.0 . 3.44 2402 2135 A 72 HIS H A 73 PHE HE% 1.0 . 5.12 2403 2136 A 93 VAL HGy% A 19 PHE HZ 1.0 . 4.87 2404 2137 A 63 THR HB A 19 PHE HZ 1.0 . 5.35 2405 2138 A 93 VAL HGx% A 19 PHE HZ 1.0 . 2.99 2406 2139 A 19 PHE HD% A 19 PHE HZ 1.0 . 4.09 2407 2140 A 63 THR HG2% A 19 PHE HZ 1.0 . 3.94 2408 2141 A 84 PHE HE% A 98 PRO HBx 1.0 . 4.24 2409 2142 A 14 ILE HG1x A 84 PHE HE% 1.0 . 5.10 2410 2143 A 71 GLY HAy A 73 PHE HZ 1.0 . 5.50 2411 2144 A 69 PHE HE% A 69 PHE H 1.0 . 4.57 2412 2145 A 69 PHE HE% A 62 THR HA 1.0 . 4.64 2413 2146 A 69 PHE HE% A 21 VAL HB 1.0 . 3.62 2414 2147 A 69 PHE HE% A 63 THR HG2% 1.0 . 3.51 2415 2148 A 69 PHE HE% A 59 VAL HGx% 1.0 . 2.92 2416 2149 A 69 PHE HE% A 85 ILE HD1% 1.0 . 3.39 2417 2150 A 97 ILE HD1% A 73 PHE HZ 1.0 . 5.02 2418 2151 A 71 GLY HAx A 73 PHE HZ 1.0 . 4.54 2419 2152 A 83 VAL HGx% A 73 PHE HZ 1.0 . 5.15 2420 2153 A 69 PHE HE% A 63 THR HA 1.0 . 4.26 2421 2154 A 95 VAL HGy% A 73 PHE HZ 1.0 . 3.32 2422 2155 A 69 PHE HE% A 61 GLY HAy 1.0 . 5.16 2423 2156 A 21 VAL HA A 69 PHE HZ 1.0 . 5.47 2424 2157 A 21 VAL HB A 69 PHE HZ 1.0 . 4.01 2425 2158 A 61 GLY HAx A 69 PHE HZ 1.0 . 5.50 2426 2159 A 21 VAL HGx% A 69 PHE HZ 1.0 . 3.36 2427 2160 A 24 ILE HG2% A 69 PHE HZ 1.0 . 3.55 2428 2161 A 85 ILE HD1% A 69 PHE HZ 1.0 . 3.69 2429 2162 A 62 THR H A 69 PHE HZ 1.0 . 5.50 2430 2163 A 26 VAL HGy% A 47 PHE HZ 1.0 . 3.57 2431 2164 A 11 ILE HD1% A 47 PHE HZ 1.0 . 5.08 2432 2165 A 85 ILE HG2% A 69 PHE HZ 1.0 . 4.29 2433 2166 A 26 VAL HGx% A 47 PHE HZ 1.0 . 3.31 2434 2167 A 13 LEU HDx% A 47 PHE HZ 1.0 . 3.46 2435 2168 A 11 ILE HG2% A 47 PHE HZ 1.0 . 3.79 2436 2169 A 26 VAL HB A 47 PHE HZ 1.0 . 4.30 2437 2170 A 12 ARG H A 47 PHE HZ 1.0 . 5.43 2438 2171 A 28 TRP HBy A 28 TRP HD1 1.0 . 3.64 2439 2172 A 54 VAL HGy% A 28 TRP HD1 1.0 . 3.77 2440 2173 A 54 VAL HGx% A 28 TRP HD1 1.0 . 3.43 2441 2174 A 54 VAL HA A 28 TRP HD1 1.0 . 5.22 2442 2175 A 29 ASN HD2x A 28 TRP HD1 1.0 . 3.84 2443 2176 A 29 ASN HBx A 28 TRP HD1 1.0 . 3.87 2444 2177 A 51 ALA HB% A 28 TRP HD1 1.0 . 