data_nef_c16006_2k9z 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 MET start . . 2 A 2 GLU middle . . 3 A 3 VAL middle . . 4 A 4 LYS middle . . 5 A 5 ILE middle . . 6 A 6 GLU middle . . 7 A 7 LYS middle . . 8 A 8 PRO middle . false 9 A 9 THR middle . . 10 A 10 PRO middle . false 11 A 11 GLU middle . . 12 A 12 LYS middle . . 13 A 13 LEU middle . . 14 A 14 LYS middle . . 15 A 15 GLU middle . . 16 A 16 LEU middle . . 17 A 17 SER middle . . 18 A 18 VAL middle . . 19 A 19 GLU middle . . 20 A 20 LYS middle . . 21 A 21 TRP middle . . 22 A 22 PRO middle . false 23 A 23 ILE middle . . 24 A 24 TRP middle . . 25 A 25 GLU middle . . 26 A 26 LYS middle . . 27 A 27 GLU middle . . 28 A 28 VAL middle . . 29 A 29 SER middle . . 30 A 30 GLU middle . . 31 A 31 PHE middle . . 32 A 32 ASP middle . . 33 A 33 TRP middle . . 34 A 34 TYR middle . . 35 A 35 TYR middle . . 36 A 36 ASP middle . . 37 A 37 THR middle . . 38 A 38 ASN middle . . 39 A 39 GLU middle . . 40 A 40 THR middle . . 41 A 41 CYS middle . . 42 A 42 TYR middle . . 43 A 43 ILE middle . . 44 A 44 LEU middle . . 45 A 45 GLU middle . . 46 A 46 GLY middle . false 47 A 47 LYS middle . . 48 A 48 VAL middle . . 49 A 49 GLU middle . . 50 A 50 VAL middle . . 51 A 51 THR middle . . 52 A 52 THR middle . . 53 A 53 GLU middle . . 54 A 54 ASP middle . . 55 A 55 GLY middle . false 56 A 56 LYS middle . . 57 A 57 LYS middle . . 58 A 58 TYR middle . . 59 A 59 VAL middle . . 60 A 60 ILE middle . . 61 A 61 GLU middle . . 62 A 62 LYS middle . . 63 A 63 GLY middle . false 64 A 64 ASP middle . . 65 A 65 LEU middle . . 66 A 66 VAL middle . . 67 A 67 THR middle . . 68 A 68 PHE middle . . 69 A 69 PRO middle . false 70 A 70 LYS middle . . 71 A 71 GLY middle . false 72 A 72 LEU middle . . 73 A 73 ARG middle . . 74 A 74 CYS middle . . 75 A 75 ARG middle . . 76 A 76 TRP middle . . 77 A 77 LYS middle . . 78 A 78 VAL middle . . 79 A 79 LEU middle . . 80 A 80 GLU middle . . 81 A 81 PRO middle . false 82 A 82 VAL middle . . 83 A 83 ARG middle . . 84 A 84 LYS middle . . 85 A 85 HIS middle . . 86 A 86 TYR middle . . 87 A 87 ASN middle . . 88 A 88 LEU middle . . 89 A 89 PHE end . . stop_ save_ save_assigned_chem_shift_list_1 _nef_chemical_shift_list.sf_category nef_chemical_shift_list _nef_chemical_shift_list.sf_framecode assigned_chem_shift_list_1 loop_ _nef_chemical_shift.chain_code _nef_chemical_shift.sequence_code _nef_chemical_shift.residue_name _nef_chemical_shift.atom_name _nef_chemical_shift.element _nef_chemical_shift.isotope_number _nef_chemical_shift.value _nef_chemical_shift.value_uncertainty A 1 MET HE% H 1 2.067 0.01 A 1 MET CE C 13 17.541 0.200 A 2 GLU HA H 1 4.519 0.01 A 2 GLU HBy H 1 1.968 0.01 A 2 GLU HBx H 1 1.804 0.01 A 2 GLU HGx H 1 2.134 0.01 A 2 GLU HGy H 1 2.134 0.01 A 2 GLU C C 13 174.820 0.080 A 2 GLU CA C 13 55.400 0.200 A 2 GLU CB C 13 32.487 0.200 A 2 GLU CG C 13 36.125 0.200 A 3 VAL H H 1 6.919 0.01 A 3 VAL HA H 1 3.610 0.01 A 3 VAL HB H 1 0.310 0.01 A 3 VAL HGx% H 1 -0.255 0.01 A 3 VAL HGy% H 1 0.416 0.01 A 3 VAL C C 13 174.250 0.080 A 3 VAL CA C 13 62.230 0.200 A 3 VAL CB C 13 32.236 0.200 A 3 VAL CGx C 13 20.911 0.200 A 3 VAL CGy C 13 23.058 0.200 A 3 VAL N N 15 122.180 0.200 A 4 LYS H H 1 7.606 0.01 A 4 LYS HA H 1 4.382 0.01 A 4 LYS HBx H 1 1.557 0.01 A 4 LYS HBy H 1 1.680 0.01 A 4 LYS HDx H 1 1.462 0.01 A 4 LYS HDy H 1 1.462 0.01 A 4 LYS HEx H 1 2.755 0.01 A 4 LYS HEy H 1 2.755 0.01 A 4 LYS HGy H 1 1.323 0.01 A 4 LYS HGx H 1 1.207 0.01 A 4 LYS C C 13 174.510 0.080 A 4 LYS CA C 13 55.100 0.200 A 4 LYS CB C 13 34.550 0.200 A 4 LYS CD C 13 29.309 0.200 A 4 LYS CE C 13 42.170 0.200 A 4 LYS CG C 13 24.919 0.200 A 4 LYS N N 15 127.440 0.200 A 5 ILE H H 1 8.361 0.01 A 5 ILE HA H 1 4.452 0.01 A 5 ILE HB H 1 1.517 0.01 A 5 ILE HD1% H 1 0.729 0.01 A 5 ILE HG1x H 1 0.593 0.01 A 5 ILE HG1y H 1 1.214 0.01 A 5 ILE HG2% H 1 0.731 0.01 A 5 ILE C C 13 175.080 0.080 A 5 ILE CA C 13 61.530 0.200 A 5 ILE CB C 13 40.925 0.200 A 5 ILE CD1 C 13 15.173 0.200 A 5 ILE CG1 C 13 28.659 0.200 A 5 ILE CG2 C 13 17.989 0.200 A 5 ILE N N 15 124.694 0.200 A 6 GLU H H 1 9.094 0.01 A 6 GLU HA H 1 4.706 0.01 A 6 GLU HBx H 1 1.969 0.01 A 6 GLU HBy H 1 1.969 0.01 A 6 GLU HGx H 1 1.951 0.01 A 6 GLU HGy H 1 2.075 0.01 A 6 GLU C C 13 173.820 0.080 A 6 GLU CA C 13 54.220 0.200 A 6 GLU CB C 13 34.405 0.200 A 6 GLU CG C 13 37.110 0.200 A 6 GLU N N 15 127.170 0.200 A 7 LYS H H 1 8.557 0.01 A 7 LYS HA H 1 5.262 0.01 A 7 LYS HBx H 1 1.791 0.01 A 7 LYS HBy H 1 1.791 0.01 A 7 LYS HDx H 1 1.558 0.01 A 7 LYS HDy H 1 1.651 0.01 A 7 LYS HEx H 1 2.849 0.01 A 7 LYS HEy H 1 2.849 0.01 A 7 LYS HGy H 1 1.491 0.01 A 7 LYS HGx H 1 1.372 0.01 A 7 LYS C C 13 176.800 0.080 A 7 LYS CA C 13 52.459 0.200 A 7 LYS CB C 13 31.887 0.200 A 7 LYS CD C 13 29.129 0.200 A 7 LYS CE C 13 42.434 0.200 A 7 LYS CG C 13 24.731 0.200 A 7 LYS N N 15 121.900 0.200 A 8 PRO HBy H 1 1.966 0.01 A 8 PRO HBx H 1 1.864 0.01 A 8 PRO HDy H 1 4.411 0.01 A 8 PRO HDx H 1 3.838 0.01 A 8 PRO HGy H 1 1.966 0.01 A 8 PRO HGx H 1 1.857 0.01 A 8 PRO CB C 13 32.450 0.200 A 8 PRO CD C 13 51.243 0.200 A 8 PRO CG C 13 27.900 0.200 A 9 THR H H 1 7.769 0.01 A 9 THR HA H 1 4.593 0.01 A 9 THR HB H 1 3.830 0.01 A 9 THR HG2% H 1 1.365 0.01 A 9 THR C C 13 179.820 0.080 A 9 THR CA C 13 59.550 0.200 A 9 THR CB C 13 60.425 0.200 A 9 THR CG2 C 13 22.482 0.200 A 9 THR N N 15 111.420 0.200 A 10 PRO HA H 1 4.037 0.01 A 10 PRO HBy H 1 2.282 0.01 A 10 PRO HBx H 1 1.797 0.01 A 10 PRO HDx H 1 3.843 0.01 A 10 PRO HDy H 1 3.843 0.01 A 10 PRO HGx H 1 1.973 0.01 A 10 PRO HGy H 1 2.150 0.01 A 10 PRO CA C 13 65.124 0.200 A 10 PRO CB C 13 32.035 0.200 A 10 PRO CD C 13 50.564 0.200 A 10 PRO CG C 13 28.152 0.200 A 11 GLU H H 1 8.588 0.01 A 11 GLU HA H 1 3.830 0.01 A 11 GLU HBy H 1 1.973 0.01 A 11 GLU HBx H 1 1.840 0.01 A 11 GLU HGx H 1 2.152 0.01 A 11 GLU HGy H 1 2.373 0.01 A 11 GLU C C 13 178.720 0.080 A 11 GLU CA C 13 60.450 0.200 A 11 GLU CB C 13 28.714 0.200 A 11 GLU CG C 13 37.328 0.200 A 11 GLU N N 15 116.990 0.200 A 12 LYS H H 1 7.747 0.01 A 12 LYS HA H 1 4.029 0.01 A 12 LYS HBy H 1 1.861 0.01 A 12 LYS HBx H 1 1.792 0.01 A 12 LYS HDx H 1 1.542 0.01 A 12 LYS HDy H 1 1.542 0.01 A 12 LYS HEx H 1 2.757 0.01 A 12 LYS HEy H 1 2.757 0.01 A 12 LYS HGy H 1 1.322 0.01 A 12 LYS HGx H 1 1.200 0.01 A 12 LYS C C 13 178.290 0.080 A 12 LYS CA C 13 58.150 0.200 A 12 LYS CB C 13 31.735 0.200 A 12 LYS CD C 13 29.370 0.200 A 12 LYS CE C 13 42.044 0.200 A 12 LYS CG C 13 24.766 0.200 A 12 LYS N N 15 123.270 0.200 A 13 LEU H H 1 7.590 0.01 A 13 LEU HA H 1 3.518 0.01 A 13 LEU HBy H 1 1.607 0.01 A 13 LEU HBx H 1 0.968 0.01 A 13 LEU HDx% H 1 0.346 0.01 A 13 LEU HDy% H 1 -0.013 0.01 A 13 LEU HG H 1 1.316 0.01 A 13 LEU C C 13 180.020 0.080 A 13 LEU CA C 13 57.760 0.200 A 13 LEU CB C 13 41.351 0.200 A 13 LEU CDy C 13 25.429 0.200 A 13 LEU CDx C 13 22.395 0.200 A 13 LEU CG C 13 26.526 0.200 A 13 LEU N N 15 116.860 0.200 A 14 LYS H H 1 7.530 0.01 A 14 LYS HA H 1 3.936 0.01 A 14 LYS HBx H 1 1.767 0.01 A 14 LYS HBy H 1 1.789 0.01 A 14 LYS HDy H 1 1.628 0.01 A 14 LYS HDx H 1 1.549 0.01 A 14 LYS HEx H 1 2.847 0.01 A 14 LYS HEy H 1 2.847 0.01 A 14 LYS HGy H 1 1.369 0.01 A 14 LYS HGx H 1 1.287 0.01 A 14 LYS C C 13 179.610 0.080 A 14 LYS CA C 13 58.852 0.200 A 14 LYS CB C 13 32.260 0.200 A 14 LYS CD C 13 29.232 0.200 A 14 LYS CE C 13 42.182 0.200 A 14 LYS CG C 13 24.962 0.200 A 14 LYS N N 15 118.900 0.200 A 15 GLU H H 1 7.941 0.01 A 15 GLU HA H 1 3.869 0.01 A 15 GLU HBy H 1 2.091 0.01 A 15 GLU HBx H 1 2.040 0.01 A 15 GLU HGy H 1 2.273 0.01 A 15 GLU HGx H 1 2.100 0.01 A 15 GLU C C 13 178.700 0.080 A 15 GLU CA C 13 59.080 0.200 A 15 GLU CB C 13 29.824 0.200 A 15 GLU CG C 13 36.210 0.200 A 15 GLU N N 15 121.830 0.200 A 16 LEU H H 1 7.672 0.01 A 16 LEU HA H 1 4.061 0.01 A 16 LEU HBy H 1 1.417 0.01 A 16 LEU HBx H 1 1.360 0.01 A 16 LEU HDx% H 1 0.643 0.01 A 16 LEU HDy% H 1 0.802 0.01 A 16 LEU C C 13 176.370 0.080 A 16 LEU CA C 13 55.400 0.200 A 16 LEU CB C 13 44.064 0.200 A 16 LEU CDy C 13 26.317 0.200 A 16 LEU CDx C 13 22.637 0.200 A 16 LEU N N 15 117.050 0.200 A 17 SER H H 1 7.496 0.01 A 17 SER HA H 1 3.860 0.01 A 17 SER HBx H 1 3.863 0.01 A 17 SER HBy H 1 3.941 0.01 A 17 SER C C 13 174.660 0.080 A 17 SER CA C 13 58.380 0.200 A 17 SER CB C 13 61.570 0.200 A 17 SER N N 15 110.640 0.200 A 18 VAL H H 1 6.475 0.01 A 18 VAL HA H 1 1.105 0.01 A 18 VAL HB H 1 0.874 0.01 A 18 VAL HGx% H 1 -0.126 0.01 A 18 VAL HGy% H 1 -0.126 0.01 A 18 VAL C C 13 175.800 0.080 A 18 VAL CA C 13 63.300 0.200 A 18 VAL CB C 13 31.226 0.200 A 18 VAL CGy C 13 21.366 0.200 A 18 VAL N N 15 114.240 0.200 A 19 GLU H H 1 8.230 0.01 A 19 GLU HA H 1 3.307 0.01 A 19 GLU HBx H 1 1.768 0.01 A 19 GLU HBy H 1 1.768 0.01 A 19 GLU HGx H 1 1.939 0.01 A 19 GLU HGy H 1 2.009 0.01 A 19 GLU C C 13 177.180 0.080 A 19 GLU CA C 13 57.550 0.200 A 19 GLU CB C 13 28.359 0.200 A 19 GLU CG C 13 36.268 0.200 A 19 GLU N N 15 114.720 0.200 A 20 LYS H H 1 7.448 0.01 A 20 LYS HA H 1 4.317 0.01 A 20 LYS HBy H 1 2.026 0.01 A 20 LYS HBx H 1 1.864 0.01 A 20 LYS HDx H 1 1.627 0.01 A 20 LYS HDy H 1 1.627 0.01 A 20 LYS HEx H 1 2.932 0.01 A 20 LYS HEy H 1 2.932 0.01 A 20 LYS HGy H 1 1.374 0.01 A 20 LYS HGx H 1 1.321 0.01 A 20 LYS C C 13 177.400 0.080 A 20 LYS CA C 13 55.700 0.200 A 20 LYS CB C 13 32.773 0.200 A 20 LYS CD C 13 29.104 0.200 A 20 LYS CE C 13 42.426 0.200 A 20 LYS CG C 13 25.627 0.200 A 20 LYS N N 15 117.460 0.200 A 21 TRP H H 1 7.987 0.01 A 21 TRP HA H 1 4.969 0.01 A 21 TRP HBx H 1 3.446 0.01 A 21 TRP HBy H 1 3.614 0.01 A 21 TRP HD1 H 1 6.800 0.01 A 21 TRP HE1 H 1 9.317 0.01 A 21 TRP HH2 H 1 6.845 0.01 A 21 TRP HZ2 H 1 7.299 0.01 A 21 TRP HZ3 H 1 6.562 0.01 A 21 TRP CA C 13 53.910 0.200 A 21 TRP CB C 13 28.621 0.200 A 21 TRP CD1 C 13 125.050 0.200 A 21 TRP CH2 C 13 123.454 0.200 A 21 TRP CZ2 C 13 115.302 0.200 A 21 TRP CZ3 C 13 121.115 0.200 A 21 TRP N N 15 124.210 0.200 A 21 TRP NE1 N 15 126.791 0.200 A 22 PRO HA H 1 4.551 0.01 A 22 PRO HBy H 1 2.300 0.01 A 22 PRO HBx H 1 1.813 0.01 A 22 PRO HDy H 1 4.023 0.01 A 22 PRO HDx H 1 3.647 0.01 A 22 PRO HGx H 1 1.194 0.01 A 22 PRO HGy H 1 1.687 0.01 A 22 PRO C C 13 174.010 0.080 A 22 PRO CA C 13 63.010 0.200 A 22 PRO CB C 13 32.390 0.200 A 22 PRO CD C 13 50.643 0.200 A 22 PRO CG C 13 27.176 0.200 A 23 ILE H H 1 8.175 0.01 A 23 ILE HA H 1 5.444 0.01 A 23 ILE HB H 1 1.585 0.01 A 23 ILE HD1% H 1 0.550 0.01 A 23 ILE HG1y H 1 1.536 0.01 A 23 ILE HG1x H 1 0.445 0.01 A 23 ILE HG2% H 1 0.686 0.01 A 23 ILE C C 13 176.390 0.080 A 23 ILE CA C 13 59.190 0.200 A 23 ILE CB C 13 41.123 0.200 A 23 ILE CD1 C 13 13.196 0.200 A 23 ILE CG1 C 13 28.470 0.200 A 23 ILE CG2 C 13 17.811 0.200 A 23 ILE N N 15 117.930 0.200 A 24 TRP H H 1 9.188 0.01 A 24 TRP HA H 1 4.908 0.01 A 24 TRP HBy H 1 3.098 0.01 A 24 TRP HBx H 1 2.636 0.01 A 24 TRP HD1 H 1 7.173 0.01 A 24 TRP HE1 H 1 9.836 0.01 A 24 TRP HE3 H 1 6.980 0.01 A 24 TRP HH2 H 1 6.341 0.01 A 24 TRP HZ2 H 1 6.607 0.01 A 24 TRP C C 13 173.880 0.080 A 24 TRP CA C 13 56.600 0.200 A 24 TRP CB C 13 34.550 0.200 A 24 TRP CD1 C 13 129.101 0.200 A 24 TRP CE3 C 13 119.064 0.200 A 24 TRP CH2 C 13 123.181 0.200 A 24 TRP CZ2 C 13 114.437 0.200 A 24 TRP N N 15 129.850 0.200 A 24 TRP NE1 N 15 130.640 0.200 A 25 GLU H H 1 7.874 0.01 A 25 GLU HA H 1 5.186 0.01 A 25 GLU HBx H 1 1.710 0.01 A 25 GLU HBy H 1 1.761 0.01 A 25 GLU HGy H 1 1.992 0.01 A 25 GLU HGx H 1 1.921 0.01 A 25 GLU C C 13 173.470 0.080 A 25 GLU CA C 13 53.820 0.200 A 25 GLU CB C 13 34.009 0.200 A 25 GLU CG C 13 36.544 0.200 A 25 GLU N N 15 125.910 0.200 A 26 LYS H H 1 8.060 0.01 A 26 LYS HA H 1 3.768 0.01 A 26 LYS HBx H 1 0.095 0.01 A 26 LYS HBy H 1 1.184 0.01 A 26 LYS HDy H 1 1.672 0.01 A 26 LYS HDx H 1 1.125 0.01 A 26 LYS HEy H 1 2.450 0.01 A 26 LYS HEx H 1 2.271 0.01 A 26 LYS HGy H 1 1.482 0.01 A 26 LYS HGx H 1 0.988 0.01 A 26 LYS C C 13 173.070 0.080 A 26 LYS CA C 13 54.760 0.200 A 26 LYS CB C 13 37.271 0.200 A 26 LYS CD C 13 24.076 0.200 A 26 LYS CE C 13 42.395 0.200 A 26 LYS CG C 13 27.964 0.200 A 26 LYS N N 15 120.730 0.200 A 27 GLU H H 1 8.668 0.01 A 27 GLU HA H 1 4.139 0.01 A 27 GLU HBx H 1 2.045 0.01 A 27 GLU HBy H 1 2.085 0.01 A 27 GLU HGy H 1 2.320 0.01 A 27 GLU HGx H 1 2.097 0.01 A 27 GLU C C 13 175.150 0.080 A 27 GLU CA C 13 55.350 0.200 A 27 GLU CB C 13 29.857 0.200 A 27 GLU CG C 13 35.304 0.200 A 27 GLU N N 15 125.260 0.200 A 28 VAL H H 1 8.003 0.01 A 28 VAL HA H 1 3.573 0.01 A 28 VAL HB H 1 1.864 0.01 A 28 VAL HGx% H 1 0.835 0.01 A 28 VAL HGy% H 1 1.014 0.01 A 28 VAL C C 13 176.700 0.080 A 28 VAL CA C 13 65.950 0.200 A 28 VAL CB C 13 31.562 0.200 A 28 VAL CGy C 13 22.154 0.200 A 28 VAL CGx C 13 20.458 0.200 A 28 VAL N N 15 120.070 0.200 A 29 SER H H 1 7.782 0.01 A 29 SER HA H 1 4.630 0.01 A 29 SER HBy H 1 4.418 0.01 A 29 SER HBx H 1 3.792 0.01 A 29 SER C C 13 172.300 0.080 A 29 SER CA C 13 58.630 0.200 A 29 SER CB C 13 63.940 0.200 A 29 SER N N 15 118.810 0.200 A 30 GLU H H 1 8.525 0.01 A 30 GLU HA H 1 5.636 0.01 A 30 GLU HBy H 1 1.983 0.01 A 30 GLU HBx H 1 1.950 0.01 A 30 GLU HGx H 1 2.113 0.01 A 30 GLU HGy H 1 2.113 0.01 A 30 GLU C C 13 175.610 0.080 A 30 GLU CA C 13 55.360 0.200 A 30 GLU CB C 13 33.658 0.200 A 30 GLU CG C 13 36.613 0.200 A 30 GLU N N 15 118.000 0.200 A 31 PHE H H 1 8.641 0.01 A 31 PHE HA H 1 4.969 0.01 A 31 PHE HBy H 1 3.389 0.01 A 31 PHE HBx H 1 3.173 0.01 A 31 PHE HDx H 1 7.038 0.01 A 31 PHE HDy H 1 7.038 0.01 A 31 PHE HEx H 1 6.754 0.01 A 31 PHE HEy H 1 6.754 0.01 A 31 PHE HZ H 1 6.598 0.01 A 31 PHE C C 13 172.670 0.080 A 31 PHE CA C 13 56.300 0.200 A 31 PHE CB C 13 39.620 0.200 A 31 PHE CDx C 13 133.127 0.200 A 31 PHE CEx C 13 130.737 0.200 A 31 PHE CZ C 13 128.888 0.200 A 31 PHE N N 15 119.650 0.200 A 32 ASP H H 1 8.744 0.01 A 32 ASP HA H 1 5.345 0.01 A 32 ASP HBy H 1 2.732 0.01 A 32 ASP HBx H 1 2.530 0.01 A 32 ASP C C 13 175.560 0.080 A 32 ASP CA C 13 54.520 0.200 A 32 ASP CB C 13 43.213 0.200 A 32 ASP N N 15 121.110 0.200 A 33 TRP H H 1 9.294 0.01 A 33 TRP HA H 1 4.461 0.01 A 33 TRP HBy H 1 2.586 0.01 A 33 TRP HBx H 1 2.535 0.01 A 33 TRP HE1 H 1 9.306 0.01 A 33 TRP HE3 H 1 7.395 0.01 A 33 TRP HH2 H 1 6.553 0.01 A 33 TRP HZ2 H 1 6.964 0.01 A 33 TRP HZ3 H 1 6.606 0.01 A 33 TRP C C 13 173.000 0.080 A 33 TRP CA C 13 57.480 0.200 A 33 TRP CB C 13 34.190 0.200 A 33 TRP CE3 C 13 120.324 0.200 A 33 TRP CH2 C 13 123.330 0.200 A 33 TRP CZ2 C 13 114.330 0.200 A 33 TRP CZ3 C 13 120.689 0.200 A 33 TRP N N 15 122.270 0.200 A 33 TRP NE1 N 15 129.818 0.200 A 34 TYR H H 1 6.864 0.01 A 34 TYR HA H 1 5.126 0.01 A 34 TYR HBy H 1 2.713 0.01 A 34 TYR HBx H 1 2.383 0.01 A 34 TYR HDx H 1 6.720 0.01 A 34 TYR HDy H 1 6.720 0.01 A 34 TYR HEx H 1 6.562 0.01 A 34 TYR HEy H 1 6.562 0.01 A 34 TYR C C 13 173.640 0.080 A 34 TYR CA C 13 55.230 0.200 A 34 TYR CB C 13 40.430 0.200 A 34 TYR CDx C 13 132.709 0.200 A 34 TYR CEx C 13 117.674 0.200 A 34 TYR N N 15 126.610 0.200 A 35 TYR H H 1 7.938 0.01 A 35 TYR HA H 1 3.991 0.01 A 35 TYR HBy H 1 3.396 0.01 A 35 TYR HBx H 1 2.649 0.01 A 35 TYR HDx H 1 7.032 0.01 A 35 TYR HDy H 1 7.032 0.01 A 35 TYR HEx H 1 6.375 0.01 A 35 TYR HEy H 1 6.375 0.01 A 35 TYR C C 13 174.370 0.080 A 35 TYR CA C 13 59.580 0.200 A 35 TYR CB C 13 36.274 0.200 A 35 TYR CDx C 13 132.663 0.200 A 35 TYR CEx C 13 118.741 0.200 A 35 TYR N N 15 127.070 0.200 A 36 ASP H H 1 8.089 0.01 A 36 ASP HA H 1 4.185 0.01 A 36 ASP HBy H 1 2.590 0.01 A 36 ASP HBx H 1 2.464 0.01 A 36 ASP C C 13 175.460 0.080 A 36 ASP CA C 13 55.030 0.200 A 36 ASP CB C 13 40.924 0.200 A 36 ASP N N 15 125.663 0.200 A 37 THR H H 1 7.729 0.01 A 37 THR HA H 1 4.371 0.01 A 37 THR HB H 1 4.472 0.01 A 37 THR HG2% H 1 1.008 0.01 A 37 THR C C 13 173.790 0.080 A 37 THR CA C 13 59.820 0.200 A 37 THR CB C 13 71.306 0.200 A 37 THR CG2 C 13 20.288 0.200 A 37 THR N N 15 109.230 0.200 A 38 ASN H H 1 7.824 0.01 A 38 ASN HA H 1 4.727 0.01 A 38 ASN HBy H 1 1.542 0.01 A 38 ASN HBx H 1 0.696 0.01 A 38 ASN HD2y H 1 7.103 0.01 A 38 ASN HD2x H 1 6.918 0.01 A 38 ASN C C 13 176.580 0.080 A 38 ASN CA C 13 53.360 0.200 A 38 ASN CB C 13 39.313 0.200 A 38 ASN N N 15 113.850 0.200 A 38 ASN ND2 N 15 119.577 0.200 A 39 GLU H H 1 8.714 0.01 A 39 GLU HA H 1 5.256 0.01 A 39 GLU HBy H 1 1.990 0.01 A 39 GLU HBx H 1 1.838 0.01 A 39 GLU HGy H 1 2.160 0.01 A 39 GLU HGx H 1 1.863 0.01 A 39 GLU C C 13 175.470 0.080 A 39 GLU CA C 13 55.840 0.200 A 39 GLU CB C 13 34.323 0.200 A 39 GLU CG C 13 36.969 0.200 A 39 GLU N N 15 123.030 0.200 A 40 THR H H 1 9.006 0.01 A 40 THR HA H 1 5.959 0.01 A 40 THR HB H 1 3.784 0.01 A 40 THR HG2% H 1 1.377 0.01 A 40 THR C C 13 173.350 0.080 A 40 THR CA C 13 61.500 0.200 A 40 THR CB C 13 70.660 0.200 A 40 THR CG2 C 13 23.168 0.200 A 40 THR N N 15 124.710 0.200 A 41 CYS H H 1 10.261 0.01 A 41 CYS HA H 1 6.238 0.01 A 41 CYS HBy H 1 3.725 0.01 A 41 CYS HBx H 1 3.068 0.01 A 41 CYS C C 13 171.800 0.080 A 41 CYS CA C 13 54.630 0.200 A 41 CYS CB C 13 32.955 0.200 A 41 CYS N N 15 121.830 0.200 A 42 TYR H H 1 9.515 0.01 A 42 TYR HA H 1 5.809 0.01 A 42 TYR HBy H 1 2.823 0.01 A 42 TYR HBx H 1 2.650 0.01 A 42 TYR HDx H 1 6.760 0.01 A 42 TYR HDy H 1 6.760 0.01 A 42 TYR C C 13 175.020 0.080 A 42 TYR CA C 13 55.430 0.200 A 42 TYR CB C 13 42.690 0.200 A 42 TYR CDx C 13 132.323 0.200 A 42 TYR N N 15 122.230 0.200 A 43 ILE H H 1 8.263 0.01 A 43 ILE HA H 1 3.954 0.01 A 43 ILE HB H 1 2.154 0.01 A 43 ILE HD1% H 1 0.599 0.01 A 43 ILE HG1y H 1 1.590 0.01 A 43 ILE HG1x H 1 1.088 0.01 A 43 ILE HG2% H 1 0.473 0.01 A 43 ILE C C 13 174.780 0.080 A 43 ILE CA C 13 59.430 0.200 A 43 ILE CB C 13 34.729 0.200 A 43 ILE CD1 C 13 9.243 0.200 A 43 ILE CG1 C 13 25.978 0.200 A 43 ILE CG2 C 13 18.170 0.200 A 43 ILE N N 15 127.054 0.200 A 44 LEU H H 1 8.549 0.01 A 44 LEU HA H 1 4.019 0.01 A 44 LEU HBx H 1 1.571 0.01 A 44 LEU HBy H 1 1.571 0.01 A 44 LEU HDx% H 1 0.689 0.01 A 44 LEU HDy% H 1 1.108 0.01 A 44 LEU HG H 1 1.669 0.01 A 44 LEU C C 13 177.160 0.080 A 44 LEU CA C 13 56.870 0.200 A 44 LEU CB C 13 44.368 0.200 A 44 LEU CDy C 13 25.773 0.200 A 44 LEU CDx C 13 23.838 0.200 A 44 LEU CG C 13 27.398 0.200 A 44 LEU N N 15 130.870 0.200 A 45 GLU H H 1 7.708 0.01 A 45 GLU HA H 1 4.333 0.01 A 45 GLU HBy H 1 2.045 0.01 A 45 GLU HBx H 1 1.829 0.01 A 45 GLU HGx H 1 2.166 0.01 A 45 GLU HGy H 1 2.166 0.01 A 45 GLU C C 13 173.960 0.080 A 45 GLU CA C 13 55.240 0.200 A 45 GLU CB C 13 34.332 0.200 A 45 GLU CG C 13 35.895 0.200 A 45 GLU N N 15 113.220 0.200 A 46 GLY H H 1 8.573 0.01 A 46 GLY HAy H 1 4.461 0.01 A 46 GLY HAx H 1 3.366 0.01 A 46 GLY C C 13 172.180 0.080 A 46 GLY CA C 13 45.331 0.200 A 46 GLY N N 15 108.790 0.200 A 47 LYS H H 1 7.239 0.01 A 47 LYS HA H 1 5.024 0.01 A 47 LYS HBy H 1 1.704 0.01 A 47 LYS HBx H 1 1.451 0.01 A 47 LYS HDx H 1 1.542 0.01 A 47 LYS HDy H 1 1.542 0.01 A 47 LYS HEx H 1 2.758 0.01 A 47 LYS HEy H 1 2.758 0.01 A 47 LYS HGx H 1 1.145 0.01 A 47 LYS HGy H 1 1.316 0.01 A 47 LYS C C 13 174.860 0.080 A 47 LYS CA C 13 56.500 0.200 A 47 LYS CB C 13 36.500 0.200 A 47 LYS CD C 13 29.690 0.200 A 47 LYS CE C 13 42.040 0.200 A 47 LYS CG C 13 25.765 0.200 A 47 LYS N N 15 116.630 0.200 A 48 VAL H H 1 9.243 0.01 A 48 VAL HA H 1 4.894 0.01 A 48 VAL HB H 1 1.535 0.01 A 48 VAL HGx% H 1 0.304 0.01 A 48 VAL HGy% H 1 0.808 0.01 A 48 VAL C C 13 173.550 0.080 A 48 VAL CA C 13 59.900 0.200 A 48 VAL CB C 13 36.570 0.200 A 48 VAL CGx C 13 21.655 0.200 A 48 VAL CGy C 13 21.746 0.200 A 48 VAL N N 15 126.030 0.200 A 49 GLU H H 1 8.983 0.01 A 49 GLU HA H 1 5.108 0.01 A 49 GLU HBx H 1 1.881 0.01 A 49 GLU HBy H 1 1.930 0.01 A 49 GLU HGy H 1 2.076 0.01 A 49 GLU HGx H 1 1.893 0.01 A 49 GLU C C 13 175.840 0.080 A 49 GLU CA C 13 54.470 0.200 A 49 GLU CB C 13 32.640 0.200 A 49 GLU CG C 13 37.190 0.200 A 49 GLU N N 15 124.990 0.200 A 50 VAL H H 1 9.491 0.01 A 50 VAL HA H 1 4.899 0.01 A 50 VAL HB H 1 1.789 0.01 A 50 VAL HGx% H 1 -0.009 0.01 A 50 VAL HGy% H 1 0.754 0.01 A 50 VAL C C 13 175.400 0.080 A 50 VAL CA C 13 60.670 0.200 A 50 VAL CB C 13 34.423 0.200 A 50 VAL CGx C 13 20.466 0.200 A 50 VAL CGy C 13 21.561 0.200 A 50 VAL N N 15 130.390 0.200 A 51 THR H H 1 8.920 0.01 A 51 THR HA H 1 5.545 0.01 A 51 THR HB H 1 3.924 0.01 A 51 THR HG2% H 1 1.164 0.01 A 51 THR C C 13 176.670 0.080 A 51 THR CA C 13 60.730 0.200 A 51 THR CB C 13 70.230 0.200 A 51 THR CG2 C 13 21.118 0.200 A 51 THR N N 15 122.230 0.200 A 52 THR H H 1 9.588 0.01 A 52 THR HA H 1 4.653 0.01 A 52 THR HB H 1 4.904 0.01 A 52 THR HG2% H 1 1.476 0.01 A 52 THR C C 13 176.870 0.080 A 52 THR CA C 13 61.830 0.200 A 52 THR CB C 13 70.366 0.200 A 52 THR CG2 C 13 23.759 0.200 A 52 THR N N 15 119.140 0.200 A 53 GLU H H 1 8.471 0.01 A 53 GLU HA H 1 4.117 0.01 A 53 GLU HBy H 1 2.160 0.01 A 53 GLU HBx H 1 2.086 0.01 A 53 GLU HGx H 1 2.301 0.01 A 53 GLU HGy H 1 2.337 0.01 A 53 GLU C C 13 176.480 0.080 A 53 GLU CA C 13 59.210 0.200 A 53 GLU CB C 13 29.877 0.200 A 53 GLU CG C 13 36.164 0.200 A 53 GLU N N 15 121.550 0.200 A 54 ASP H H 1 8.197 0.01 A 54 ASP HA H 1 4.607 0.01 A 54 ASP HBy H 1 2.879 0.01 A 54 ASP HBx H 1 2.675 0.01 A 54 ASP C C 13 176.530 0.080 A 54 ASP CA C 13 53.410 0.200 A 54 ASP CB C 13 40.147 0.200 A 54 ASP N N 15 114.680 0.200 A 55 GLY H H 1 8.083 0.01 A 55 GLY HAy H 1 4.135 0.01 A 55 GLY HAx H 1 3.533 0.01 A 55 GLY C C 13 174.630 0.080 A 55 GLY CA C 13 45.925 0.200 A 55 GLY N N 15 107.960 0.200 A 56 LYS H H 1 7.510 0.01 A 56 LYS HA H 1 4.137 0.01 A 56 LYS HBy H 1 1.865 0.01 A 56 LYS HBx H 1 1.476 0.01 A 56 LYS HDx H 1 1.628 0.01 A 56 LYS HDy H 1 1.628 0.01 A 56 LYS HEx H 1 2.839 0.01 A 56 LYS HEy H 1 2.839 0.01 A 56 LYS HGx H 1 1.129 0.01 A 56 LYS HGy H 1 1.253 0.01 A 56 LYS C C 13 174.600 0.080 A 56 LYS CA C 13 56.470 0.200 A 56 LYS CB C 13 33.150 0.200 A 56 LYS CD C 13 29.280 0.200 A 56 LYS CE C 13 42.390 0.200 A 56 LYS CG C 13 25.651 0.200 A 56 LYS N N 15 121.560 0.200 A 57 LYS H H 1 7.872 0.01 A 57 LYS HA H 1 5.243 0.01 A 57 LYS HBy H 1 1.464 0.01 A 57 LYS HBx H 1 1.439 0.01 A 57 LYS HDx H 1 1.459 0.01 A 57 LYS HDy H 1 1.552 0.01 A 57 LYS HEx H 1 2.764 0.01 A 57 LYS HEy H 1 2.764 0.01 A 57 LYS HGx H 1 1.174 0.01 A 57 LYS HGy H 1 1.209 0.01 A 57 LYS C C 13 175.490 0.080 A 57 LYS CA C 13 54.850 0.200 A 57 LYS CB C 13 35.554 0.200 A 57 LYS CD C 13 29.446 0.200 A 57 LYS CE C 13 42.097 0.200 A 57 LYS CG C 13 25.175 0.200 A 57 LYS N N 15 121.580 0.200 A 58 TYR H H 1 9.231 0.01 A 58 TYR HA H 1 4.580 0.01 A 58 TYR HBy H 1 2.661 0.01 A 58 TYR HBx H 1 2.416 0.01 A 58 TYR HDx H 1 6.875 0.01 A 58 TYR HDy H 1 6.875 0.01 A 58 TYR HEx H 1 6.707 0.01 A 58 TYR HEy H 1 6.707 0.01 A 58 TYR C C 13 174.460 0.080 A 58 TYR CA C 13 56.570 0.200 A 58 TYR CB C 13 41.270 0.200 A 58 TYR CDx C 13 133.036 0.200 A 58 TYR CEx C 13 118.245 0.200 A 58 TYR N N 15 123.400 0.200 A 59 VAL H H 1 8.487 0.01 A 59 VAL HA H 1 4.720 0.01 A 59 VAL HB H 1 1.872 0.01 A 59 VAL HGx% H 1 0.833 0.01 A 59 VAL HGy% H 1 0.733 0.01 A 59 VAL C C 13 175.050 0.080 A 59 VAL CA C 13 62.140 0.200 A 59 VAL CB C 13 32.709 0.200 A 59 VAL CGy C 13 21.539 0.200 A 59 VAL CGx C 13 21.516 0.200 A 59 VAL N N 15 123.920 0.200 A 60 ILE H H 1 8.896 0.01 A 60 ILE HA H 1 4.535 0.01 A 60 ILE HB H 1 1.498 0.01 A 60 ILE HD1% H 1 0.326 0.01 A 60 ILE HG1y H 1 1.182 0.01 A 60 ILE HG1x H 1 0.753 0.01 A 60 ILE HG2% H 1 0.627 0.01 A 60 ILE C C 13 173.680 0.080 A 60 ILE CA C 13 59.610 0.200 A 60 ILE CB C 13 40.953 0.200 A 60 ILE CD1 C 13 14.021 0.200 A 60 ILE CG1 C 13 27.160 0.200 A 60 ILE CG2 C 13 18.446 0.200 A 60 ILE N N 15 125.750 0.200 A 61 GLU H H 1 9.330 0.01 A 61 GLU HA H 1 5.020 0.01 A 61 GLU HBy H 1 1.958 0.01 A 61 GLU HBx H 1 1.935 0.01 A 61 GLU HGy H 1 2.099 0.01 A 61 GLU HGx H 1 2.024 0.01 A 61 GLU C C 13 173.750 0.080 A 61 GLU CA C 13 53.920 0.200 A 61 GLU CB C 13 34.725 0.200 A 61 GLU CG C 13 35.066 0.200 A 61 GLU N N 15 123.510 0.200 A 62 LYS H H 1 7.343 0.01 A 62 LYS HA H 1 3.448 0.01 A 62 LYS HBx H 1 1.686 0.01 A 62 LYS HBy H 1 1.686 0.01 A 62 LYS HDy H 1 1.751 0.01 A 62 LYS HDx H 1 1.669 0.01 A 62 LYS HEx H 1 3.010 0.01 A 62 LYS HEy H 1 3.046 0.01 A 62 LYS HGy H 1 1.371 0.01 A 62 LYS HGx H 1 1.117 0.01 A 62 LYS C C 13 176.600 0.080 A 62 LYS CA C 13 58.100 0.200 A 62 LYS CB C 13 33.612 0.200 A 62 LYS CD C 13 30.232 0.200 A 62 LYS CE C 13 42.317 0.200 A 62 LYS CG C 13 24.181 0.200 A 62 LYS N N 15 117.940 0.200 A 63 GLY H H 1 8.959 0.01 A 63 GLY HAx H 1 3.597 0.01 A 63 GLY HAy H 1 4.362 0.01 A 63 GLY C C 13 173.780 0.080 A 63 GLY CA C 13 44.764 0.200 A 63 GLY N N 15 116.060 0.200 A 64 ASP H H 1 7.990 0.01 A 64 ASP HA H 1 5.005 0.01 A 64 ASP HBy H 1 2.694 0.01 A 64 ASP HBx H 1 2.218 0.01 A 64 ASP C C 13 174.510 0.080 A 64 ASP CA C 13 55.200 0.200 A 64 ASP CB C 13 42.115 0.200 A 64 ASP N N 15 120.920 0.200 A 65 LEU H H 1 9.074 0.01 A 65 LEU HA H 1 5.600 0.01 A 65 LEU HBy H 1 2.047 0.01 A 65 LEU HBx H 1 1.051 0.01 A 65 LEU HDx% H 1 0.862 0.01 A 65 LEU HDy% H 1 0.694 0.01 