3.99 2445 2178 A 28 TRP HD1 A 32 LYS HGx 1.0 . 4.50 2446 2178 A 32 LYS HGy A 28 TRP HD1 1.0 . 4.50 2447 2179 A 49 SER HBy A 28 TRP HD1 1.0 . 4.89 2448 2180 A 34 GLN H A 28 TRP HH2 1.0 . 4.80 2449 2181 A 34 GLN HGy A 28 TRP HH2 1.0 . 3.41 2450 2182 A 28 TRP HH2 A 34 GLN HGx 1.0 . 3.77 2451 2183 A 28 TRP HH2 A 26 VAL HGy% 1.0 . 4.72 2452 2184 A 28 TRP HH2 A 49 SER HA 1.0 . 5.36 2453 2185 A 28 TRP H A 28 TRP HE3 1.0 . 4.27 2454 2186 A 34 GLN HGy A 28 TRP HE3 1.0 . 5.03 2455 2187 A 34 GLN H A 28 TRP HE3 1.0 . 4.68 2456 2188 A 33 GLU HA A 28 TRP HE3 1.0 . 4.43 2457 2189 A 28 TRP HE3 A 26 VAL HGy% 1.0 . 3.59 2458 2190 A 57 MET HE% A 28 TRP HE3 1.0 . 4.36 2459 2191 A 28 TRP HZ3 A 26 VAL HGy% 1.0 . 4.45 2460 2192 A 70 THR HG2% A 72 HIS HD2 1.0 . 4.27 2461 2193 A 70 THR HB A 72 HIS HD2 1.0 . 5.33 2462 2194 A 72 HIS HD2 A 72 HIS HBx 1.0 . 3.34 2463 2195 A 72 HIS H A 72 HIS HD2 1.0 . 4.48 2464 2196 A 42 HIS H A 42 HIS HD2 1.0 . 3.64 2465 2197 A 16 GLN HA A 42 HIS HD2 1.0 . 3.48 2466 2198 A 42 HIS HA A 42 HIS HD2 1.0 . 3.45 2467 2199 A 42 HIS HD2 A 42 HIS HBx 1.0 . 3.54 2468 2199 A 42 HIS HBy A 42 HIS HD2 1.0 . 3.54 2469 2200 A 16 GLN HBy A 42 HIS HD2 1.0 . 5.14 2470 2201 A 41 SER HA A 42 HIS HD2 1.0 . 4.94 2471 2202 A 19 PHE HBx A 18 TYR HE% 1.0 . 4.28 2472 2203 A 87 LEU HDy% A 18 TYR HE% 1.0 . 3.23 2473 2204 A 55 TYR H A 55 TYR HE% 1.0 . 4.39 2474 2205 A 55 TYR HE% A 56 LYS HGx 1.0 . 3.49 2475 2206 A 55 TYR HE% A 56 LYS HDy 1.0 . 3.19 2476 2207 A 28 TRP HZ2 A 32 LYS HGx 1.0 . 5.24 2477 2207 A 32 LYS HGy A 28 TRP HZ2 1.0 . 5.24 2478 2208 A 50 ASP H A 28 TRP HZ2 1.0 . 5.18 2479 2209 A 50 ASP HBx A 28 TRP HZ2 1.0 . 5.30 2480 2210 A 32 LYS HEy A 28 TRP HZ2 1.0 . 4.86 2481 2211 A 28 TRP HZ2 A 32 LYS HDx 1.0 . 5.08 2482 2212 A 28 TRP HZ2 A 32 LYS HBy 1.0 . 5.50 2483 2213 A 28 TRP HZ2 A 49 SER HA 1.0 . 3.48 2484 2214 A 11 ILE HD1% A 28 TRP HZ2 1.0 . 4.71 2485 2215 A 49 SER HBy A 28 TRP HZ2 1.0 . 4.56 2486 2216 A 50 ASP HBy A 28 TRP HZ2 1.0 . 4.76 stop_ save_