A 65 LEU HG H 1 1.426 0.01 A 65 LEU C C 13 175.800 0.080 A 65 LEU CA C 13 53.570 0.200 A 65 LEU CB C 13 45.660 0.200 A 65 LEU CDx C 13 24.822 0.200 A 65 LEU CDy C 13 27.009 0.200 A 65 LEU CG C 13 27.421 0.200 A 65 LEU N N 15 123.160 0.200 A 66 VAL H H 1 9.677 0.01 A 66 VAL HA H 1 4.941 0.01 A 66 VAL HB H 1 1.963 0.01 A 66 VAL HGx% H 1 -0.104 0.01 A 66 VAL HGy% H 1 0.708 0.01 A 66 VAL C C 13 175.160 0.080 A 66 VAL CA C 13 60.480 0.200 A 66 VAL CB C 13 34.552 0.200 A 66 VAL CGx C 13 22.264 0.200 A 66 VAL CGy C 13 22.415 0.200 A 66 VAL N N 15 130.590 0.200 A 67 THR H H 1 8.918 0.01 A 67 THR HA H 1 5.394 0.01 A 67 THR HB H 1 3.781 0.01 A 67 THR HG2% H 1 1.104 0.01 A 67 THR C C 13 173.210 0.080 A 67 THR CA C 13 61.820 0.200 A 67 THR CB C 13 70.730 0.200 A 67 THR CG2 C 13 20.714 0.200 A 67 THR N N 15 121.587 0.200 A 68 PHE H H 1 9.720 0.01 A 68 PHE HA H 1 4.447 0.01 A 68 PHE HBx H 1 1.287 0.01 A 68 PHE HBy H 1 2.067 0.01 A 68 PHE HDx H 1 6.606 0.01 A 68 PHE HDy H 1 6.606 0.01 A 68 PHE HEx H 1 6.847 0.01 A 68 PHE HEy H 1 6.847 0.01 A 68 PHE HZ H 1 6.485 0.01 A 68 PHE CA C 13 54.060 0.200 A 68 PHE CB C 13 39.677 0.200 A 68 PHE CDx C 13 132.342 0.200 A 68 PHE CEx C 13 130.386 0.200 A 68 PHE CZ C 13 128.624 0.200 A 68 PHE N N 15 128.960 0.200 A 69 PRO HA H 1 4.633 0.01 A 69 PRO HBx H 1 2.027 0.01 A 69 PRO HBy H 1 2.027 0.01 A 69 PRO HDy H 1 3.710 0.01 A 69 PRO HDx H 1 3.430 0.01 A 69 PRO HGy H 1 2.061 0.01 A 69 PRO HGx H 1 1.882 0.01 A 69 PRO C C 13 174.720 0.080 A 69 PRO CA C 13 60.990 0.200 A 69 PRO CB C 13 32.173 0.200 A 69 PRO CD C 13 50.848 0.200 A 69 PRO CG C 13 27.246 0.200 A 70 LYS H H 1 7.304 0.01 A 70 LYS HA H 1 3.384 0.01 A 70 LYS HBy H 1 1.306 0.01 A 70 LYS HBx H 1 1.212 0.01 A 70 LYS HDy H 1 1.523 0.01 A 70 LYS HDx H 1 1.488 0.01 A 70 LYS HEx H 1 2.882 0.01 A 70 LYS HEy H 1 2.882 0.01 A 70 LYS HGx H 1 0.886 0.01 A 70 LYS HGy H 1 1.001 0.01 A 70 LYS C C 13 177.130 0.080 A 70 LYS CA C 13 57.150 0.200 A 70 LYS CB C 13 33.133 0.200 A 70 LYS CD C 13 29.939 0.200 A 70 LYS CE C 13 42.241 0.200 A 70 LYS CG C 13 24.446 0.200 A 70 LYS N N 15 119.440 0.200 A 71 GLY H H 1 9.368 0.01 A 71 GLY HAx H 1 3.504 0.01 A 71 GLY HAy H 1 4.298 0.01 A 71 GLY C C 13 174.040 0.080 A 71 GLY CA C 13 44.285 0.200 A 71 GLY N N 15 115.110 0.200 A 72 LEU H H 1 7.615 0.01 A 72 LEU HA H 1 4.354 0.01 A 72 LEU HBy H 1 2.119 0.01 A 72 LEU HBx H 1 1.552 0.01 A 72 LEU HDx% H 1 0.909 0.01 A 72 LEU HDy% H 1 1.071 0.01 A 72 LEU HG H 1 1.525 0.01 A 72 LEU C C 13 174.470 0.080 A 72 LEU CA C 13 56.030 0.200 A 72 LEU CB C 13 42.790 0.200 A 72 LEU CDy C 13 27.881 0.200 A 72 LEU CDx C 13 24.739 0.200 A 72 LEU CG C 13 27.440 0.200 A 72 LEU N N 15 122.850 0.200 A 73 ARG H H 1 8.495 0.01 A 73 ARG HA H 1 5.252 0.01 A 73 ARG HBx H 1 1.793 0.01 A 73 ARG HBy H 1 1.924 0.01 A 73 ARG HDx H 1 3.184 0.01 A 73 ARG HDy H 1 3.184 0.01 A 73 ARG HE H 1 7.275 0.01 A 73 ARG HGy H 1 1.538 0.01 A 73 ARG HGx H 1 1.419 0.01 A 73 ARG C C 13 175.390 0.080 A 73 ARG CA C 13 55.410 0.200 A 73 ARG CB C 13 32.250 0.200 A 73 ARG CD C 13 43.489 0.200 A 73 ARG CG C 13 28.840 0.200 A 73 ARG N N 15 127.030 0.200 A 73 ARG NE N 15 84.094 0.200 A 74 CYS H H 1 9.021 0.01 A 74 CYS HA H 1 5.381 0.01 A 74 CYS HBy H 1 3.021 0.01 A 74 CYS HBx H 1 2.677 0.01 A 74 CYS C C 13 170.910 0.080 A 74 CYS CA C 13 56.030 0.200 A 74 CYS CB C 13 32.767 0.200 A 74 CYS N N 15 117.350 0.200 A 75 ARG H H 1 8.960 0.01 A 75 ARG HA H 1 5.140 0.01 A 75 ARG HBy H 1 1.779 0.01 A 75 ARG HBx H 1 1.693 0.01 A 75 ARG HDy H 1 3.122 0.01 A 75 ARG HDx H 1 3.038 0.01 A 75 ARG HE H 1 7.476 0.01 A 75 ARG HGx H 1 1.433 0.01 A 75 ARG HGy H 1 1.479 0.01 A 75 ARG C C 13 175.580 0.080 A 75 ARG CA C 13 55.510 0.200 A 75 ARG CB C 13 33.594 0.200 A 75 ARG CD C 13 43.589 0.200 A 75 ARG CG C 13 27.815 0.200 A 75 ARG N N 15 120.830 0.200 A 75 ARG NE N 15 84.192 0.200 A 76 TRP H H 1 9.265 0.01 A 76 TRP HA H 1 4.324 0.01 A 76 TRP HBy H 1 2.162 0.01 A 76 TRP HBx H 1 1.704 0.01 A 76 TRP HD1 H 1 6.986 0.01 A 76 TRP HE1 H 1 8.605 0.01 A 76 TRP HE3 H 1 7.240 0.01 A 76 TRP HH2 H 1 6.439 0.01 A 76 TRP HZ2 H 1 6.828 0.01 A 76 TRP HZ3 H 1 6.837 0.01 A 76 TRP C C 13 174.190 0.080 A 76 TRP CA C 13 57.980 0.200 A 76 TRP CB C 13 30.520 0.200 A 76 TRP CD1 C 13 123.581 0.200 A 76 TRP CE3 C 13 120.358 0.200 A 76 TRP CH2 C 13 120.185 0.200 A 76 TRP CZ2 C 13 116.382 0.200 A 76 TRP CZ3 C 13 120.129 0.200 A 76 TRP N N 15 127.150 0.200 A 76 TRP NE1 N 15 126.732 0.200 A 77 LYS H H 1 8.599 0.01 A 77 LYS HA H 1 4.771 0.01 A 77 LYS HBx H 1 1.488 0.01 A 77 LYS HBy H 1 2.080 0.01 A 77 LYS HDx H 1 1.542 0.01 A 77 LYS HDy H 1 1.615 0.01 A 77 LYS HEx H 1 2.828 0.01 A 77 LYS HEy H 1 2.828 0.01 A 77 LYS HGy H 1 1.261 0.01 A 77 LYS HGx H 1 1.096 0.01 A 77 LYS C C 13 174.860 0.080 A 77 LYS CA C 13 55.620 0.200 A 77 LYS CB C 13 34.860 0.200 A 77 LYS CD C 13 30.305 0.200 A 77 LYS CE C 13 42.168 0.200 A 77 LYS CG C 13 25.861 0.200 A 77 LYS N N 15 122.400 0.200 A 78 VAL H H 1 9.236 0.01 A 78 VAL HA H 1 4.029 0.01 A 78 VAL HB H 1 2.488 0.01 A 78 VAL HGx% H 1 0.888 0.01 A 78 VAL HGy% H 1 1.312 0.01 A 78 VAL C C 13 175.360 0.080 A 78 VAL CA C 13 63.920 0.200 A 78 VAL CB C 13 32.566 0.200 A 78 VAL CGy C 13 23.008 0.200 A 78 VAL CGx C 13 22.160 0.200 A 78 VAL N N 15 127.800 0.200 A 79 LEU H H 1 8.657 0.01 A 79 LEU HA H 1 4.330 0.01 A 79 LEU HBx H 1 1.406 0.01 A 79 LEU HBy H 1 1.609 0.01 A 79 LEU HDx% H 1 0.880 0.01 A 79 LEU HDy% H 1 0.762 0.01 A 79 LEU HG H 1 0.796 0.01 A 79 LEU C C 13 177.750 0.080 A 79 LEU CA C 13 56.220 0.200 A 79 LEU CB C 13 43.676 0.200 A 79 LEU CDx C 13 23.122 0.200 A 79 LEU CDy C 13 23.180 0.200 A 79 LEU CG C 13 25.891 0.200 A 79 LEU N N 15 129.300 0.200 A 80 GLU H H 1 7.975 0.01 A 80 GLU HA H 1 4.565 0.01 A 80 GLU HBy H 1 2.034 0.01 A 80 GLU HBx H 1 1.581 0.01 A 80 GLU HGx H 1 2.071 0.01 A 80 GLU HGy H 1 2.285 0.01 A 80 GLU CA C 13 53.540 0.200 A 80 GLU CB C 13 32.154 0.200 A 80 GLU CG C 13 35.910 0.200 A 80 GLU N N 15 119.070 0.200 A 81 PRO HA H 1 4.034 0.01 A 81 PRO HBy H 1 2.228 0.01 A 81 PRO HBx H 1 1.835 0.01 A 81 PRO HDx H 1 3.643 0.01 A 81 PRO HDy H 1 3.643 0.01 A 81 PRO HGx H 1 1.971 0.01 A 81 PRO HGy H 1 2.126 0.01 A 81 PRO C C 13 175.570 0.080 A 81 PRO CA C 13 64.800 0.200 A 81 PRO CB C 13 32.436 0.200 A 81 PRO CD C 13 50.825 0.200 A 81 PRO CG C 13 27.981 0.200 A 82 VAL H H 1 8.335 0.01 A 82 VAL HA H 1 5.162 0.01 A 82 VAL HB H 1 2.039 0.01 A 82 VAL HGx% H 1 1.236 0.01 A 82 VAL HGy% H 1 1.279 0.01 A 82 VAL C C 13 175.040 0.080 A 82 VAL CA C 13 58.790 0.200 A 82 VAL CB C 13 35.809 0.200 A 82 VAL CGx C 13 22.430 0.200 A 82 VAL CGy C 13 23.492 0.200 A 82 VAL N N 15 122.330 0.200 A 83 ARG H H 1 8.193 0.01 A 83 ARG HA H 1 5.207 0.01 A 83 ARG HBy H 1 1.650 0.01 A 83 ARG HBx H 1 1.561 0.01 A 83 ARG HDy H 1 3.122 0.01 A 83 ARG HDx H 1 3.034 0.01 A 83 ARG HE H 1 7.661 0.01 A 83 ARG HGy H 1 1.532 0.01 A 83 ARG HGx H 1 1.412 0.01 A 83 ARG C C 13 175.090 0.080 A 83 ARG CA C 13 55.620 0.200 A 83 ARG CB C 13 34.386 0.200 A 83 ARG CD C 13 43.546 0.200 A 83 ARG CG C 13 28.910 0.200 A 83 ARG N N 15 125.390 0.200 A 83 ARG NE N 15 85.285 0.200 A 84 LYS H H 1 9.740 0.01 A 84 LYS HA H 1 5.818 0.01 A 84 LYS HBx H 1 1.652 0.01 A 84 LYS HBy H 1 2.043 0.01 A 84 LYS HDy H 1 2.030 0.01 A 84 LYS HDx H 1 1.272 0.01 A 84 LYS HGx H 1 2.025 0.01 A 84 LYS HGy H 1 2.025 0.01 A 84 LYS C C 13 174.610 0.080 A 84 LYS CA C 13 53.870 0.200 A 84 LYS CB C 13 37.133 0.200 A 84 LYS CD C 13 26.032 0.200 A 84 LYS CG C 13 25.766 0.200 A 84 LYS N N 15 122.170 0.200 A 85 HIS H H 1 8.882 0.01 A 85 HIS HA H 1 5.993 0.01 A 85 HIS HBx H 1 3.045 0.01 A 85 HIS HBy H 1 3.650 0.01 A 85 HIS HD2 H 1 6.994 0.01 A 85 HIS HE1 H 1 7.750 0.01 A 85 HIS C C 13 177.390 0.080 A 85 HIS CA C 13 55.770 0.200 A 85 HIS CB C 13 33.020 0.200 A 85 HIS CD2 C 13 119.688 0.200 A 85 HIS CE1 C 13 139.921 0.200 A 85 HIS N N 15 122.010 0.200 A 86 TYR H H 1 9.064 0.01 A 86 TYR HA H 1 5.898 0.01 A 86 TYR HBy H 1 2.953 0.01 A 86 TYR HBx H 1 2.579 0.01 A 86 TYR HDx H 1 6.756 0.01 A 86 TYR HDy H 1 6.756 0.01 A 86 TYR HEx H 1 6.574 0.01 A 86 TYR HEy H 1 6.574 0.01 A 86 TYR C C 13 170.830 0.080 A 86 TYR CA C 13 56.770 0.200 A 86 TYR CB C 13 43.420 0.200 A 86 TYR CDx C 13 133.179 0.200 A 86 TYR CEx C 13 117.888 0.200 A 86 TYR N N 15 120.560 0.200 A 87 ASN H H 1 8.743 0.01 A 87 ASN HA H 1 4.330 0.01 A 87 ASN HBy H 1 1.333 0.01 A 87 ASN HBx H 1 -0.116 0.01 A 87 ASN HD2y H 1 6.497 0.01 A 87 ASN HD2x H 1 6.413 0.01 A 87 ASN C C 13 173.230 0.080 A 87 ASN CA C 13 52.160 0.200 A 87 ASN CB C 13 40.323 0.200 A 87 ASN N N 15 118.720 0.200 A 87 ASN ND2 N 15 111.053 0.200 A 88 LEU H H 1 7.798 0.01 A 88 LEU HA H 1 5.191 0.01 A 88 LEU HBx H 1 1.605 0.01 A 88 LEU HBy H 1 1.752 0.01 A 88 LEU HDx% H 1 0.996 0.01 A 88 LEU HDy% H 1 0.867 0.01 A 88 LEU HG H 1 1.788 0.01 A 88 LEU C C 13 176.500 0.080 A 88 LEU CA C 13 53.680 0.200 A 88 LEU CB C 13 41.497 0.200 A 88 LEU CDy C 13 25.550 0.200 A 88 LEU CDx C 13 22.292 0.200 A 88 LEU CG C 13 27.158 0.200 A 88 LEU N N 15 125.520 0.200 A 89 PHE H H 1 7.803 0.01 A 89 PHE HA H 1 4.535 0.01 A 89 PHE HBy H 1 2.970 0.01 A 89 PHE HBx H 1 2.837 0.01 A 89 PHE HDx H 1 6.973 0.01 A 89 PHE HDy H 1 6.973 0.01 A 89 PHE HEx H 1 7.292 0.01 A 89 PHE HEy H 1 7.292 0.01 A 89 PHE HZ H 1 6.963 0.01 A 89 PHE CA C 13 58.250 0.200 A 89 PHE CB C 13 39.933 0.200 A 89 PHE CDx C 13 132.829 0.200 A 89 PHE CEx C 13 131.507 0.200 A 89 PHE CZ C 13 129.851 0.200 A 89 PHE N N 15 124.420 0.200 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 7 LYS HA A 65 LEU H 1.0 . 3.95 2 2 A 7 LYS HA A 8 PRO HDx 1.0 . 3.15 3 3 A 7 LYS HA A 6 GLU HBx 1.0 . 4.26 4 3 A 7 LYS HA A 6 GLU HBy 1.0 . 4.26 5 4 A 7 LYS HA A 7 LYS HGy 1.0 . 3.76 6 5 A 7 LYS HA A 6 GLU HA 1.0 . 5.04 7 6 A 7 LYS HA A 65 LEU HBx 1.0 . 5.33 8 7 A 7 LYS HA A 7 LYS HBx 1.0 . 3.01 9 7 A 7 LYS HA A 7 LYS HBy 1.0 . 3.01 10 8 A 7 LYS HA A 7 LYS HGx 1.0 . 4.18 11 9 A 39 GLU HA A 87 ASN HA 1.0 . 5.50 12 10 A 87 ASN HA A 88 LEU H 1.0 . 2.84 13 11 A 87 ASN HA A 86 TYR HE% 1.0 . 5.21 14 12 A 87 ASN HA A 88 LEU HG 1.0 . 4.42 15 13 A 87 ASN HA A 88 LEU HDy% 1.0 . 5.39 16 14 A 8 PRO HDy A 13 LEU HDx% 1.0 . 5.50 17 15 A 8 PRO HDx A 42 TYR HD% 1.0 . 5.24 18 16 A 65 LEU H A 8 PRO HDy 1.0 . 4.03 19 17 A 7 LYS HA A 8 PRO HDy 1.0 . 2.91 20 18 A 65 LEU HBx A 8 PRO HDy 1.0 . 4.08 21 19 A 8 PRO HDy A 65 LEU HDy% 1.0 . 5.11 22 20 A 8 PRO HDy A 13 LEU HDy% 1.0 . 5.36 23 21 A 8 PRO HDy A 7 LYS H 1.0 . 5.50 24 22 A 8 PRO HDy A 64 ASP HA 1.0 . 4.44 25 23 A 8 PRO HDx A 65 LEU HBx 1.0 . 3.73 26 24 A 67 THR HG2% A 69 PRO HDy 1.0 . 5.50 27 25 A 28 VAL HGy% A 81 PRO HDx 1.0 . 5.50 28 25 A 28 VAL HGy% A 81 PRO HDy 1.0 . 5.50 29 26 A 69 PRO HDy A 4 LYS H 1.0 . 5.44 30 27 A 69 PRO HDy A 68 PHE HD% 1.0 . 5.46 31 28 A 69 PRO HDy A 72 LEU HBx 1.0 . 5.50 32 29 A 69 PRO HDy A 3 VAL HGx% 1.0 . 5.50 33 30 A 68 PHE HA A 69 PRO HDx 1.0 . 3.28 34 31 A 72 LEU HBx A 69 PRO HDx 1.0 . 4.42 35 32 A 69 PRO HDx A 72 LEU HDy% 1.0 . 5.27 36 33 A 69 PRO HDx A 3 VAL HGy% 1.0 . 4.55 37 34 A 3 VAL HGx% A 69 PRO HDx 1.0 . 5.50 38 35 A 21 TRP H A 22 PRO HDy 1.0 . 5.50 39 36 A 22 PRO HDy A 21 TRP HBx 1.0 . 4.51 40 37 A 21 TRP HD1 A 22 PRO HDx 1.0 . 5.50 41 38 A 87 ASN HA A 22 PRO HDy 1.0 . 4.61 42 39 A 9 THR H A 10 PRO HDx 1.0 . 4.92 43 39 A 9 THR H A 10 PRO HDy 1.0 . 4.92 44 40 A 9 THR HG2% A 10 PRO HDx 1.0 . 4.13 45 40 A 10 PRO HDy A 9 THR HG2% 1.0 . 4.13 46 41 A 51 THR HG2% A 55 GLY HAx 1.0 . 4.28 47 42 A 55 GLY HAx A 54 ASP H 1.0 . 5.50 48 43 A 64 ASP HA A 65 LEU HBy 1.0 . 5.18 49 44 A 65 LEU HBy A 66 VAL H 1.0 . 5.10 50 45 A 42 TYR HD% A 65 LEU HBy 1.0 . 4.75 51 46 A 8 PRO HDy A 65 LEU HBy 1.0 . 4.41 52 47 A 8 PRO HDx A 65 LEU HBy 1.0 . 3.77 53 48 A 65 LEU HBy A 8 PRO HGx 1.0 . 3.98 54 49 A 65 LEU HBx A 42 TYR HD% 1.0 . 4.07 55 50 A 65 LEU HBx A 42 TYR HA 1.0 . 5.14 56 51 A 65 LEU HBx A 65 LEU HDx% 1.0 . 3.79 57 52 A 65 LEU HBx A 13 LEU HDy% 1.0 . 5.12 58 53 A 52 THR H A 55 GLY HAy 1.0 . 5.32 59 54 A 46 GLY HAx A 45 GLU HGx 1.0 . 5.28 60 54 A 45 GLU HGy A 46 GLY HAx 1.0 . 5.28 61 55 A 46 GLY HAx A 82 VAL HB 1.0 . 3.76 62 56 A 46 GLY HAx A 80 GLU HBx 1.0 . 4.05 63 57 A 46 GLY HAx A 80 GLU H 1.0 . 5.50 64 58 A 80 GLU H A 46 GLY HAy 1.0 . 5.37 65 59 A 46 GLY HAy A 48 VAL HGy% 1.0 . 5.50 66 60 A 46 GLY HAy A 43 ILE HG2% 1.0 . 5.50 67 61 A 46 GLY HAy A 47 LYS H 1.0 . 3.12 68 62 A 46 GLY HAy A 47 LYS HA 1.0 . 4.94 69 63 A 46 GLY HAy A 45 GLU HGx 1.0 . 5.02 70 63 A 45 GLU HGy A 46 GLY HAy 1.0 . 5.02 71 64 A 46 GLY HAy A 80 GLU HBy 1.0 . 3.60 72 65 A 80 GLU HBx A 46 GLY HAy 1.0 . 3.51 73 66 A 63 GLY HAx A 62 LYS HBx 1.0 . 5.03 74 66 A 62 LYS HBy A 63 GLY HAx 1.0 . 5.03 75 67 A 63 GLY HAx A 62 LYS HGx 1.0 . 5.50 76 68 A 62 LYS HGy A 63 GLY HAy 1.0 . 5.48 77 69 A 84 LYS HA A 44 LEU HBx 1.0 . 4.85 78 69 A 44 LEU HBy A 84 LYS HA 1.0 . 4.85 79 70 A 70 LYS HGy A 71 GLY HAx 1.0 . 4.84 80 71 A 71 GLY HAx A 70 LYS HGx 1.0 . 5.50 81 72 A 70 LYS HGx A 71 GLY HAy 1.0 . 5.28 82 73 A 43 ILE HG2% A 44 LEU HBx 1.0 . 5.50 83 73 A 43 ILE HG2% A 44 LEU HBy 1.0 . 5.50 84 74 A 44 LEU HBx A 45 GLU HGx 1.0 . 4.32 85 74 A 44 LEU HBy A 45 GLU HGx 1.0 . 4.32 86 74 A 45 GLU HGy A 44 LEU HBx 1.0 . 4.32 87 74 A 45 GLU HGy A 44 LEU HBy 1.0 . 4.32 88 75 A 44 LEU HDy% A 44 LEU HBx 1.0 . 3.62 89 75 A 44 LEU HBy A 44 LEU HDy% 1.0 . 3.62 90 76 A 71 GLY HAx A 34 TYR HE% 1.0 . 4.40 91 77 A 71 GLY HAy A 69 PRO HGy 1.0 . 5.27 92 78 A 70 LYS HGy A 71 GLY HAy 1.0 . 4.99 93 79 A 16 LEU HBy A 16 LEU HDx% 1.0 . 3.64 94 80 A 16 LEU HBy A 18 VAL HGx% 1.0 . 3.64 95 80 A 16 LEU HBy A 18 VAL HGy% 1.0 . 3.64 96 81 A 16 LEU HBy A 21 TRP HZ2 1.0 . 4.26 97 82 A 16 LEU HBy A 21 TRP HH2 1.0 . 5.16 98 83 A 16 LEU H A 16 LEU HBx 1.0 . 3.49 99 84 A 16 LEU HBx A 17 SER H 1.0 . 4.67 100 85 A 16 LEU HBx A 18 VAL H 1.0 . 4.52 101 86 A 21 TRP HH2 A 16 LEU HBx 1.0 . 4.99 102 87 A 16 LEU HBx A 13 LEU HA 1.0 . 4.17 103 88 A 16 LEU HDx% A 16 LEU HBx 1.0 . 3.65 104 89 A 16 LEU HBx A 18 VAL HGx% 1.0 . 3.68 105 89 A 18 VAL HGy% A 16 LEU HBx 1.0 . 3.68 106 90 A 41 CYS HA A 86 TYR HBy 1.0 . 4.92 107 91 A 86 TYR HBy A 41 CYS HBy 1.0 . 4.16 108 92 A 86 TYR HBy A 39 GLU HGy 1.0 . 4.39 109 93 A 86 TYR HBy A 39 GLU HGx 1.0 . 4.77 110 94 A 86 TYR HBy A 84 LYS HDx 1.0 . 4.97 111 95 A 84 LYS HDx A 86 TYR HBx 1.0 . 4.34 112 96 A 79 LEU H A 79 LEU HBy 1.0 . 3.95 113 97 A 80 GLU H A 79 LEU HBy 1.0 . 4.12 114 98 A 47 LYS HGx A 79 LEU HBx 1.0 . 4.49 115 99 A 79 LEU HBx A 80 GLU HGx 1.0 . 5.50 116 100 A 23 ILE HG2% A 83 ARG HDy 1.0 . 4.38 117 101 A 83 ARG HA A 83 ARG HDx 1.0 . 5.21 118 102 A 23 ILE HG2% A 83 ARG HDx 1.0 . 4.34 119 103 A 88 LEU HG A 86 TYR HBy 1.0 . 5.02 120 104 A 39 GLU HGx A 86 TYR HBx 1.0 . 4.85 121 105 A 79 LEU HBy A 79 LEU HDy% 1.0 . 3.32 122 106 A 73 ARG HA A 73 ARG HDx 1.0 . 5.48 123 106 A 73 ARG HA A 73 ARG HDy 1.0 . 5.48 124 107 A 73 ARG HBx A 73 ARG HDx 1.0 . 3.31 125 107 A 73 ARG HDy A 73 ARG HBx 1.0 . 3.31 126 108 A 34 TYR HA A 73 ARG HDx 1.0 . 5.50 127 108 A 73 ARG HDy A 34 TYR HA 1.0 . 5.50 128 109 A 73 ARG HBy A 73 ARG HDx 1.0 . 3.95 129 109 A 73 ARG HDy A 73 ARG HBy 1.0 . 3.95 130 110 A 75 ARG HBy A 75 ARG HDy 1.0 . 3.17 131 111 A 83 ARG HDy A 83 ARG HBy 1.0 . 3.19 132 112 A 65 LEU HDy% A 42 TYR HBy 1.0 . 5.50 133 113 A 32 ASP H A 32 ASP HBy 1.0 . 3.79 134 114 A 32 ASP HBy A 75 ARG HA 1.0 . 5.19 135 115 A 32 ASP HBx A 33 TRP H 1.0 . 4.22 136 116 A 42 TYR HBy A 18 VAL HGx% 1.0 . 3.81 137 116 A 18 VAL HGy% A 42 TYR HBy 1.0 . 3.81 138 117 A 42 TYR HBx A 43 ILE H 1.0 . 5.26 139 118 A 42 TYR HBx A 85 HIS HBx 1.0 . 3.85 140 119 A 44 LEU HDy% A 42 TYR HBx 1.0 . 5.50 141 120 A 65 LEU HDx% A 42 TYR HBx 1.0 . 4.12 142 121 A 13 LEU HDy% A 42 TYR HBx 1.0 . 5.35 143 122 A 42 TYR HBx A 18 VAL HGx% 1.0 . 3.93 144 122 A 18 VAL HGy% A 42 TYR HBx 1.0 . 3.93 145 123 A 69 PRO HDx A 72 LEU HBy 1.0 . 4.49 146 124 A 72 LEU HBy A 73 ARG H 1.0 . 5.33 147 125 A 72 LEU HBx A 73 ARG H 1.0 . 5.32 148 126 A 72 LEU HBx A 35 TYR HD% 1.0 . 4.63 149 127 A 72 LEU HBx A 72 LEU HDy% 1.0 . 3.99 150 128 A 72 LEU HBx A 72 LEU HDx% 1.0 . 3.99 151 129 A 20 LYS HGy A 20 LYS HEx 1.0 . 3.74 152 129 A 20 LYS HGy A 20 LYS HEy 1.0 . 3.74 153 130 A 7 LYS HA A 7 LYS HEx 1.0 . 5.50 154 130 A 7 LYS HA A 7 LYS HEy 1.0 . 5.50 155 131 A 26 LYS HEx A 27 GLU H 1.0 . 5.42 156 132 A 17 SER HBx A 20 LYS HEx 1.0 . 4.34 157 132 A 20 LYS HEy A 17 SER HBx 1.0 . 4.34 158 133 A 27 GLU H A 26 LYS HEy 1.0 . 5.50 159 134 A 26 LYS HEy A 31 PHE HD% 1.0 . 5.01 160 135 A 26 LYS HEy A 31 PHE HE% 1.0 . 4.96 161 136 A 26 LYS HEy A 26 LYS HA 1.0 . 4.74 162 137 A 26 LYS HEy A 26 LYS HGy 1.0 . 3.93 163 138 A 26 LYS HEy A 26 LYS HGx 1.0 . 3.68 164 139 A 26 LYS HEy A 26 LYS HBx 1.0 . 5.00 165 140 A 26 LYS HEx A 26 LYS HGy 1.0 . 3.96 166 141 A 26 LYS HEx A 26 LYS HGx 1.0 . 4.02 167 142 A 26 LYS HEx A 26 LYS HBx 1.0 . 5.27 168 143 A 62 LYS HGx A 62 LYS HEy 1.0 . 3.89 169 144 A 62 LYS HGy A 62 LYS HEx 1.0 . 4.00 170 145 A 70 LYS HGy A 70 LYS HEx 1.0 . 3.53 171 145 A 70 LYS HGy A 70 LYS HEy 1.0 . 3.53 172 146 A 70 LYS HGx A 70 LYS HEx 1.0 . 3.65 173 146 A 70 LYS HGx A 70 LYS HEy 1.0 . 3.65 174 147 A 14 LYS HDx A 14 LYS HEx 1.0 . 2.76 175 147 A 14 LYS HDx A 14 LYS HEy 1.0 . 2.76 176 148 A 77 LYS HGx A 77 LYS HEx 1.0 . 3.81 177 148 A 77 LYS HGx A 77 LYS HEy 1.0 . 3.81 178 149 A 59 VAL HGy% A 47 LYS HEx 1.0 . 3.40 179 149 A 47 LYS HEy A 59 VAL HGy% 1.0 . 3.40 180 150 A 26 LYS HEx A 31 PHE HZ 1.0 . 4.87 181 151 A 57 LYS HEx A 57 LYS HGy 1.0 . 3.14 182 151 A 57 LYS HEy A 57 LYS HGy 1.0 . 3.14 183 151 A 57 LYS HGx A 57 LYS HEx 1.0 . 3.14 184 151 A 57 LYS HGx A 57 LYS HEy 1.0 . 3.14 185 152 A 59 VAL HA A 47 LYS HEx 1.0 . 3.06 186 152 A 47 LYS HEy A 59 VAL HA 1.0 . 3.06 187 153 A 48 VAL H A 47 LYS HEx 1.0 . 5.30 188 153 A 47 LYS HEy A 48 VAL H 1.0 . 5.30 189 154 A 47 LYS HA A 47 LYS HEx 1.0 . 4.65 190 154 A 47 LYS HA A 47 LYS HEy 1.0 . 4.65 191 155 A 47 LYS HDx A 47 LYS HEx 1.0 . 2.99 192 155 A 47 LYS HDy A 47 LYS HEx 1.0 . 2.99 193 155 A 47 LYS HEy A 47 LYS HDx 1.0 . 2.99 194 155 A 47 LYS HEy A 47 LYS HDy 1.0 . 2.99 195 156 A 12 LYS HGy A 12 LYS HEx 1.0 . 3.42 196 156 A 12 LYS HGy A 12 LYS HEy 1.0 . 3.42 197 157 A 65 LEU H A 64 ASP HBy 1.0 . 4.48 198 158 A 64 ASP HBy A 5 ILE HG2% 1.0 . 3.56 199 159 A 61 GLU H A 64 ASP HBx 1.0 . 4.46 200 160 A 65 LEU H A 64 ASP HBx 1.0 . 3.73 201 161 A 5 ILE HG2% A 64 ASP HBx 1.0 . 3.33 202 162 A 59 VAL HA A 58 TYR HBy 1.0 . 5.50 203 163 A 58 TYR HBy A 60 ILE HG1y 1.0 . 5.34 204 164 A 58 TYR HBy A 50 VAL H 1.0 . 4.95 205 165 A 58 TYR HBy A 58 TYR H 1.0 . 3.99 206 166 A 58 TYR HBy A 50 VAL HB 1.0 . 3.96 207 167 A 58 TYR HBx A 60 ILE HG2% 1.0 . 5.17 208 168 A 58 TYR HBx A 5 ILE HD1% 1.0 . 4.09 209 169 A 60 ILE HG1y A 58 TYR HBx 1.0 . 5.39 210 170 A 86 TYR HE% A 88 LEU HBy 1.0 . 5.40 211 171 A 88 LEU H A 88 LEU HBy 1.0 . 3.74 212 172 A 88 LEU HBy A 88 LEU HDx% 1.0 . 3.49 213 173 A 88 LEU HBx A 89 PHE H 1.0 . 3.80 214 174 A 13 LEU HBy A 14 LYS HA 1.0 . 5.21 215 175 A 13 LEU HBy A 18 VAL HGx% 1.0 . 4.92 216 175 A 18 VAL HGy% A 13 LEU HBy 1.0 . 4.92 217 176 A 10 PRO HA A 13 LEU HBx 1.0 . 4.19 218 177 A 13 LEU HBx A 13 LEU H 1.0 . 3.70 219 178 A 13 LEU HBx A 18 VAL HGx% 1.0 . 4.15 220 178 A 18 VAL HGy% A 13 LEU HBx 1.0 . 4.15 221 179 A 14 LYS HA A 13 LEU HBx 1.0 . 5.22 222 180 A 36 ASP HBy A 37 THR HG2% 1.0 . 4.57 223 181 A 23 ILE HB A 23 ILE HD1% 1.0 . 3.72 224 182 A 23 ILE HB A 22 PRO HA 1.0 . 4.64 225 183 A 6 GLU HA A 5 ILE HB 1.0 . 4.75 226 184 A 36 ASP HBy A 34 TYR HD% 1.0 . 5.03 227 185 A 34 TYR HE% A 36 ASP HBy 1.0 . 4.59 228 186 A 34 TYR HD% A 36 ASP HBx 1.0 . 5.12 229 187 A 73 ARG HA A 34 TYR HBx 1.0 . 5.50 230 188 A 5 ILE HB A 6 GLU H 1.0 . 5.04 231 189 A 3 VAL HGx% A 5 ILE HB 1.0 . 5.50 232 190 A 60 ILE HB A 61 GLU HA 1.0 . 5.29 233 191 A 64 ASP HBx A 60 ILE HB 1.0 . 5.12 234 192 A 64 ASP HBy A 60 ILE HB 1.0 . 4.59 235 193 A 60 ILE HB A 50 VAL HGx% 1.0 . 5.50 236 194 A 34 TYR HBy A 35 TYR H 1.0 . 5.09 237 195 A 73 ARG HA A 34 TYR HBy 1.0 . 4.86 238 196 A 73 ARG HBx A 34 TYR HBy 1.0 . 4.69 239 197 A 34 TYR HBx A 35 TYR H 1.0 . 5.05 240 198 A 88 LEU H A 87 ASN HBy 1.0 . 5.06 241 199 A 40 THR HB A 87 ASN HBx 1.0 . 4.49 242 200 A 21 TRP HZ2 A 87 ASN HBx 1.0 . 5.03 243 201 A 21 TRP HZ2 A 87 ASN HBy 1.0 . 4.97 244 202 A 21 TRP HH2 A 87 ASN HBy 1.0 . 5.27 245 203 A 87 ASN HBy A 87 ASN HD2y 1.0 . 3.85 246 204 A 87 ASN HBy A 40 THR HB 1.0 . 3.80 247 205 A 87 ASN HBy A 40 THR H 1.0 . 4.65 248 206 A 72 LEU HDx% A 68 PHE HBy 1.0 . 5.37 249 207 A 68 PHE HBy A 67 THR HA 1.0 . 5.11 250 208 A 69 PRO HDx A 68 PHE HBy 1.0 . 5.36 251 209 A 68 PHE HBy A 39 GLU HBx 1.0 . 4.06 252 210 A 68 PHE H A 68 PHE HBx 1.0 . 4.09 253 211 A 68 PHE HBx A 39 GLU H 1.0 . 4.98 254 212 A 69 PRO HDx A 68 PHE HBx 1.0 . 4.57 255 213 A 38 ASN H A 38 ASN HBy 1.0 . 3.93 256 214 A 38 ASN HBy A 38 ASN HD2x 1.0 . 4.00 257 215 A 37 THR HB A 38 ASN HBx 1.0 . 5.09 258 216 A 38 ASN H A 38 ASN HBx 1.0 . 3.57 259 217 A 38 ASN HD2x A 38 ASN HBx 1.0 . 3.71 260 218 A 38 ASN HBx A 37 THR HA 1.0 . 5.08 261 219 A 11 GLU H A 11 GLU HGy 1.0 . 4.38 262 220 A 11 GLU HGy A 11 GLU HA 1.0 . 3.59 263 221 A 11 GLU HGy A 11 GLU HBy 1.0 . 2.96 264 222 A 11 GLU HGy A 12 LYS H 1.0 . 5.01 265 223 A 11 GLU H A 11 GLU HGx 1.0 . 4.28 266 224 A 12 LYS H A 11 GLU HGx 1.0 . 4.90 267 225 A 49 GLU HGx A 60 ILE H 1.0 . 5.50 268 226 A 27 GLU H A 26 LYS HBy 1.0 . 5.02 269 227 A 26 LYS HBy A 82 VAL H 1.0 . 4.98 270 228 A 26 LYS HBy A 26 LYS H 1.0 . 3.98 271 229 A 26 LYS HBy A 26 LYS HDy 1.0 . 3.86 272 230 A 41 CYS HBy A 39 GLU HGy 1.0 . 5.09 273 231 A 7 LYS H A 6 GLU HGy 1.0 . 4.65 274 232 A 6 GLU HA A 6 GLU HGy 1.0 . 3.64 275 233 A 49 GLU H A 49 GLU HGy 1.0 . 4.44 276 234 A 49 GLU HGy A 59 VAL HGx% 1.0 . 3.99 277 235 A 41 CYS HBy A 84 LYS HBy 1.0 . 5.50 278 236 A 84 LYS HBy A 41 CYS HBx 1.0 . 4.03 279 237 A 8 PRO HDx A 6 GLU HGx 1.0 . 4.98 280 238 A 6 GLU H A 6 GLU HGx 1.0 . 4.31 281 239 A 6 GLU HGx A 5 ILE HA 1.0 . 5.15 282 240 A 7 LYS H A 6 GLU HGx 1.0 . 5.09 283 241 A 6 GLU HA A 6 GLU HGx 1.0 . 3.93 284 242 A 50 VAL H A 49 GLU HGx 1.0 . 4.67 285 243 A 49 GLU HGx A 49 GLU H 1.0 . 4.83 286 244 A 59 VAL HA A 49 GLU HGx 1.0 . 4.32 287 245 A 49 GLU HGx A 59 VAL HGx% 1.0 . 3.95 288 246 A 84 LYS HDx A 84 LYS HBx 1.0 . 3.98 289 247 A 84 LYS HBx A 24 TRP HE3 1.0 . 5.31 290 248 A 41 CYS HBx A 84 LYS HBx 1.0 . 4.48 291 249 A 84 LYS HBx A 43 ILE HD1% 1.0 . 4.09 292 250 A 26 LYS HBy A 27 GLU HBx 1.0 . 5.25 293 251 A 39 GLU HGy A 86 TYR HD% 1.0 . 5.32 294 252 A 39 GLU HA A 39 GLU HGx 1.0 . 4.21 295 253 A 39 GLU HGx A 41 CYS H 1.0 . 5.50 296 254 A 39 GLU HGx A 87 ASN H 1.0 . 5.15 297 255 A 68 PHE HD% A 39 GLU HGx 1.0 . 5.50 298 256 A 60 ILE H A 48 VAL HB 1.0 . 4.50 299 257 A 48 VAL HB A 78 VAL HA 1.0 . 5.35 300 258 A 48 VAL H A 48 VAL HB 1.0 . 3.52 301 259 A 60 ILE HG1y A 48 VAL HB 1.0 . 3.62 302 260 A 60 ILE HG2% A 48 VAL HB 1.0 . 5.26 303 261 A 80 GLU H A 47 LYS HBy 1.0 . 4.51 304 262 A 47 LYS HBy A 47 LYS HEx 1.0 . 4.55 305 262 A 47 LYS HEy A 47 LYS HBy 1.0 . 4.55 306 263 A 47 LYS HBy A 79 LEU HG 1.0 . 5.18 307 264 A 47 LYS HA A 48 VAL HB 1.0 . 5.16 308 265 A 48 VAL H A 47 LYS HBx 1.0 . 4.81 309 266 A 80 GLU H A 47 LYS HBx 1.0 . 4.17 310 267 A 47 LYS HBx A 47 LYS HEx 1.0 . 4.89 311 267 A 47 LYS HEy A 47 LYS HBx 1.0 . 4.89 312 268 A 80 GLU HGx A 47 LYS HBx 1.0 . 4.01 313 269 A 47 LYS HBx A 47 LYS HGy 1.0 . 3.00 314 270 A 79 LEU H A 47 LYS HBx 1.0 . 5.50 315 271 A 26 LYS H A 25 GLU HGy 1.0 . 5.50 316 272 A 25 GLU HGy A 25 GLU HA 1.0 . 3.79 317 273 A 25 GLU HGy A 83 ARG HGy 1.0 . 4.81 318 274 A 26 LYS H A 25 GLU HGx 1.0 . 5.50 319 275 A 25 GLU HGx A 25 GLU H 1.0 . 4.70 320 276 A 25 GLU HA A 25 GLU HGx 1.0 . 3.77 321 277 A 83 ARG HDx A 25 GLU HGx 1.0 . 5.50 322 278 A 23 ILE HG2% A 25 GLU HGx 1.0 . 4.33 323 279 A 83 ARG HGy A 25 GLU HGx 1.0 . 4.55 324 280 A 35 TYR HBy A 71 GLY H 1.0 . 4.51 325 281 A 35 TYR HBx A 37 THR H 1.0 . 5.34 326 282 A 72 LEU HBy A 35 TYR HBx 1.0 . 4.35 327 283 A 16 LEU H A 15 GLU HGy 1.0 . 4.99 328 284 A 16 LEU H A 15 GLU HGx 1.0 . 4.46 329 285 A 19 GLU HGy A 19 GLU HBx 1.0 . 2.50 330 285 A 19 GLU HBy A 19 GLU HGy 1.0 . 2.50 331 286 A 19 GLU HGy A 18 VAL HGx% 1.0 . 5.36 332 286 A 18 VAL HGy% A 19 GLU HGy 1.0 . 5.36 333 287 A 19 GLU HGx A 20 LYS H 1.0 . 4.64 334 288 A 19 GLU HGx A 20 LYS HA 1.0 . 5.41 335 289 A 72 LEU HBx A 35 TYR HBx 1.0 . 5.27 336 290 A 53 GLU H A 53 GLU HGx 1.0 . 4.12 337 290 A 53 GLU H A 53 GLU HGy 1.0 . 4.12 338 291 A 15 GLU HGy A 15 GLU H 1.0 . 3.81 339 292 A 15 GLU HGy A 12 LYS HA 1.0 . 4.28 340 293 A 15 GLU HGy A 16 LEU HDy% 1.0 . 5.50 341 294 A 15 GLU HGx A 15 GLU H 1.0 . 3.84 342 295 A 15 GLU HGx A 12 LYS HA 1.0 . 4.12 343 296 A 15 GLU HGx A 15 GLU HA 1.0 . 3.64 344 297 A 19 GLU HGy A 19 GLU H 1.0 . 3.94 345 298 A 19 GLU HGy A 19 GLU HA 1.0 . 4.14 346 299 A 19 GLU HGx A 20 LYS HEx 1.0 . 5.50 347 299 A 20 LYS HEy A 19 GLU HGx 1.0 . 5.50 348 300 A 20 LYS HGy A 19 GLU HGx 1.0 . 4.89 349 301 A 19 GLU HGx A 18 VAL HGx% 1.0 . 5.24 350 301 A 18 VAL HGy% A 19 GLU HGx 1.0 . 5.24 351 302 A 80 GLU HA A 80 GLU HGy 1.0 . 3.55 352 303 A 80 GLU HGy A 81 PRO HDx 1.0 . 5.29 353 303 A 81 PRO HDy A 80 GLU HGy 1.0 . 5.29 354 304 A 46 GLY HAy A 80 GLU HGy 1.0 . 5.50 355 305 A 83 ARG HDy A 45 GLU HGx 1.0 . 5.14 356 305 A 45 GLU HGy A 83 ARG HDy 1.0 . 5.14 357 306 A 83 ARG HBx A 45 GLU HGx 1.0 . 3.62 358 306 A 45 GLU HGy A 83 ARG HBx 1.0 . 3.62 359 307 A 46 GLY H A 45 GLU HGx 1.0 . 3.94 360 307 A 45 GLU HGy A 46 GLY H 1.0 . 3.94 361 308 A 83 ARG H A 45 GLU HGx 1.0 . 4.34 362 308 A 45 GLU HGy A 83 ARG H 1.0 . 4.34 363 309 A 83 ARG HDx A 45 GLU HGx 1.0 . 4.35 364 309 A 45 GLU HGy A 83 ARG HDx 1.0 . 4.35 365 310 A 80 GLU HGx A 81 PRO HDx 1.0 . 5.37 366 310 A 81 PRO HDy A 80 GLU HGx 1.0 . 5.37 367 311 A 80 GLU HGx A 80 GLU HA 1.0 . 3.76 368 312 A 47 LYS HBx A 80 GLU HGy 1.0 . 4.42 369 313 A 44 LEU HDx% A 45 GLU HGx 1.0 . 5.39 370 313 A 45 GLU HGy A 44 LEU HDx% 1.0 . 5.39 371 314 A 82 VAL HB A 46 GLY HAy 1.0 . 4.77 372 315 A 82 VAL HB A 47 LYS H 1.0 . 4.32 373 316 A 82 VAL HB A 82 VAL H 1.0 . 3.26 374 317 A 82 VAL HB A 81 PRO HA 1.0 . 4.92 375 318 A 82 VAL HB A 78 VAL HGx% 1.0 . 3.76 376 319 A 58 TYR H A 57 LYS HBy 1.0 . 4.28 377 320 A 57 LYS HBy A 56 LYS HA 1.0 . 4.65 378 321 A 57 LYS HBy A 57 LYS HEx 1.0 . 4.29 379 321 A 57 LYS HEy A 57 LYS HBy 1.0 . 4.29 380 322 A 57 LYS HBy A 57 LYS HGy 1.0 . 2.97 381 322 A 57 LYS HGx A 57 LYS HBy 1.0 . 2.97 382 323 A 57 LYS H A 57 LYS HBx 1.0 . 3.53 383 324 A 27 GLU HGy A 28 VAL H 1.0 . 4.50 384 325 A 27 GLU HGy A 29 SER HBy 1.0 . 4.72 385 326 A 27 GLU HA A 27 GLU HGx 1.0 . 4.24 386 327 A 28 VAL H A 27 GLU HGx 1.0 . 4.84 387 328 A 59 VAL HGy% A 61 GLU HGy 1.0 . 5.41 388 329 A 61 GLU H A 61 GLU HGx 1.0 . 4.17 389 330 A 24 TRP HBx A 84 LYS HDy 1.0 . 4.20 390 331 A 61 GLU HGy A 62 LYS H 1.0 . 4.46 391 332 A 61 GLU HA A 61 GLU HGy 1.0 . 4.14 392 333 A 61 GLU HGx A 62 LYS H 1.0 . 4.31 393 334 A 61 GLU HA A 61 GLU HGx 1.0 . 3.98 394 335 A 67 THR HG2% A 4 LYS HBy 1.0 . 5.50 395 336 A 4 LYS HBy A 3 VAL HA 1.0 . 5.19 396 337 A 79 LEU HDy% A 77 LYS HBx 1.0 . 5.38 397 338 A 22 PRO HBx A 24 TRP HBy 1.0 . 4.71 398 339 A 84 LYS HDx A 24 TRP HBy 1.0 . 4.83 399 340 A 24 TRP HBx A 84 LYS H 1.0 . 5.12 400 341 A 25 GLU H A 24 TRP HBx 1.0 . 5.21 401 342 A 86 TYR HE% A 24 TRP HBx 1.0 . 4.75 402 343 A 84 LYS HDx A 24 TRP HBx 1.0 . 4.17 403 344 A 42 TYR HA A 43 ILE HB 1.0 . 4.94 404 345 A 64 ASP HBy A 43 ILE HB 1.0 . 4.24 405 346 A 62 LYS H A 61 GLU HBy 1.0 . 3.48 406 346 A 62 LYS H A 61 GLU HBx 1.0 . 3.48 407 347 A 47 LYS HGy A 61 GLU HBy 1.0 . 4.72 408 347 A 47 LYS HGy A 61 GLU HBx 1.0 . 4.72 409 348 A 4 LYS H A 4 LYS HBy 1.0 . 3.57 410 349 A 4 LYS HBy A 67 THR HB 1.0 . 3.26 411 350 A 4 LYS HBx A 5 ILE H 1.0 . 4.53 412 351 A 49 GLU H A 77 LYS HBx 1.0 . 4.63 413 352 A 77 LYS HBx A 30 GLU HA 1.0 . 5.08 414 353 A 41 CYS H A 66 VAL HB 1.0 . 4.30 415 354 A 33 TRP H A 33 TRP HBy 1.0 . 3.98 416 355 A 31 PHE HE% A 33 TRP HBx 1.0 . 4.74 417 356 A 33 TRP HBx A 76 TRP HD1 1.0 . 4.90 418 357 A 33 TRP HBx A 34 TYR H 1.0 . 5.39 419 358 A 33 TRP HBx A 35 TYR HE% 1.0 . 5.32 420 359 A 83 ARG H A 45 GLU HBy 1.0 . 5.10 421 360 A 46 GLY HAx A 45 GLU HBy 1.0 . 5.18 422 361 A 45 GLU HBy A 82 VAL HA 1.0 . 5.38 423 362 A 35 TYR HD% A 39 GLU HBy 1.0 . 5.11 424 363 A 35 TYR HE% A 39 GLU HBy 1.0 . 5.13 425 364 A 88 LEU HDy% A 39 GLU HBy 1.0 . 3.98 426 365 A 6 GLU HA A 6 GLU HBx 1.0 . 2.97 427 365 A 6 GLU HBy A 6 GLU HA 1.0 . 2.97 428 366 A 8 PRO HDx A 6 GLU HBx 1.0 . 4.59 429 366 A 8 PRO HDx A 6 GLU HBy 1.0 . 4.59 430 367 A 66 VAL H A 66 VAL HB 1.0 . 3.31 431 368 A 88 LEU HDy% A 39 GLU HBx 1.0 . 4.57 432 369 A 46 GLY H A 45 GLU HBx 1.0 . 4.00 433 370 A 45 GLU HBx A 45 GLU HGx 1.0 . 2.88 434 370 A 45 GLU HGy A 45 GLU HBx 1.0 . 2.88 435 371 A 45 GLU HBx A 44 LEU HBx 1.0 . 3.92 436 371 A 44 LEU HBy A 45 GLU HBx 1.0 . 3.92 437 372 A 50 VAL HB A 58 TYR HBx 1.0 . 3.36 438 373 A 83 ARG HBy A 83 ARG H 1.0 . 4.00 439 374 A 83 ARG HBy A 45 GLU H 1.0 . 4.86 440 375 A 83 ARG HBy A 45 GLU HGx 1.0 . 4.82 441 375 A 45 GLU HGy A 83 ARG HBy 1.0 . 4.82 442 376 A 83 ARG HBy A 84 LYS H 1.0 . 5.01 443 377 A 83 ARG HDx A 83 ARG HBy 1.0 . 4.16 444 378 A 83 ARG HDy A 83 ARG HBx 1.0 . 4.15 445 379 A 83 ARG HDx A 83 ARG HBx 1.0 . 4.14 446 380 A 83 ARG HBx A 45 GLU H 1.0 . 4.64 447 381 A 83 ARG HBx A 44 LEU HDx% 1.0 . 4.21 448 382 A 26 LYS H A 25 GLU HBy 1.0 . 4.15 449 383 A 25 GLU H A 25 GLU HBy 1.0 . 4.12 450 384 A 25 GLU HGx A 25 GLU HBx 1.0 . 2.82 451 385 A 75 ARG HBy A 51 THR HB 1.0 . 3.85 452 386 A 75 ARG HBy A 76 TRP H 1.0 . 4.72 453 387 A 75 ARG HBy A 32 ASP HA 1.0 . 4.84 454 388 A 51 THR HB A 75 ARG HBx 1.0 . 4.08 455 389 A 75 ARG HDy A 75 ARG HBx 1.0 . 3.64 456 390 A 75 ARG HBx A 75 ARG H 1.0 . 3.56 457 391 A 45 GLU H A 62 LYS HBx 1.0 . 5.19 458 391 A 62 LYS HBy A 45 GLU H 1.0 . 5.19 459 392 A 42 TYR H A 85 HIS HBy 1.0 . 5.06 460 393 A 21 TRP H A 85 HIS HBy 1.0 . 5.12 461 394 A 43 ILE HG2% A 62 LYS HBx 1.0 . 4.68 462 394 A 43 ILE HG2% A 62 LYS HBy 1.0 . 4.68 463 395 A 85 HIS HBy A 85 HIS H 1.0 . 4.03 464 396 A 21 TRP HBx A 85 HIS HBy 1.0 . 3.46 465 397 A 42 TYR HBx A 85 HIS HBy 1.0 . 4.35 466 398 A 85 HIS HBy A 18 VAL HB 1.0 . 4.77 467 399 A 85 HIS HBy A 18 VAL HGx% 1.0 . 4.22 468 399 A 18 VAL HGy% A 85 HIS HBy 1.0 . 4.22 469 400 A 85 HIS HBx A 86 TYR H 1.0 . 4.72 470 401 A 21 TRP HBx A 85 HIS HBx 1.0 . 4.55 471 402 A 85 HIS HBx A 18 VAL HGx% 1.0 . 4.08 472 402 A 18 VAL HGy% A 85 HIS HBx 1.0 . 4.08 473 403 A 42 TYR HBy A 85 HIS HBx 1.0 . 4.36 474 404 A 57 LYS H A 56 LYS HBy 1.0 . 4.43 475 405 A 56 LYS HBy A 58 TYR HD% 1.0 . 5.50 476 406 A 52 THR H A 56 LYS HBx 1.0 . 5.26 477 407 A 38 ASN HD2y A 70 LYS HBy 1.0 . 5.49 478 408 A 37 THR HA A 70 LYS HBy 1.0 . 4.68 479 409 A 70 LYS HBy A 69 PRO HA 1.0 . 5.26 480 410 A 71 GLY H A 70 LYS HBx 1.0 . 5.36 481 411 A 41 CYS HBy A 86 TYR HA 1.0 . 4.06 482 412 A 41 CYS HBy A 86 TYR HBx 1.0 . 4.06 483 413 A 41 CYS HBy A 42 TYR H 1.0 . 4.00 484 414 A 41 CYS HBy A 84 LYS HGx 1.0 . 4.65 485 414 A 41 CYS HBy A 84 LYS HGy 1.0 . 4.65 486 415 A 41 CYS HBy A 39 GLU HGx 1.0 . 4.51 487 416 A 41 CYS HBy A 84 LYS HDx 1.0 . 4.71 488 417 A 41 CYS HBy A 43 ILE HD1% 1.0 . 5.50 489 418 A 41 CYS HBx A 84 LYS HGx 1.0 . 3.86 490 418 A 41 CYS HBx A 84 LYS HGy 1.0 . 3.86 491 419 A 84 LYS HDx A 41 CYS HBx 1.0 . 4.39 492 420 A 50 VAL H A 49 GLU HBx 1.0 . 4.58 493 421 A 56 LYS HBy A 58 TYR HE% 1.0 . 3.98 494 422 A 20 LYS HBx A 20 LYS HDx 1.0 . 3.72 495 422 A 20 LYS HBx A 20 LYS HDy 1.0 . 3.72 496 423 A 57 LYS H A 56 LYS HBx 1.0 . 3.82 497 424 A 56 LYS HBx A 56 LYS H 1.0 . 3.83 498 425 A 56 LYS HBx A 58 TYR HE% 1.0 . 4.05 499 426 A 70 LYS HBy A 70 LYS HDx 1.0 . 3.56 500 427 A 70 LYS HBy A 70 LYS HEx 1.0 . 4.97 501 427 A 70 LYS HEy A 70 LYS HBy 1.0 . 4.97 502 428 A 38 ASN HD2y A 70 LYS HBx 1.0 . 5.04 503 429 A 70 LYS HBx A 70 LYS HEx 1.0 . 5.26 504 429 A 70 LYS HEy A 70 LYS HBx 1.0 . 5.26 505 430 A 70 LYS HBx A 70 LYS HDy 1.0 . 3.76 506 431 A 53 GLU H A 74 CYS HBx 1.0 . 5.10 507 432 A 49 GLU H A 49 GLU HBy 1.0 . 3.64 508 433 A 50 VAL H A 49 GLU HBy 1.0 . 4.75 509 434 A 59 VAL HB A 47 LYS HEx 1.0 . 4.99 510 434 A 47 LYS HEy A 59 VAL HB 1.0 . 4.99 511 435 A 53 GLU H A 74 CYS HBy 1.0 . 4.93 512 436 A 74 CYS HBy A 52 THR HB 1.0 . 4.78 513 437 A 74 CYS HBy A 52 THR HG2% 1.0 . 3.84 514 438 A 75 ARG H A 74 CYS HBy 1.0 . 3.68 515 439 A 74 CYS HBy A 52 THR HA 1.0 . 3.46 516 440 A 74 CYS HBy A 50 VAL HGy% 1.0 . 3.98 517 441 A 74 CYS HBx A 52 THR HB 1.0 . 4.87 518 442 A 74 CYS HBx A 52 THR HA 1.0 . 3.61 519 443 A 75 ARG HBy A 74 CYS HBx 1.0 . 4.30 520 444 A 74 CYS HBx A 52 THR HG2% 1.0 . 4.27 521 445 A 50 VAL HGx% A 74 CYS HBx 1.0 . 5.50 522 446 A 79 LEU H A 78 VAL HB 1.0 . 5.16 523 447 A 80 GLU H A 78 VAL HB 1.0 . 5.05 524 448 A 22 PRO HBy A 23 ILE H 1.0 . 3.92 525 449 A 20 LYS H A 20 LYS HBy 1.0 . 3.71 526 450 A 17 SER HBx A 20 LYS HBy 1.0 . 4.49 527 451 A 20 LYS HBy A 20 LYS HEx 1.0 . 5.19 528 451 A 20 LYS HEy A 20 LYS HBy 1.0 . 5.19 529 452 A 49 GLU HBy A 77 LYS H 1.0 . 4.74 530 453 A 49 GLU HBx A 77 LYS H 1.0 . 4.83 531 454 A 86 TYR HE% A 22 PRO HBx 1.0 . 3.84 532 455 A 2 GLU HBx A 3 VAL H 1.0 . 4.22 533 456 A 28 VAL H A 81 PRO HBy 1.0 . 4.95 534 457 A 2 GLU HBy A 2 GLU HGx 1.0 . 2.51 535 457 A 2 GLU HBy A 2 GLU HGy 1.0 . 2.51 536 458 A 65 LEU HDy% A 8 PRO HBy 1.0 . 4.18 537 459 A 9 THR H A 8 PRO HBy 1.0 . 4.21 538 460 A 13 LEU H A 8 PRO HBy 1.0 . 4.73 539 461 A 13 LEU HDy% A 8 PRO HBy 1.0 . 4.47 540 462 A 73 ARG HBy A 34 TYR HD% 1.0 . 4.33 541 463 A 34 TYR HE% A 73 ARG HBy 1.0 . 5.50 542 464 A 13 LEU HDx% A 8 PRO HBx 1.0 . 4.73 543 465 A 82 VAL H A 81 PRO HBx 1.0 . 4.44 544 466 A 73 ARG HBx A 74 CYS H 1.0 . 5.01 545 467 A 2 GLU HBx A 2 GLU HGx 1.0 . 2.65 546 467 A 2 GLU HBx A 2 GLU HGy 1.0 . 2.65 547 468 A 68 PHE HD% A 3 VAL HB 1.0 . 5.50 548 469 A 47 LYS H A 80 GLU HBy 1.0 . 3.98 549 470 A 80 GLU HBy A 81 PRO HDx 1.0 . 3.83 550 470 A 81 PRO HDy A 80 GLU HBy 1.0 . 3.83 551 471 A 68 PHE HA A 69 PRO HBx 1.0 . 4.65 552 471 A 68 PHE HA A 69 PRO HBy 1.0 . 4.65 553 472 A 65 LEU HBx A 8 PRO HBy 1.0 . 4.90 554 473 A 15 GLU H A 14 LYS HBy 1.0 . 4.21 555 474 A 14 LYS HBy A 14 LYS HEx 1.0 . 4.92 556 474 A 14 LYS HEy A 14 LYS HBy 1.0 . 4.92 557 475 A 80 GLU HBx A 80 GLU H 1.0 . 3.71 558 476 A 80 GLU HBx A 81 PRO HDx 1.0 . 4.37 559 476 A 81 PRO HDy A 80 GLU HBx 1.0 . 4.37 560 477 A 4 LYS H A 3 VAL HB 1.0 . 4.91 561 478 A 58 TYR HE% A 3 VAL HB 1.0 . 4.49 562 479 A 7 LYS HDx A 7 LYS HBx 1.0 . 3.25 563 479 A 7 LYS HBy A 7 LYS HDx 1.0 . 3.25 564 480 A 11 GLU H A 10 PRO HBy 1.0 . 4.35 565 481 A 13 LEU HDx% A 10 PRO HBy 1.0 . 5.05 566 482 A 27 GLU HA A 28 VAL HB 1.0 . 4.69 567 483 A 12 LYS HBy A 12 LYS HEx 1.0 . 4.73 568 483 A 12 LYS HEy A 12 LYS HBy 1.0 . 4.73 569 484 A 12 LYS H A 12 LYS HBx 1.0 . 3.07 570 485 A 12 LYS HA A 12 LYS HBx 1.0 . 2.92 571 486 A 12 LYS HBx A 12 LYS HEx 1.0 . 4.78 572 486 A 12 LYS HEy A 12 LYS HBx 1.0 . 4.78 573 487 A 42 TYR HBx A 18 VAL HB 1.0 . 5.09 574 488 A 85 HIS HBx A 18 VAL HB 1.0 . 5.17 575 489 A 77 LYS H A 76 TRP HBy 1.0 . 4.16 576 490 A 76 TRP H A 76 TRP HBx 1.0 . 3.45 577 491 A 76 TRP HBx A 76 TRP HE3 1.0 . 4.17 578 492 A 76 TRP HBx A 48 VAL HGx% 1.0 . 4.89 579 493 A 31 PHE HE% A 76 TRP HBx 1.0 . 4.67 580 494 A 62 LYS H A 62 LYS HDy 1.0 . 5.50 581 495 A 45 GLU HA A 62 LYS HDx 1.0 . 4.06 582 496 A 62 LYS HDx A 62 LYS HA 1.0 . 5.42 583 497 A 77 LYS HBy A 77 LYS HDy 1.0 . 3.76 584 498 A 79 LEU HDy% A 77 LYS HDy 1.0 . 4.20 585 499 A 46 GLY H A 62 LYS HDy 1.0 . 5.10 586 500 A 62 LYS HDy A 45 GLU HA 1.0 . 3.89 587 501 A 62 LYS HDy A 62 LYS HA 1.0 . 5.25 588 502 A 45 GLU HBy A 62 LYS HDy 1.0 . 4.19 589 503 A 46 GLY H A 62 LYS HDx 1.0 . 5.06 590 504 A 62 LYS H A 62 LYS HDx 1.0 . 5.50 591 505 A 70 LYS HDy A 70 LYS H 1.0 . 5.40 592 506 A 37 THR HG2% A 70 LYS HDy 1.0 . 4.01 593 507 A 37 THR HA A 70 LYS HDx 1.0 . 4.03 594 508 A 38 ASN H A 70 LYS HDx 1.0 . 5.50 595 509 A 54 ASP H A 53 GLU HBy 1.0 . 4.84 596 510 A 52 THR HA A 53 GLU HBy 1.0 . 5.20 597 511 A 53 GLU HBy A 53 GLU HGx 1.0 . 2.59 598 511 A 53 GLU HGy A 53 GLU HBy 1.0 . 2.59 599 512 A 26 LYS HDy A 27 GLU HBy 1.0 . 5.17 600 513 A 12 LYS HA A 15 GLU HBy 1.0 . 3.33 601 514 A 53 GLU H A 53 GLU HBx 1.0 . 3.52 602 515 A 53 GLU HBx A 53 GLU HGx 1.0 . 2.47 603 515 A 53 GLU HGy A 53 GLU HBx 1.0 . 2.47 604 516 A 27 GLU HBx A 28 VAL H 1.0 . 3.54 605 517 A 27 GLU HBx A 28 VAL HGx% 1.0 . 4.85 606 518 A 26 LYS HDy A 27 GLU HBx 1.0 . 5.21 607 519 A 70 LYS HDx A 70 LYS H 1.0 . 5.46 608 520 A 57 LYS H A 57 LYS HDy 1.0 . 5.13 609 521 A 57 LYS H A 57 LYS HDx 1.0 . 5.50 610 522 A 57 LYS HDx A 57 LYS HGy 1.0 . 2.91 611 522 A 57 LYS HGx A 57 LYS HDx 1.0 . 2.91 612 523 A 57 LYS HDx A 51 THR HA 1.0 . 5.20 613 524 A 57 LYS HDx A 57 LYS HA 1.0 . 5.24 614 525 A 7 LYS HA A 7 LYS HDy 1.0 . 4.10 615 526 A 7 LYS HDy A 7 LYS HBx 1.0 . 2.40 616 526 A 7 LYS HBy A 7 LYS HDy 1.0 . 2.40 617 527 A 58 TYR HE% A 56 LYS HDx 1.0 . 4.17 618 527 A 58 TYR HE% A 56 LYS HDy 1.0 . 4.17 619 528 A 20 LYS HBy A 20 LYS HDx 1.0 . 3.69 620 528 A 20 LYS HDy A 20 LYS HBy 1.0 . 3.69 621 529 A 6 GLU HA A 7 LYS HDy 1.0 . 3.97 622 530 A 20 LYS HA A 20 LYS HDx 1.0 . 4.32 623 530 A 20 LYS HA A 20 LYS HDy 1.0 . 4.32 624 531 A 83 ARG HGy A 25 GLU HBx 1.0 . 2.40 625 532 A 73 ARG HA A 73 ARG HGy 1.0 . 4.11 626 533 A 14 LYS HDx A 14 LYS H 1.0 . 4.64 627 534 A 25 GLU HGx A 83 ARG HGx 1.0 . 4.45 628 535 A 12 LYS H A 11 GLU HBx 1.0 . 3.89 629 536 A 11 GLU HGx A 11 GLU HBx 1.0 . 2.89 630 537 A 83 ARG HGy A 84 LYS H 1.0 . 5.19 631 538 A 84 LYS H A 83 ARG HGx 1.0 . 5.11 632 539 A 23 ILE HG2% A 83 ARG HGx 1.0 . 4.14 633 540 A 5 ILE HG1x A 66 VAL HA 1.0 . 5.01 634 541 A 23 ILE HG1y A 24 TRP H 1.0 . 4.99 635 542 A 23 ILE H A 23 ILE HG1y 1.0 . 3.77 636 543 A 23 ILE HG1y A 23 ILE HA 1.0 . 3.95 637 544 A 23 ILE HG2% A 23 ILE HG1y 1.0 . 3.57 638 545 A 58 TYR HD% A 5 ILE HG1y 1.0 . 5.44 639 546 A 23 ILE HG1x A 85 HIS HE1 1.0 . 4.84 640 547 A 23 ILE HG2% A 23 ILE HG1x 1.0 . 3.65 641 548 A 11 GLU H A 10 PRO HGy 1.0 . 4.47 642 549 A 19 GLU HGx A 19 GLU HBx 1.0 . 2.45 643 549 A 19 GLU HBy A 19 GLU HGx 1.0 . 2.45 644 550 A 18 VAL HGy% A 19 GLU HBx 1.0 . 4.80 645 550 A 18 VAL HGx% A 19 GLU HBx 1.0 . 4.80 646 550 A 19 GLU HBy A 18 VAL HGx% 1.0 . 4.80 647 550 A 18 VAL HGy% A 19 GLU HBy 1.0 . 4.80 648 551 A 20 LYS H A 19 GLU HBx 1.0 . 4.46 649 551 A 19 GLU HBy A 20 LYS H 1.0 . 4.46 650 552 A 20 LYS HA A 19 GLU HBx 1.0 . 5.38 651 552 A 19 GLU HBy A 20 LYS HA 1.0 . 5.38 652 553 A 31 PHE HE% A 26 LYS HGx 1.0 . 4.98 653 554 A 7 LYS HA A 8 PRO HGy 1.0 . 4.98 654 555 A 65 LEU H A 8 PRO HGy 1.0 . 5.50 655 556 A 8 PRO HGy A 13 LEU HG 1.0 . 5.21 656 557 A 65 LEU HBx A 8 PRO HGy 1.0 . 4.16 657 558 A 13 LEU HDx% A 8 PRO HGy 1.0 . 4.45 658 559 A 13 LEU HDy% A 8 PRO HGy 1.0 . 4.17 659 560 A 82 VAL H A 81 PRO HGx 1.0 . 5.46 660 561 A 65 LEU HDx% A 8 PRO HGy 1.0 . 3.99 661 562 A 65 LEU H A 8 PRO HGx 1.0 . 5.23 662 563 A 42 TYR HD% A 8 PRO HGx 1.0 . 4.54 663 564 A 7 LYS HA A 8 PRO HGx 1.0 . 4.97 664 565 A 65 LEU HBx A 8 PRO HGx 1.0 . 3.58 665 566 A 27 GLU H A 26 LYS HGx 1.0 . 4.60 666 567 A 26 LYS HA A 26 LYS HGx 1.0 . 3.75 667 568 A 26 LYS HGx A 24 TRP HH2 1.0 . 5.40 668 569 A 72 LEU HDx% A 35 TYR HE% 1.0 . 4.59 669 570 A 68 PHE HA A 72 LEU HDx% 1.0 . 4.56 670 571 A 72 LEU HDx% A 72 LEU HA 1.0 . 4.81 671 572 A 69 PRO HDy A 72 LEU HDx% 1.0 . 4.67 672 573 A 69 PRO HDx A 72 LEU HDx% 1.0 . 3.75 673 574 A 72 LEU HDx% A 74 CYS HBy 1.0 . 4.24 674 575 A 72 LEU HDx% A 74 CYS HBx 1.0 . 4.95 675 576 A 72 LEU HBy A 72 LEU HDx% 1.0 . 3.57 676 577 A 72 LEU HDx% A 69 PRO HGx 1.0 . 4.99 677 578 A 72 LEU HDx% A 68 PHE HBx 1.0 . 3.88 678 579 A 3 VAL HGx% A 72 LEU HDx% 1.0 . 5.20 679 580 A 76 TRP H A 75 ARG HGx 1.0 . 4.30 680 581 A 32 ASP HA A 75 ARG HGx 1.0 . 4.88 681 582 A 75 ARG HA A 75 ARG HGx 1.0 . 4.12 682 583 A 75 ARG H A 75 ARG HGx 1.0 . 5.47 683 584 A 69 PRO HGy A 72 LEU HDx% 1.0 . 5.24 684 585 A 69 PRO HGy A 72 LEU H 1.0 . 5.44 685 586 A 85 HIS H A 44 LEU HG 1.0 . 4.92 686 587 A 44 LEU HG A 44 LEU H 1.0 . 3.65 687 588 A 84 LYS HA A 44 LEU HG 1.0 . 4.40 688 589 A 72 LEU HA A 72 LEU HG 1.0 . 4.16 689 590 A 74 CYS HBy A 72 LEU HG 1.0 . 4.35 690 591 A 74 CYS HBx A 72 LEU HG 1.0 . 5.26 691 592 A 72 LEU H A 72 LEU HG 1.0 . 5.11 692 593 A 65 LEU H A 65 LEU HG 1.0 . 4.93 693 594 A 68 PHE HA A 69 PRO HGy 1.0 . 5.50 694 595 A 72 LEU HBx A 69 PRO HGy 1.0 . 4.14 695 596 A 72 LEU HDy% A 69 PRO HGy 1.0 . 5.47 696 597 A 72 LEU HBx A 69 PRO HGx 1.0 . 4.57 697 598 A 86 TYR HD% A 22 PRO HGx 1.0 . 5.46 698 599 A 60 ILE HG1y A 60 ILE HA 1.0 . 3.94 699 600 A 48 VAL H A 60 ILE HG1y 1.0 . 4.63 700 601 A 60 ILE HG1y A 60 ILE H 1.0 . 3.89 701 602 A 59 VAL HA A 60 ILE HG1y 1.0 . 5.23 702 603 A 48 VAL H A 60 ILE HG1x 1.0 . 4.94 703 604 A 59 VAL HA A 60 ILE HG1x 1.0 . 5.15 704 605 A 60 ILE HA A 60 ILE HG1x 1.0 . 4.17 705 606 A 48 VAL HB A 60 ILE HG1x 1.0 . 3.40 706 607 A 50 VAL HGx% A 60 ILE HG1x 1.0 . 4.76 707 608 A 65 LEU HDy% A 66 VAL H 1.0 . 5.28 708 609 A 65 LEU HDy% A 21 TRP HH2 1.0 . 5.50 709 610 A 65 LEU HDy% A 65 LEU HA 1.0 . 4.69 710 611 A 8 PRO HDx A 65 LEU HDy% 1.0 . 4.83 711 612 A 65 LEU HDy% A 65 LEU HBy 1.0 . 3.21 712 613 A 65 LEU HDy% A 8 PRO HGy 1.0 . 3.42 713 614 A 65 LEU HDy% A 8 PRO HGx 1.0 . 3.84 714 615 A 65 LEU HBx A 65 LEU HDy% 1.0 . 3.27 715 616 A 65 LEU HDy% A 13 LEU HDy% 1.0 . 4.61 716 617 A 65 LEU HDy% A 13 LEU HA 1.0 . 5.50 717 618 A 10 PRO HA A 13 LEU HG 1.0 . 4.27 718 619 A 13 LEU HG A 18 VAL HGx% 1.0 . 5.12 719 619 A 18 VAL HGy% A 13 LEU HG 1.0 . 5.12 720 620 A 8 PRO HGx A 13 LEU HG 1.0 . 3.53 721 621 A 16 LEU HDx% A 16 LEU H 1.0 . 4.28 722 622 A 43 ILE HG1y A 66 VAL HGy% 1.0 . 4.96 723 623 A 43 ILE HG1y A 60 ILE HD1% 1.0 . 5.50 724 624 A 60 ILE HD1% A 43 ILE HG1x 1.0 . 5.23 725 625 A 16 LEU HDx% A 16 LEU HA 1.0 . 4.31 726 626 A 16 LEU HDx% A 13 LEU HA 1.0 . 3.95 727 627 A 16 LEU HDx% A 12 LYS HEx 1.0 . 4.11 728 627 A 16 LEU HDx% A 12 LYS HEy 1.0 . 4.11 729 628 A 16 LEU HDx% A 12 LYS HGx 1.0 . 3.66 730 629 A 16 LEU HDx% A 18 VAL HGx% 1.0 . 3.98 731 629 A 16 LEU HDx% A 18 VAL HGy% 1.0 . 3.98 732 630 A 84 LYS HDy A 24 TRP H 1.0 . 5.06 733 631 A 64 ASP HBy A 43 ILE HG1y 1.0 . 4.42 734 632 A 84 LYS HDx A 84 LYS H 1.0 . 4.59 735 633 A 77 LYS HGy A 78 VAL H 1.0 . 4.95 736 634 A 84 LYS HDx A 86 TYR HD% 1.0 . 4.91 737 635 A 77 LYS HGy A 77 LYS HA 1.0 . 3.75 738 636 A 43 ILE HG1x A 63 GLY H 1.0 . 5.23 739 637 A 77 LYS HGx A 77 LYS HA 1.0 . 4.12 740 638 A 64 ASP HBy A 43 ILE HG1x 1.0 . 4.57 741 639 A 79 LEU HG A 78 VAL H 1.0 . 5.13 742 640 A 79 LEU HG A 48 VAL HA 1.0 . 4.58 743 641 A 79 LEU HG A 77 LYS HBy 1.0 . 4.07 744 642 A 59 VAL HGy% A 47 LYS HGy 1.0 . 4.40 745 643 A 47 LYS HGy A 47 LYS HEx 1.0 . 4.08 746 643 A 47 LYS HEy A 47 LYS HGy 1.0 . 4.08 747 644 A 21 TRP H A 20 LYS HGx 1.0 . 5.16 748 645 A 77 LYS H A 77 LYS HGy 1.0 . 5.24 749 646 A 77 LYS HGy A 77 LYS HEx 1.0 . 3.91 750 646 A 77 LYS HEy A 77 LYS HGy 1.0 . 3.91 751 647 A 56 LYS HBx A 56 LYS HGy 1.0 . 2.90 752 648 A 47 LYS HGx A 48 VAL H 1.0 . 4.33 753 649 A 47 LYS HA A 47 LYS HGx 1.0 . 3.96 754 650 A 77 LYS HGx A 30 GLU HBx 1.0 . 4.03 755 651 A 80 GLU H A 79 LEU HG 1.0 . 5.00 756 652 A 79 LEU HG A 79 LEU HA 1.0 . 4.25 757 653 A 79 LEU HG A 47 LYS HEx 1.0 . 3.71 758 653 A 47 LYS HEy A 79 LEU HG 1.0 . 3.71 759 654 A 79 LEU HG A 49 GLU HBy 1.0 . 3.31 760 655 A 79 LEU HBx A 79 LEU HG 1.0 . 2.94 761 656 A 44 LEU HDx% A 85 HIS H 1.0 . 5.03 762 657 A 44 LEU HDx% A 44 LEU H 1.0 . 4.59 763 658 A 44 LEU HDx% A 44 LEU HBx 1.0 . 2.92 764 658 A 44 LEU HBy A 44 LEU HDx% 1.0 . 2.92 765 659 A 85 HIS HBx A 44 LEU HDx% 1.0 . 4.40 766 660 A 20 LYS HGy A 20 LYS HA 1.0 . 3.68 767 661 A 20 LYS HGy A 17 SER HBx 1.0 . 4.15 768 662 A 20 LYS H A 20 LYS HGx 1.0 . 3.99 769 663 A 17 SER HBx A 20 LYS HGx 1.0 . 4.20 770 664 A 20 LYS HGx A 20 LYS HEx 1.0 . 4.17 771 664 A 20 LYS HEy A 20 LYS HGx 1.0 . 4.17 772 665 A 47 LYS HGx A 47 LYS HEx 1.0 . 3.91 773 665 A 47 LYS HGx A 47 LYS HEy 1.0 . 3.91 774 666 A 47 LYS HGx A 47 LYS HBx 1.0 . 2.84 775 667 A 57 LYS H A 56 LYS HGx 1.0 . 4.93 776 668 A 88 LEU H A 88 LEU HDx% 1.0 . 4.59 777 669 A 88 LEU HDx% A 88 LEU HBx 1.0 . 3.25 778 670 A 13 LEU HDx% A 12 LYS H 1.0 . 5.50 779 671 A 13 LEU HDx% A 13 LEU H 1.0 . 4.37 780 672 A 13 LEU HDx% A 10 PRO HA 1.0 . 3.47 781 673 A 13 LEU HDx% A 13 LEU HA 1.0 . 4.27 782 674 A 13 LEU HDx% A 8 PRO HBy 1.0 . 3.79 783 675 A 13 LEU HDx% A 8 PRO HGx 1.0 . 4.10 784 676 A 13 LEU HDx% A 13 LEU HBy 1.0 . 3.26 785 677 A 13 LEU HDx% A 13 LEU HBx 1.0 . 3.35 786 678 A 13 LEU HDx% A 18 VAL HGx% 1.0 . 4.28 787 678 A 13 LEU HDx% A 18 VAL HGy% 1.0 . 4.28 788 679 A 14 LYS H A 14 LYS HGx 1.0 . 4.30 789 680 A 57 LYS HBx A 57 LYS HGy 1.0 . 2.56 790 680 A 57 LYS HGx A 57 LYS HBx 1.0 . 2.56 791 681 A 57 LYS H A 57 LYS HGy 1.0 . 5.25 792 681 A 57 LYS HGx A 57 LYS H 1.0 . 5.25 793 682 A 51 THR HA A 57 LYS HGy 1.0 . 5.37 794 682 A 57 LYS HGx A 51 THR HA 1.0 . 5.37 795 683 A 14 LYS HGx A 14 LYS HEx 1.0 . 4.15 796 683 A 14 LYS HEy A 14 LYS HGx 1.0 . 4.15 797 684 A 14 LYS HDx A 14 LYS HGx 1.0 . 2.57 798 685 A 67 THR HB A 4 LYS HGx 1.0 . 5.32 799 686 A 5 ILE H A 4 LYS HGx 1.0 . 5.00 800 687 A 7 LYS HGy A 7 LYS H 1.0 . 4.60 801 688 A 7 LYS HGy A 64 ASP HA 1.0 . 5.17 802 689 A 7 LYS HGx A 7 LYS HEx 1.0 . 3.96 803 689 A 7 LYS HGx A 7 LYS HEy 1.0 . 3.96 804 690 A 13 LEU HDy% A 12 LYS HGy 1.0 . 5.50 805 691 A 4 LYS H A 4 LYS HGx 1.0 . 4.89 806 692 A 66 VAL H A 65 LEU HDx% 1.0 . 3.96 807 693 A 65 LEU H A 65 LEU HDx% 1.0 . 5.03 808 694 A 65 LEU HDx% A 21 TRP HH2 1.0 . 4.07 809 695 A 42 TYR HA A 65 LEU HDx% 1.0 . 3.85 810 696 A 65 LEU HDx% A 65 LEU HA 1.0 . 3.27 811 697 A 65 LEU HDx% A 42 TYR HBy 1.0 . 3.38 812 698 A 65 LEU HBy A 65 LEU HDx% 1.0 . 3.94 813 699 A 8 PRO HGx A 65 LEU HDx% 1.0 . 4.59 814 700 A 65 LEU HDx% A 40 THR HG2% 1.0 . 3.10 815 701 A 65 LEU HDx% A 18 VAL HGx% 1.0 . 3.85 816 701 A 65 LEU HDx% A 18 VAL HGy% 1.0 . 3.85 817 702 A 8 PRO HDx A 65 LEU HDx% 1.0 . 5.27 818 703 A 6 GLU HA A 7 LYS HGx 1.0 . 4.83 819 704 A 12 LYS HGy A 12 LYS H 1.0 . 4.76 820 705 A 12 LYS HGy A 12 LYS HA 1.0 . 3.85 821 706 A 13 LEU HA A 12 LYS HGy 1.0 . 5.50 822 707 A 16 LEU HDx% A 12 LYS HGy 1.0 . 4.15 823 708 A 12 LYS H A 12 LYS HGx 1.0 . 4.69 824 709 A 13 LEU HA A 12 LYS HGx 1.0 . 5.50 825 710 A 13 LEU HDy% A 12 LYS HGx 1.0 . 5.50 826 711 A 72 LEU HDy% A 74 CYS HA 1.0 . 5.37 827 712 A 72 LEU HDy% A 74 CYS HBy 1.0 . 4.29 828 713 A 72 LEU HDy% A 73 ARG H 1.0 . 3.53 829 714 A 72 LEU HDy% A 52 THR HB 1.0 . 3.65 830 715 A 72 LEU HDy% A 52 THR HA 1.0 . 4.65 831 716 A 72 LEU HDy% A 72 LEU HA 1.0 . 3.29 832 717 A 72 LEU HDy% A 74 CYS HBx 1.0 . 5.42 833 718 A 72 LEU HDy% A 3 VAL HGy% 1.0 . 4.51 834 719 A 70 LYS HGy A 36 ASP HA 1.0 . 5.50 835 720 A 70 LYS HGy A 37 THR HA 1.0 . 4.44 836 721 A 70 LYS HGy A 71 GLY H 1.0 . 4.73 837 722 A 62 LYS HGy A 62 LYS H 1.0 . 5.13 838 723 A 62 LYS HGy A 62 LYS HBx 1.0 . 2.94 839 723 A 62 LYS HBy A 62 LYS HGy 1.0 . 2.94 840 724 A 26 LYS HDy A 24 TRP HZ2 1.0 . 5.37 841 725 A 26 LYS HDy A 24 TRP HH2 1.0 . 5.50 842 726 A 26 LYS HBx A 26 LYS HDy 1.0 . 3.99 843 727 A 62 LYS HGy A 44 LEU HA 1.0 . 5.50 844 728 A 62 LYS HGy A 62 LYS HEy 1.0 . 3.95 845 729 A 43 ILE HG2% A 62 LYS HGy 1.0 . 5.47 846 730 A 62 LYS HGx A 63 GLY H 1.0 . 4.49 847 731 A 62 LYS HGx A 62 LYS H 1.0 . 4.89 848 732 A 24 TRP HH2 A 26 LYS HDx 1.0 . 4.90 849 733 A 26 LYS HA A 26 LYS HDx 1.0 . 4.89 850 734 A 26 LYS HBx A 26 LYS HDx 1.0 . 3.73 851 735 A 62 LYS HGx A 62 LYS HEx 1.0 . 3.81 852 736 A 53 GLU H A 52 THR HG2% 1.0 . 4.55 853 737 A 52 THR HG2% A 52 THR HA 1.0 . 3.38 854 738 A 56 LYS HBy A 52 THR HG2% 1.0 . 3.78 855 739 A 72 LEU HDy% A 52 THR HG2% 1.0 . 3.79 856 740 A 72 LEU HDx% A 52 THR HG2% 1.0 . 4.25 857 741 A 44 LEU HDy% A 44 LEU H 1.0 . 4.64 858 742 A 44 LEU HDy% A 44 LEU HA 1.0 . 3.07 859 743 A 56 LYS H A 52 THR HG2% 1.0 . 4.94 860 744 A 3 VAL HGx% A 52 THR HG2% 1.0 . 5.50 861 745 A 47 LYS HA A 82 VAL HGy% 1.0 . 5.12 862 746 A 82 VAL H A 82 VAL HGy% 1.0 . 4.17 863 747 A 45 GLU H A 82 VAL HGy% 1.0 . 4.98 864 748 A 47 LYS H A 82 VAL HGy% 1.0 . 4.01 865 749 A 24 TRP HE3 A 82 VAL HGy% 1.0 . 5.50 866 750 A 82 VAL HGy% A 76 TRP HZ3 1.0 . 4.46 867 751 A 82 VAL HA A 82 VAL HGy% 1.0 . 3.38 868 752 A 46 GLY HAx A 82 VAL HGy% 1.0 . 3.77 869 753 A 46 GLY HAy A 82 VAL HGy% 1.0 . 4.46 870 754 A 48 VAL HGx% A 82 VAL HGy% 1.0 . 4.98 871 755 A 65 LEU HA A 40 THR HG2% 1.0 . 5.47 872 756 A 66 VAL H A 40 THR HG2% 1.0 . 4.49 873 757 A 40 THR HG2% A 89 PHE HZ 1.0 . 5.50 874 758 A 21 TRP HH2 A 40 THR HG2% 1.0 . 3.46 875 759 A 65 LEU HDy% A 40 THR HG2% 1.0 . 4.08 876 760 A 79 LEU HDy% A 78 VAL H 1.0 . 5.43 877 761 A 78 VAL HGx% A 48 VAL HGx% 1.0 . 5.21 878 762 A 78 VAL HGx% A 78 VAL H 1.0 . 4.44 879 763 A 82 VAL H A 78 VAL HGx% 1.0 . 3.61 880 764 A 80 GLU H A 78 VAL HGx% 1.0 . 3.60 881 765 A 47 LYS H A 78 VAL HGx% 1.0 . 4.57 882 766 A 78 VAL HGx% A 48 VAL HA 1.0 . 5.24 883 767 A 80 GLU HA A 78 VAL HGx% 1.0 . 5.31 884 768 A 79 LEU HA A 79 LEU HDx% 1.0 . 5.41 885 769 A 78 VAL HA A 78 VAL HGx% 1.0 . 2.99 886 770 A 78 VAL HGx% A 28 VAL HA 1.0 . 3.22 887 771 A 79 LEU HDy% A 49 GLU H 1.0 . 4.83 888 772 A 79 LEU H A 79 LEU HDy% 1.0 . 4.64 889 773 A 80 GLU H A 79 LEU HDy% 1.0 . 5.09 890 774 A 79 LEU HDy% A 79 LEU HA 1.0 . 2.98 891 775 A 79 LEU HDy% A 77 LYS HEx 1.0 . 3.53 892 775 A 79 LEU HDy% A 77 LYS HEy 1.0 . 3.53 893 776 A 79 LEU HDy% A 77 LYS HBy 1.0 . 4.03 894 777 A 79 LEU HDy% A 49 GLU HBy 1.0 . 4.15 895 778 A 79 LEU HBx A 79 LEU HDy% 1.0 . 3.53 896 779 A 79 LEU HDy% A 77 LYS HGy 1.0 . 3.76 897 780 A 79 LEU HDy% A 77 LYS HGx 1.0 . 3.24 898 781 A 79 LEU HDy% A 48 VAL HA 1.0 . 5.21 899 782 A 4 LYS H A 3 VAL HGy% 1.0 . 4.78 900 783 A 3 VAL HGy% A 58 TYR HE% 1.0 . 4.18 901 784 A 68 PHE HA A 3 VAL HGy% 1.0 . 4.24 902 785 A 3 VAL HGy% A 3 VAL H 1.0 . 3.53 903 786 A 69 PRO HDy A 3 VAL HGy% 1.0 . 4.47 904 787 A 3 VAL HGy% A 3 VAL HA 1.0 . 3.38 905 788 A 3 VAL HGy% A 52 THR HG2% 1.0 . 4.08 906 789 A 3 VAL HGy% A 72 LEU HDx% 1.0 . 3.65 907 790 A 3 VAL HGy% A 66 VAL HGx% 1.0 . 5.26 908 791 A 16 LEU H A 16 LEU HDy% 1.0 . 4.28 909 792 A 21 TRP HZ2 A 16 LEU HDy% 1.0 . 4.18 910 793 A 21 TRP HH2 A 16 LEU HDy% 1.0 . 4.47 911 794 A 16 LEU HDy% A 16 LEU HA 1.0 . 2.90 912 795 A 16 LEU HDy% A 12 LYS HEx 1.0 . 4.25 913 795 A 12 LYS HEy A 16 LEU HDy% 1.0 . 4.25 914 796 A 16 LEU HBx A 16 LEU HDy% 1.0 . 3.16 915 797 A 16 LEU HDy% A 12 LYS HGx 1.0 . 3.82 916 798 A 16 LEU HDy% A 18 VAL HGx% 1.0 . 4.83 917 798 A 18 VAL HGy% A 16 LEU HDy% 1.0 . 4.83 918 799 A 9 THR H A 9 THR HG2% 1.0 . 3.13 919 800 A 9 THR HG2% A 9 THR HA 1.0 . 3.11 920 801 A 9 THR HG2% A 11 GLU HBy 1.0 . 4.34 921 802 A 9 THR HG2% A 12 LYS HBx 1.0 . 3.90 922 803 A 48 VAL HGx% A 82 VAL HGx% 1.0 . 5.50 923 804 A 82 VAL H A 82 VAL HGx% 1.0 . 3.39 924 805 A 83 ARG H A 82 VAL HGx% 1.0 . 4.01 925 806 A 47 LYS H A 82 VAL HGx% 1.0 . 5.30 926 807 A 24 TRP HE3 A 82 VAL HGx% 1.0 . 4.87 927 808 A 76 TRP HZ3 A 82 VAL HGx% 1.0 . 4.85 928 809 A 24 TRP HH2 A 82 VAL HGx% 1.0 . 5.32 929 810 A 82 VAL HA A 82 VAL HGx% 1.0 . 3.67 930 811 A 84 LYS HBx A 82 VAL HGx% 1.0 . 3.97 931 812 A 48 VAL HGy% A 82 VAL HGx% 1.0 . 4.95 932 813 A 43 ILE HD1% A 82 VAL HGx% 1.0 . 5.50 933 814 A 66 VAL H A 66 VAL HGy% 1.0 . 3.53 934 815 A 6 GLU H A 66 VAL HGy% 1.0 . 4.33 935 816 A 66 VAL HGy% A 67 THR H 1.0 . 4.58 936 817 A 66 VAL HGy% A 68 PHE HE% 1.0 . 5.33 937 818 A 66 VAL HA A 66 VAL HGy% 1.0 . 3.51 938 819 A 5 ILE HA A 66 VAL HGy% 1.0 . 4.16 939 820 A 64 ASP HBy A 66 VAL HGy% 1.0 . 3.81 940 821 A 64 ASP HBx A 66 VAL HGy% 1.0 . 3.42 941 822 A 60 ILE HB A 66 VAL HGy% 1.0 . 3.76 942 823 A 5 ILE HG1y A 66 VAL HGy% 1.0 . 4.03 943 824 A 66 VAL HGy% A 43 ILE HG1x 1.0 . 3.97 944 825 A 66 VAL HGy% A 60 ILE HD1% 1.0 . 3.79 945 826 A 3 VAL HGx% A 66 VAL HGy% 1.0 . 4.88 946 827 A 13 LEU HDy% A 42 TYR HBy 1.0 . 4.81 947 828 A 42 TYR HD% A 13 LEU HDy% 1.0 . 4.12 948 829 A 13 LEU HDy% A 13 LEU HA 1.0 . 3.03 949 830 A 13 LEU HDy% A 8 PRO HGx 1.0 . 3.42 950 831 A 13 LEU HDy% A 13 LEU HBy 1.0 . 3.93 951 832 A 13 LEU HDy% A 13 LEU HBx 1.0 . 3.32 952 833 A 13 LEU HDy% A 65 LEU HDx% 1.0 . 3.68 953 834 A 13 LEU HDy% A 16 LEU HDx% 1.0 . 3.88 954 835 A 13 LEU HDy% A 18 VAL HGx% 1.0 . 2.86 955 835 A 13 LEU HDy% A 18 VAL HGy% 1.0 . 2.86 956 836 A 29 SER HBx A 78 VAL HGy% 1.0 . 5.50 957 837 A 26 LYS HBx A 78 VAL HGy% 1.0 . 4.48 958 838 A 84 LYS H A 82 VAL HGx% 1.0 . 4.85 959 839 A 81 PRO HA A 82 VAL HGx% 1.0 . 4.39 960 840 A 78 VAL HB A 82 VAL HGx% 1.0 . 5.50 961 841 A 78 VAL HGx% A 82 VAL HGx% 1.0 . 4.28 962 842 A 43 ILE HG2% A 82 VAL HGx% 1.0 . 5.45 963 843 A 26 LYS HBx A 82 VAL HGx% 1.0 . 4.30 964 844 A 88 LEU H A 88 LEU HDy% 1.0 . 4.05 965 845 A 88 LEU HDy% A 88 LEU HA 1.0 . 3.23 966 846 A 88 LEU HDy% A 37 THR HB 1.0 . 5.26 967 847 A 88 LEU HDy% A 86 TYR HBy 1.0 . 5.30 968 848 A 88 LEU HDy% A 39 GLU HGy 1.0 . 3.86 969 849 A 88 LEU HDy% A 88 LEU HBx 1.0 . 3.60 970 850 A 42 TYR HA A 66 VAL HGy% 1.0 . 5.50 971 851 A 13 LEU HDy% A 13 LEU H 1.0 . 4.26 972 852 A 66 VAL H A 66 VAL HGx% 1.0 . 4.51 973 853 A 66 VAL HGx% A 67 THR H 1.0 . 3.61 974 854 A 4 LYS H A 66 VAL HGx% 1.0 . 4.90 975 855 A 66 VAL HGx% A 68 PHE HE% 1.0 . 4.09 976 856 A 66 VAL HA A 66 VAL HGx% 1.0 . 3.37 977 857 A 5 ILE HG1y A 66 VAL HGx% 1.0 . 4.22 978 858 A 5 ILE HG1x A 66 VAL HGx% 1.0 . 3.41 979 859 A 60 ILE HD1% A 66 VAL HGx% 1.0 . 3.74 980 860 A 78 VAL H A 78 VAL HGy% 1.0 . 3.47 981 861 A 82 VAL H A 78 VAL HGy% 1.0 . 5.29 982 862 A 30 GLU HA A 78 VAL HGy% 1.0 . 5.24 983 863 A 48 VAL HA A 78 VAL HGy% 1.0 . 4.85 984 864 A 78 VAL HA A 78 VAL HGy% 1.0 . 3.31 985 865 A 28 VAL HA A 78 VAL HGy% 1.0 . 4.50 986 866 A 76 TRP HBy A 78 VAL HGy% 1.0 . 4.33 987 867 A 48 VAL HGx% A 78 VAL HGy% 1.0 . 4.12 988 868 A 28 VAL H A 28 VAL HGx% 1.0 . 3.14 989 869 A 48 VAL HGy% A 48 VAL H 1.0 . 3.77 990 870 A 48 VAL HGy% A 49 GLU H 1.0 . 4.98 991 871 A 48 VAL HGy% A 79 LEU H 1.0 . 4.59 992 872 A 48 VAL HGy% A 47 LYS H 1.0 . 3.80 993 873 A 48 VAL HGy% A 82 VAL HGy% 1.0 . 3.15 994 874 A 48 VAL H A 48 VAL HGx% 1.0 . 4.34 995 875 A 49 GLU H A 48 VAL HGx% 1.0 . 3.42 996 876 A 77 LYS H A 48 VAL HGx% 1.0 . 3.66 997 877 A 48 VAL HGx% A 48 VAL HA 1.0 . 3.52 998 878 A 78 VAL HA A 48 VAL HGx% 1.0 . 3.83 999 879 A 76 TRP HBy A 48 VAL HGx% 1.0 . 4.17 1000 880 A 88 LEU HBx A 37 THR HB 1.0 . 5.24 1001 881 A 50 VAL H A 59 VAL HGx% 1.0 . 5.04 1002 882 A 60 ILE H A 59 VAL HGx% 1.0 . 4.32 1003 883 A 59 VAL HGx% A 59 VAL H 1.0 . 3.60 1004 884 A 59 VAL HGx% A 49 GLU HA 1.0 . 3.93 1005 885 A 59 VAL HA A 59 VAL HGx% 1.0 . 3.32 1006 886 A 59 VAL HGx% A 47 LYS HEx 1.0 . 4.25 1007 886 A 47 LYS HEy A 59 VAL HGx% 1.0 . 4.25 1008 887 A 50 VAL HGy% A 50 VAL HA 1.0 . 3.50 1009 888 A 74 CYS HBx A 50 VAL HGy% 1.0 . 3.44 1010 889 A 58 TYR HBx A 50 VAL HGy% 1.0 . 5.17 1011 890 A 52 THR HG2% A 50 VAL HGy% 1.0 . 3.89 1012 891 A 59 VAL HGy% A 60 ILE H 1.0 . 3.45 1013 892 A 59 VAL HGy% A 48 VAL H 1.0 . 4.45 1014 893 A 59 VAL HGy% A 59 VAL HA 1.0 . 3.33 1015 894 A 59 VAL HGy% A 60 ILE HA 1.0 . 5.15 1016 895 A 59 VAL HGy% A 49 GLU HGy 1.0 . 4.13 1017 896 A 39 GLU HA A 40 THR HB 1.0 . 4.80 1018 897 A 51 THR HG2% A 52 THR H 1.0 . 3.66 1019 898 A 51 THR HG2% A 58 TYR H 1.0 . 5.44 1020 899 A 51 THR HG2% A 51 THR H 1.0 . 4.54 1021 900 A 51 THR HG2% A 56 LYS H 1.0 . 5.04 1022 901 A 51 THR HG2% A 51 THR HA 1.0 . 3.17 1023 902 A 51 THR HG2% A 57 LYS HA 1.0 . 4.09 1024 903 A 51 THR HG2% A 55 GLY HAy 1.0 . 3.88 1025 904 A 51 THR HG2% A 57 LYS HEx 1.0 . 4.28 1026 904 A 51 THR HG2% A 57 LYS HEy 1.0 . 4.28 1027 905 A 40 THR HB A 41 CYS H 1.0 . 5.00 1028 906 A 67 THR HB A 66 VAL HA 1.0 . 4.65 1029 907 A 40 THR HB A 89 PHE HD% 1.0 . 4.87 1030 908 A 40 THR HB A 87 ASN HD2y 1.0 . 5.30 1031 909 A 67 THR HB A 4 LYS HBx 1.0 . 3.25 1032 910 A 67 THR HB A 66 VAL HGx% 1.0 . 4.93 1033 911 A 4 LYS H A 3 VAL HGx% 1.0 . 3.73 1034 912 A 3 VAL HGx% A 66 VAL HA 1.0 . 5.24 1035 913 A 3 VAL HGx% A 68 PHE HA 1.0 . 4.28 1036 914 A 3 VAL HGx% A 3 VAL HA 1.0 . 3.48 1037 915 A 3 VAL HGx% A 58 TYR HBy 1.0 . 5.04 1038 916 A 3 VAL HGx% A 5 ILE HG1y 1.0 . 3.94 1039 917 A 3 VAL HGx% A 5 ILE HD1% 1.0 . 3.93 1040 918 A 3 VAL HGx% A 5 ILE HG1x 1.0 . 4.02 1041 919 A 3 VAL HGx% A 58 TYR HBx 1.0 . 5.38 1042 920 A 67 THR HG2% A 66 VAL HGx% 1.0 . 5.50 1043 921 A 67 THR HG2% A 41 CYS H 1.0 . 5.50 1044 922 A 67 THR HG2% A 68 PHE H 1.0 . 3.66 1045 923 A 67 THR HG2% A 67 THR H 1.0 . 5.09 1046 924 A 67 THR HG2% A 39 GLU H 1.0 . 4.77 1047 925 A 67 THR HG2% A 40 THR HA 1.0 . 4.36 1048 926 A 67 THR HG2% A 67 THR HA 1.0 . 3.44 1049 927 A 67 THR HG2% A 66 VAL HA 1.0 . 5.50 1050 928 A 67 THR HG2% A 38 ASN HA 1.0 . 3.82 1051 929 A 67 THR HG2% A 38 ASN HBy 1.0 . 3.78 1052 930 A 28 VAL HGy% A 78 VAL H 1.0 . 5.37 1053 931 A 28 VAL HGy% A 28 VAL H 1.0 . 4.01 1054 932 A 28 VAL HGy% A 28 VAL HA 1.0 . 3.24 1055 933 A 50 VAL H A 50 VAL HGx% 1.0 . 3.76 1056 934 A 58 TYR H A 50 VAL HGx% 1.0 . 5.25 1057 935 A 50 VAL HGx% A 51 THR H 1.0 . 4.45 1058 936 A 50 VAL HGx% A 76 TRP HE1 1.0 . 4.55 1059 937 A 50 VAL HGx% A 68 PHE HE% 1.0 . 3.94 1060 938 A 68 PHE HD% A 50 VAL HGx% 1.0 . 5.50 1061 939 A 50 VAL HGx% A 50 VAL HA 1.0 . 3.41 1062 940 A 58 TYR HBy A 50 VAL HGx% 1.0 . 5.18 1063 941 A 58 TYR HBx A 50 VAL HGx% 1.0 . 4.86 1064 942 A 50 VAL HGx% A 48 VAL HB 1.0 . 4.26 1065 943 A 60 ILE HG1y A 50 VAL HGx% 1.0 . 5.31 1066 944 A 60 ILE HG2% A 50 VAL HGx% 1.0 . 4.44 1067 945 A 50 VAL HGx% A 48 VAL HGx% 1.0 . 3.19 1068 946 A 28 VAL HGy% A 78 VAL HB 1.0 . 4.26 1069 947 A 37 THR HG2% A 70 LYS HBy 1.0 . 3.75 1070 948 A 70 LYS HGx A 37 THR HG2% 1.0 . 2.56 1071 949 A 59 VAL HA A 50 VAL HGx% 1.0 . 5.36 1072 950 A 3 VAL HGx% A 60 ILE HG2% 1.0 . 5.32 1073 951 A 60 ILE HG1y A 60 ILE HG2% 1.0 . 3.73 1074 952 A 61 GLU H A 60 ILE HG2% 1.0 . 4.00 1075 953 A 60 ILE HG2% A 60 ILE H 1.0 . 4.15 1076 954 A 60 ILE HG2% A 68 PHE HZ 1.0 . 5.50 1077 955 A 59 VAL HA A 60 ILE HG2% 1.0 . 4.83 1078 956 A 60 ILE HG2% A 60 ILE HA 1.0 . 3.39 1079 957 A 64 ASP HBy A 60 ILE HG2% 1.0 . 3.95 1080 958 A 60 ILE HG2% A 43 ILE HG1x 1.0 . 3.50 1081 959 A 43 ILE HG2% A 60 ILE HG2% 1.0 . 4.77 1082 960 A 60 ILE HG2% A 66 VAL HGx% 1.0 . 4.03 1083 961 A 43 ILE HG2% A 63 GLY H 1.0 . 4.01 1084 962 A 43 ILE HG2% A 44 LEU H 1.0 . 3.87 1085 963 A 43 ILE HG2% A 43 ILE H 1.0 . 4.40 1086 964 A 43 ILE HG2% A 83 ARG H 1.0 . 4.41 1087 965 A 43 ILE HG2% A 45 GLU H 1.0 . 3.45 1088 966 A 43 ILE HG2% A 62 LYS H 1.0 . 4.17 1089 967 A 43 ILE HG2% A 84 LYS HA 1.0 . 5.05 1090 968 A 43 ILE HG2% A 82 VAL HA 1.0 . 5.01 1091 969 A 46 GLY HAx A 43 ILE HG2% 1.0 . 4.93 1092 970 A 43 ILE HG2% A 45 GLU HA 1.0 . 4.49 1093 971 A 43 ILE HG2% A 43 ILE HA 1.0 . 3.39 1094 972 A 43 ILE HG2% A 62 LYS HA 1.0 . 3.11 1095 973 A 43 ILE HG2% A 84 LYS HBx 1.0 . 4.07 1096 974 A 43 ILE HG2% A 43 ILE HG1y 1.0 . 3.99 1097 975 A 43 ILE HG2% A 82 VAL HGy% 1.0 . 3.68 1098 976 A 43 ILE HG2% A 43 ILE HG1x 1.0 . 3.62 1099 977 A 6 GLU HA A 5 ILE HG2% 1.0 . 4.18 1100 978 A 5 ILE HG2% A 6 GLU H 1.0 . 3.43 1101 979 A 5 ILE HG2% A 7 LYS HEx 1.0 . 4.77 1102 979 A 7 LYS HEy A 5 ILE HG2% 1.0 . 4.77 1103 980 A 5 ILE HG2% A 6 GLU HGy 1.0 . 5.35 1104 981 A 5 ILE HG2% A 6 GLU HBx 1.0 . 4.75 1105 981 A 6 GLU HBy A 5 ILE HG2% 1.0 . 4.75 1106 982 A 7 LYS HGx A 5 ILE HG2% 1.0 . 4.78 1107 983 A 5 ILE HG2% A 5 ILE HG1y 1.0 . 3.75 1108 984 A 5 ILE HG2% A 66 VAL HGx% 1.0 . 4.98 1109 985 A 23 ILE HG2% A 24 TRP H 1.0 . 3.54 1110 986 A 23 ILE HG2% A 23 ILE H 1.0 . 4.59 1111 987 A 23 ILE HG2% A 25 GLU HGy 1.0 . 4.03 1112 988 A 28 VAL HA A 29 SER HA 1.0 . 5.18 1113 989 A 78 VAL H A 28 VAL HA 1.0 . 5.31 1114 990 A 28 VAL HA A 29 SER H 1.0 . 3.22 1115 991 A 78 VAL HB A 28 VAL HA 1.0 . 3.15 1116 992 A 10 PRO HA A 13 LEU H 1.0 . 4.00 1117 993 A 13 LEU HBy A 10 PRO HA 1.0 . 3.51 1118 994 A 13 LEU HDy% A 10 PRO HA 1.0 . 5.46 1119 995 A 5 ILE HD1% A 5 ILE H 1.0 . 4.52 1120 996 A 5 ILE HD1% A 59 VAL H 1.0 . 4.66 1121 997 A 58 TYR HBy A 5 ILE HD1% 1.0 . 3.55 1122 998 A 5 ILE HD1% A 5 ILE HB 1.0 . 3.23 1123 999 A 5 ILE HD1% A 60 ILE HD1% 1.0 . 4.58 1124 1000 A 82 VAL H A 81 PRO HA 1.0 . 2.70 1125 1001 A 5 ILE HD1% A 60 ILE H 1.0 . 5.38 1126 1002 A 5 ILE HD1% A 60 ILE HA 1.0 . 4.39 1127 1003 A 5 ILE HD1% A 5 ILE HA 1.0 . 4.31 1128 1004 A 5 ILE HD1% A 66 VAL HGx% 1.0 . 4.75 1129 1005 A 80 GLU H A 81 PRO HA 1.0 . 5.25 1130 1006 A 81 PRO HA A 82 VAL HA 1.0 . 4.59 1131 1007 A 81 PRO HA A 78 VAL HGx% 1.0 . 3.42 1132 1008 A 29 SER HBy A 27 GLU HBy 1.0 . 4.03 1133 1009 A 27 GLU HBy A 29 SER HBx 1.0 . 4.78 1134 1010 A 28 VAL HGy% A 29 SER HBy 1.0 . 5.50 1135 1011 A 31 PHE HD% A 29 SER HBy 1.0 . 5.45 1136 1012 A 78 VAL HA A 77 LYS HA 1.0 . 5.02 1137 1013 A 79 LEU H A 78 VAL HA 1.0 . 2.89 1138 1014 A 78 VAL HA A 48 VAL HA 1.0 . 3.19 1139 1015 A 78 VAL HA A 79 LEU HA 1.0 . 4.68 1140 1016 A 78 VAL HA A 47 LYS HBy 1.0 . 5.50 1141 1017 A 27 GLU H A 29 SER HBx 1.0 . 5.50 1142 1018 A 50 VAL H A 60 ILE HD1% 1.0 . 5.38 1143 1019 A 48 VAL H A 60 ILE HD1% 1.0 . 5.24 1144 1020 A 58 TYR HBy A 60 ILE HD1% 1.0 . 4.87 1145 1021 A 58 TYR HBx A 60 ILE HD1% 1.0 . 4.99 1146 1022 A 66 VAL HB A 60 ILE HD1% 1.0 . 5.04 1147 1023 A 50 VAL HB A 60 ILE HD1% 1.0 . 4.58 1148 1024 A 60 ILE HB A 60 ILE HD1% 1.0 . 3.32 1149 1025 A 60 ILE HG2% A 60 ILE HD1% 1.0 . 3.22 1150 1026 A 50 VAL HGx% A 60 ILE HD1% 1.0 . 3.69 1151 1027 A 3 VAL HGx% A 60 ILE HD1% 1.0 . 4.84 1152 1028 A 20 LYS H A 18 VAL HA 1.0 . 4.40 1153 1029 A 85 HIS HBy A 18 VAL HA 1.0 . 4.94 1154 1030 A 18 VAL HB A 18 VAL HA 1.0 . 3.02 1155 1031 A 18 VAL HA A 18 VAL HGx% 1.0 . 3.14 1156 1031 A 18 VAL HGy% A 18 VAL HA 1.0 . 3.14 1157 1032 A 18 VAL HA A 85 HIS HD2 1.0 . 5.35 1158 1033 A 21 TRP HBx A 18 VAL HA 1.0 . 4.76 1159 1034 A 23 ILE HD1% A 23 ILE HA 1.0 . 4.20 1160 1035 A 83 ARG HDy A 23 ILE HD1% 1.0 . 5.50 1161 1036 A 83 ARG HDx A 23 ILE HD1% 1.0 . 5.22 1162 1037 A 23 ILE HG2% A 23 ILE HD1% 1.0 . 2.88 1163 1038 A 22 PRO HA A 23 ILE H 1.0 . 2.79 1164 1039 A 23 ILE HG2% A 22 PRO HA 1.0 . 5.50 1165 1040 A 22 PRO HA A 23 ILE HG1y 1.0 . 4.25 1166 1041 A 23 ILE HD1% A 23 ILE H 1.0 . 4.74 1167 1042 A 23 ILE HD1% A 85 HIS HA 1.0 . 5.29 1168 1043 A 3 VAL HA A 67 THR H 1.0 . 5.23 1169 1044 A 3 VAL HA A 4 LYS HBx 1.0 . 4.82 1170 1045 A 3 VAL HA A 66 VAL HGx% 1.0 . 5.43 1171 1046 A 4 LYS H A 3 VAL HA 1.0 . 2.83 1172 1047 A 68 PHE HA A 3 VAL HA 1.0 . 3.99 1173 1048 A 69 PRO HDx A 3 VAL HA 1.0 . 4.80 1174 1049 A 67 THR HA A 40 THR HA 1.0 . 3.08 1175 1050 A 67 THR HA A 40 THR HG2% 1.0 . 4.70 1176 1051 A 67 THR HA A 66 VAL HGx% 1.0 . 5.18 1177 1052 A 17 SER HBy A 20 LYS HEx 1.0 . 5.21 1178 1052 A 20 LYS HEy A 17 SER HBy 1.0 . 5.21 1179 1053 A 39 GLU HGx A 40 THR HA 1.0 . 4.97 1180 1054 A 68 PHE H A 40 THR HA 1.0 . 3.92 1181 1055 A 40 THR HG2% A 40 THR HA 1.0 . 3.50 1182 1056 A 66 VAL HGx% A 40 THR HA 1.0 . 5.50 1183 1057 A 6 GLU HGy A 5 ILE HA 1.0 . 5.27 1184 1058 A 5 ILE HA A 6 GLU HBx 1.0 . 4.67 1185 1058 A 6 GLU HBy A 5 ILE HA 1.0 . 4.67 1186 1059 A 5 ILE HA A 5 ILE HG1y 1.0 . 3.72 1187 1060 A 5 ILE HG2% A 5 ILE HA 1.0 . 3.27 1188 1061 A 5 ILE HA A 5 ILE HG1x 1.0 . 3.58 1189 1062 A 6 GLU HA A 5 ILE HA 1.0 . 5.01 1190 1063 A 5 ILE HA A 66 VAL HGx% 1.0 . 4.42 1191 1064 A 64 ASP HBx A 5 ILE HA 1.0 . 5.41 1192 1065 A 3 VAL HGx% A 5 ILE HA 1.0 . 5.50 1193 1066 A 17 SER H A 17 SER HBy 1.0 . 3.91 1194 1067 A 18 VAL H A 17 SER HBy 1.0 . 4.87 1195 1068 A 20 LYS HBx A 17 SER HBy 1.0 . 4.61 1196 1069 A 17 SER HBy A 20 LYS HDx 1.0 . 5.10 1197 1069 A 20 LYS HDy A 17 SER HBy 1.0 . 5.10 1198 1070 A 20 LYS HGy A 17 SER HBy 1.0 . 5.16 1199 1071 A 17 SER HBx A 21 TRP HE1 1.0 . 5.15 1200 1072 A 17 SER H A 17 SER HBx 1.0 . 3.99 1201 1073 A 17 SER HBx A 20 LYS HBx 1.0 . 4.15 1202 1074 A 18 VAL H A 17 SER HBx 1.0 . 4.83 1203 1075 A 17 SER HBx A 20 LYS HDx 1.0 . 4.44 1204 1075 A 17 SER HBx A 20 LYS HDy 1.0 . 4.44 1205 1076 A 39 GLU HGy A 40 THR HA 1.0 . 5.48 1206 1077 A 69 PRO HA A 70 LYS H 1.0 . 3.00 1207 1078 A 67 THR HG2% A 69 PRO HA 1.0 . 4.85 1208 1079 A 58 TYR H A 51 THR HA 1.0 . 4.04 1209 1080 A 58 TYR HD% A 51 THR HA 1.0 . 4.96 1210 1081 A 52 THR HG2% A 51 THR HA 1.0 . 4.02 1211 1082 A 50 VAL HGy% A 51 THR HA 1.0 . 4.97 1212 1083 A 51 THR HB A 50 VAL HA 1.0 . 4.57 1213 1084 A 66 VAL HA A 65 LEU HG 1.0 . 5.50 1214 1085 A 66 VAL HA A 5 ILE HG1y 1.0 . 5.03 1215 1086 A 5 ILE HA A 66 VAL HA 1.0 . 3.34 1216 1087 A 11 GLU HA A 15 GLU H 1.0 . 4.85 1217 1088 A 11 GLU HA A 11 GLU HGx 1.0 . 3.24 1218 1089 A 11 GLU HA A 11 GLU HBx 1.0 . 2.88 1219 1090 A 14 LYS HDx A 11 GLU HA 1.0 . 4.56 1220 1091 A 11 GLU HA A 14 LYS HEx 1.0 . 5.29 1221 1091 A 14 LYS HEy A 11 GLU HA 1.0 . 5.29 1222 1092 A 49 GLU H A 48 VAL HA 1.0 . 2.78 1223 1093 A 79 LEU H A 48 VAL HA 1.0 . 3.47 1224 1094 A 77 LYS HBy A 48 VAL HA 1.0 . 5.50 1225 1095 A 48 VAL HGy% A 48 VAL HA 1.0 . 3.57 1226 1096 A 80 GLU H A 48 VAL HA 1.0 . 4.76 1227 1097 A 47 LYS HBy A 48 VAL HA 1.0 . 4.14 1228 1098 A 37 THR HA A 38 ASN HA 1.0 . 4.36 1229 1099 A 49 GLU HBy A 48 VAL HA 1.0 . 5.09 1230 1100 A 37 THR HA A 70 LYS HA 1.0 . 5.11 1231 1101 A 37 THR HA A 70 LYS HEx 1.0 . 4.26 1232 1101 A 70 LYS HEy A 37 THR HA 1.0 . 4.26 1233 1102 A 37 THR HA A 70 LYS HDy 1.0 . 3.58 1234 1103 A 37 THR HA A 70 LYS HBx 1.0 . 4.27 1235 1104 A 37 THR HG2% A 37 THR HA 1.0 . 3.26 1236 1105 A 70 LYS HGx A 37 THR HA 1.0 . 3.60 1237 1106 A 11 GLU H A 9 THR HA 1.0 . 5.13 1238 1107 A 9 THR HA A 10 PRO HDx 1.0 . 2.73 1239 1107 A 10 PRO HDy A 9 THR HA 1.0 . 2.73 1240 1108 A 10 PRO HGy A 9 THR HA 1.0 . 5.06 1241 1109 A 9 THR HA A 10 PRO HGx 1.0 . 4.48 1242 1110 A 61 GLU H A 60 ILE HA 1.0 . 2.80 1243 1111 A 64 ASP HBy A 60 ILE HA 1.0 . 5.04 1244 1112 A 61 GLU HGy A 60 ILE HA 1.0 . 5.47 1245 1113 A 60 ILE HA A 60 ILE HD1% 1.0 . 4.79 1246 1114 A 61 GLU HA A 60 ILE HA 1.0 . 5.19 1247 1115 A 35 TYR HD% A 35 TYR HA 1.0 . 3.87 1248 1116 A 34 TYR HA A 35 TYR HA 1.0 . 5.07 1249 1117 A 63 GLY H A 43 ILE HA 1.0 . 5.23 1250 1118 A 85 HIS H A 43 ILE HA 1.0 . 4.72 1251 1119 A 84 LYS HBx A 43 ILE HA 1.0 . 3.89 1252 1120 A 43 ILE HG1y A 43 ILE HA 1.0 . 3.96 1253 1121 A 84 LYS HBy A 43 ILE HA 1.0 . 4.24 1254 1122 A 24 TRP HBy A 23 ILE HA 1.0 . 5.21 1255 1123 A 24 TRP HBx A 23 ILE HA 1.0 . 4.92 1256 1124 A 24 TRP H A 23 ILE HA 1.0 . 2.82 1257 1125 A 23 ILE HG2% A 23 ILE HA 1.0 . 3.60 1258 1126 A 23 ILE HA A 23 ILE HG1x 1.0 . 3.57 1259 1127 A 52 THR HA A 53 GLU HA 1.0 . 4.50 1260 1128 A 51 THR HG2% A 53 GLU HA 1.0 . 5.50 1261 1129 A 53 GLU HA A 55 GLY H 1.0 . 4.40 1262 1130 A 74 CYS HA A 53 GLU HA 1.0 . 4.86 1263 1131 A 53 GLU HA A 53 GLU HGx 1.0 . 3.55 1264 1131 A 53 GLU HGy A 53 GLU HA 1.0 . 3.55 1265 1132 A 85 HIS HBy A 23 ILE HA 1.0 . 5.21 1266 1133 A 45 GLU H A 43 ILE HA 1.0 . 4.72 1267 1134 A 15 GLU HGy A 15 GLU HA 1.0 . 3.67 1268 1135 A 15 GLU HA A 14 LYS HBy 1.0 . 5.14 1269 1136 A 43 ILE HD1% A 85 HIS H 1.0 . 5.37 1270 1137 A 43 ILE HD1% A 44 LEU H 1.0 . 4.62 1271 1138 A 43 ILE H A 43 ILE HD1% 1.0 . 4.28 1272 1139 A 43 ILE HD1% A 43 ILE HA 1.0 . 3.32 1273 1140 A 64 ASP HBy A 43 ILE HD1% 1.0 . 5.23 1274 1141 A 43 ILE HD1% A 43 ILE HB 1.0 . 4.18 1275 1142 A 43 ILE HD1% A 82 VAL HGy% 1.0 . 3.68 1276 1143 A 84 LYS HA A 43 ILE HD1% 1.0 . 4.36 1277 1144 A 41 CYS HBx A 43 ILE HD1% 1.0 . 5.00 1278 1145 A 84 LYS HBy A 43 ILE HD1% 1.0 . 4.02 1279 1146 A 43 ILE HG2% A 43 ILE HD1% 1.0 . 3.19 1280 1147 A 43 ILE HD1% A 60 ILE HD1% 1.0 . 4.07 1281 1148 A 46 GLY H A 82 VAL HA 1.0 . 5.00 1282 1149 A 46 GLY HAx A 82 VAL HA 1.0 . 3.06 1283 1150 A 46 GLY HAy A 82 VAL HA 1.0 . 3.73 1284 1151 A 82 VAL HA A 45 GLU HGx 1.0 . 4.70 1285 1151 A 45 GLU HGy A 82 VAL HA 1.0 . 4.70 1286 1152 A 82 VAL HA A 81 PRO HBx 1.0 . 5.19 1287 1153 A 78 VAL HGx% A 82 VAL HA 1.0 . 5.22 1288 1154 A 78 VAL HGy% A 29 SER HA 1.0 . 5.50 1289 1155 A 14 LYS HDx A 14 LYS HA 1.0 . 3.75 1290 1156 A 14 LYS HA A 14 LYS HBy 1.0 . 2.83 1291 1157 A 14 LYS HA A 14 LYS HGy 1.0 . 3.60 1292 1158 A 14 LYS HA A 14 LYS HGx 1.0 . 3.76 1293 1159 A 29 SER HA A 30 GLU H 1.0 . 3.09 1294 1160 A 28 VAL HGy% A 29 SER HA 1.0 . 4.54 1295 1161 A 14 LYS HA A 14 LYS HEx 1.0 . 5.12 1296 1161 A 14 LYS HEy A 14 LYS HA 1.0 . 5.12 1297 1162 A 18 VAL H A 14 LYS HA 1.0 . 4.51 1298 1163 A 14 LYS HA A 18 VAL HGx% 1.0 . 5.50 1299 1163 A 18 VAL HGy% A 14 LYS HA 1.0 . 5.50 1300 1164 A 20 LYS HGy A 17 SER HA 1.0 . 5.41 1301 1165 A 17 SER HA A 18 VAL HGx% 1.0 . 4.96 1302 1165 A 18 VAL HGy% A 17 SER HA 1.0 . 4.96 1303 1166 A 18 VAL H A 17 SER HA 1.0 . 3.26 1304 1167 A 12 LYS HA A 12 LYS HEx 1.0 . 4.74 1305 1167 A 12 LYS HEy A 12 LYS HA 1.0 . 4.74 1306 1168 A 12 LYS HA A 12 LYS HDx 1.0 . 3.69 1307 1168 A 12 LYS HA A 12 LYS HDy 1.0 . 3.69 1308 1169 A 12 LYS HA A 12 LYS HGx 1.0 . 3.48 1309 1170 A 16 LEU HDx% A 12 LYS HA 1.0 . 5.29 1310 1171 A 77 LYS H A 76 TRP HA 1.0 . 2.76 1311 1172 A 50 VAL HA A 76 TRP HA 1.0 . 3.43 1312 1173 A 50 VAL HGy% A 76 TRP HA 1.0 . 4.65 1313 1174 A 48 VAL HGx% A 76 TRP HA 1.0 . 4.04 1314 1175 A 50 VAL HGx% A 76 TRP HA 1.0 . 3.87 1315 1176 A 77 LYS HBx A 76 TRP HA 1.0 . 5.12 1316 1177 A 62 LYS HA A 63 GLY H 1.0 . 2.78 1317 1178 A 61 GLU HA A 62 LYS HA 1.0 . 4.82 1318 1179 A 45 GLU HA A 62 LYS HA 1.0 . 4.08 1319 1180 A 62 LYS HA A 44 LEU HA 1.0 . 4.70 1320 1181 A 43 ILE HB A 62 LYS HA 1.0 . 3.48 1321 1182 A 62 LYS HA A 62 LYS HBx 1.0 . 2.99 1322 1182 A 62 LYS HBy A 62 LYS HA 1.0 . 2.99 1323 1183 A 62 LYS HGx A 62 LYS HA 1.0 . 3.82 1324 1184 A 43 ILE HD1% A 62 LYS HA 1.0 . 5.35 1325 1185 A 62 LYS HA A 44 LEU H 1.0 . 5.01 1326 1186 A 13 LEU HA A 15 GLU H 1.0 . 5.50 1327 1187 A 18 VAL H A 13 LEU HA 1.0 . 4.81 1328 1188 A 34 TYR HBy A 33 TRP HA 1.0 . 4.78 1329 1189 A 34 TYR HBx A 33 TRP HA 1.0 . 5.21 1330 1190 A 13 LEU HA A 12 LYS HBy 1.0 . 5.03 1331 1191 A 16 LEU HBy A 13 LEU HA 1.0 . 3.59 1332 1192 A 13 LEU HA A 13 LEU HG 1.0 . 3.67 1333 1193 A 13 LEU HA A 18 VAL HGx% 1.0 . 3.59 1334 1193 A 18 VAL HGy% A 13 LEU HA 1.0 . 3.59 1335 1194 A 19 GLU HGx A 19 GLU HA 1.0 . 3.86 1336 1195 A 31 PHE HD% A 33 TRP HA 1.0 . 4.67 1337 1196 A 33 TRP HA A 33 TRP HE3 1.0 . 3.93 1338 1197 A 34 TYR H A 33 TRP HA 1.0 . 3.06 1339 1198 A 19 GLU HA A 18 VAL HB 1.0 . 4.89 1340 1199 A 20 LYS HA A 19 GLU HA 1.0 . 4.94 1341 1200 A 19 GLU HA A 19 GLU HBx 1.0 . 2.74 1342 1200 A 19 GLU HBy A 19 GLU HA 1.0 . 2.74 1343 1201 A 19 GLU HA A 18 VAL HGx% 1.0 . 4.39 1344 1201 A 18 VAL HGy% A 19 GLU HA 1.0 . 4.39 1345 1202 A 72 LEU H A 70 LYS HA 1.0 . 5.14 1346 1203 A 69 PRO HA A 70 LYS HA 1.0 . 4.96 1347 1204 A 70 LYS HDy A 70 LYS HA 1.0 . 4.79 1348 1205 A 45 GLU HA A 44 LEU HA 1.0 . 4.82 1349 1206 A 38 ASN HA A 70 LYS HA 1.0 . 4.54 1350 1207 A 70 LYS HGy A 70 LYS HA 1.0 . 3.85 1351 1208 A 70 LYS HGx A 70 LYS HA 1.0 . 3.55 1352 1209 A 87 ASN HBx A 86 TYR HA 1.0 . 4.84 1353 1210 A 24 TRP HE3 A 24 TRP HA 1.0 . 5.40 1354 1211 A 63 GLY H A 44 LEU HA 1.0 . 4.88 1355 1212 A 44 LEU HDx% A 44 LEU HA 1.0 . 4.60 1356 1213 A 43 ILE HG2% A 44 LEU HA 1.0 . 5.29 1357 1214 A 86 TYR HD% A 86 TYR HA 1.0 . 4.99 1358 1215 A 42 TYR H A 86 TYR HA 1.0 . 4.26 1359 1216 A 41 CYS HA A 86 TYR HA 1.0 . 3.18 1360 1217 A 41 CYS HBx A 86 TYR HA 1.0 . 4.13 1361 1218 A 47 LYS HA A 48 VAL HGx% 1.0 . 5.50 1362 1219 A 25 GLU HA A 24 TRP HA 1.0 . 4.88 1363 1220 A 25 GLU HGy A 24 TRP HA 1.0 . 5.15 1364 1221 A 25 GLU HGx A 24 TRP HA 1.0 . 5.50 1365 1222 A 23 ILE HG2% A 24 TRP HA 1.0 . 4.40 1366 1223 A 59 VAL HGx% A 58 TYR HA 1.0 . 4.68 1367 1224 A 59 VAL H A 58 TYR HA 1.0 . 2.86 1368 1225 A 58 TYR HE% A 58 TYR HA 1.0 . 5.28 1369 1226 A 59 VAL HB A 58 TYR HA 1.0 . 4.65 1370 1227 A 58 TYR HA A 57 LYS HGy 1.0 . 5.32 1371 1227 A 57 LYS HGx A 58 TYR HA 1.0 . 5.32 1372 1228 A 5 ILE HD1% A 58 TYR HA 1.0 . 4.69 1373 1229 A 43 ILE HG2% A 47 LYS HA 1.0 . 5.50 1374 1230 A 47 LYS HA A 62 LYS H 1.0 . 5.29 1375 1231 A 47 LYS HA A 61 GLU HBy 1.0 . 4.99 1376 1231 A 47 LYS HA A 61 GLU HBx 1.0 . 4.99 1377 1232 A 47 LYS HA A 47 LYS HDx 1.0 . 4.17 1378 1232 A 47 LYS HA A 47 LYS HDy 1.0 . 4.17 1379 1233 A 47 LYS HA A 47 LYS HGy 1.0 . 3.52 1380 1234 A 48 VAL HGy% A 47 LYS HA 1.0 . 4.46 1381 1235 A 86 TYR HD% A 24 TRP HA 1.0 . 5.42 1382 1236 A 56 LYS HA A 57 LYS H 1.0 . 2.70 1383 1237 A 56 LYS HA A 56 LYS HDx 1.0 . 3.94 1384 1237 A 56 LYS HA A 56 LYS HDy 1.0 . 3.94 1385 1238 A 56 LYS HA A 56 LYS HBx 1.0 . 3.01 1386 1239 A 56 LYS HA A 56 LYS HGy 1.0 . 3.81 1387 1240 A 56 LYS HA A 56 LYS HGx 1.0 . 3.40 1388 1241 A 56 LYS HA A 57 LYS HA 1.0 . 4.70 1389 1242 A 32 ASP H A 31 PHE HA 1.0 . 3.01 1390 1243 A 32 ASP HA A 31 PHE HA 1.0 . 5.05 1391 1244 A 32 ASP HBx A 31 PHE HA 1.0 . 5.09 1392 1245 A 79 LEU HA A 77 LYS HEx 1.0 . 5.36 1393 1245 A 77 LYS HEy A 79 LEU HA 1.0 . 5.36 1394 1246 A 75 ARG H A 74 CYS HA 1.0 . 3.08 1395 1247 A 53 GLU H A 74 CYS HA 1.0 . 3.90 1396 1248 A 52 THR HB A 74 CYS HA 1.0 . 4.70 1397 1249 A 52 THR HA A 74 CYS HA 1.0 . 3.08 1398 1250 A 75 ARG HBy A 74 CYS HA 1.0 . 4.73 1399 1251 A 50 VAL HGy% A 74 CYS HA 1.0 . 4.79 1400 1252 A 52 THR HG2% A 74 CYS HA 1.0 . 4.66 1401 1253 A 73 ARG H A 72 LEU HA 1.0 . 2.89 1402 1254 A 79 LEU HBy A 79 LEU HA 1.0 . 2.97 1403 1255 A 39 GLU HA A 89 PHE H 1.0 . 4.48 1404 1256 A 39 GLU HA A 39 GLU HGy 1.0 . 3.83 1405 1257 A 39 GLU HA A 88 LEU HDy% 1.0 . 3.84 1406 1258 A 73 ARG HA A 72 LEU HA 1.0 . 5.25 1407 1259 A 24 TRP H A 85 HIS HA 1.0 . 4.26 1408 1260 A 85 HIS HD2 A 85 HIS HA 1.0 . 5.50 1409 1261 A 86 TYR HD% A 85 HIS HA 1.0 . 4.62 1410 1262 A 23 ILE HA A 85 HIS HA 1.0 . 3.30 1411 1263 A 21 TRP HBx A 85 HIS HA 1.0 . 4.71 1412 1264 A 23 ILE HG2% A 85 HIS HA 1.0 . 4.73 1413 1265 A 23 ILE HG1y A 85 HIS HA 1.0 . 4.97 1414 1266 A 23 ILE HG1x A 85 HIS HA 1.0 . 4.55 1415 1267 A 39 GLU HA A 89 PHE HE% 1.0 . 5.05 1416 1268 A 39 GLU HA A 67 THR HG2% 1.0 . 5.50 1417 1269 A 39 GLU HA A 40 THR H 1.0 . 2.81 1418 1270 A 39 GLU HA A 89 PHE HD% 1.0 . 5.35 1419 1271 A 83 ARG HA A 26 LYS H 1.0 . 5.03 1420 1272 A 83 ARG HA A 83 ARG HGy 1.0 . 3.35 1421 1273 A 83 ARG HA A 82 VAL HGx% 1.0 . 4.33 1422 1274 A 23 ILE HG2% A 83 ARG HA 1.0 . 4.66 1423 1275 A 79 LEU HDy% A 77 LYS HA 1.0 . 4.85 1424 1276 A 20 LYS HA A 20 LYS HBy 1.0 . 2.94 1425 1277 A 20 LYS HA A 20 LYS HGx 1.0 . 3.29 1426 1278 A 13 LEU HDy% A 42 TYR HA 1.0 . 5.50 1427 1279 A 66 VAL H A 42 TYR HA 1.0 . 4.28 1428 1280 A 42 TYR HA A 43 ILE H 1.0 . 2.87 1429 1281 A 42 TYR HA A 65 LEU HA 1.0 . 3.29 1430 1282 A 42 TYR HA A 43 ILE HG1y 1.0 . 4.68 1431 1283 A 65 LEU HDy% A 42 TYR HA 1.0 . 5.50 1432 1284 A 42 TYR HA A 43 ILE HD1% 1.0 . 5.50 1433 1285 A 42 TYR HA A 18 VAL HGx% 1.0 . 5.37 1434 1285 A 42 TYR HA A 18 VAL HGy% 1.0 . 5.37 1435 1286 A 30 GLU HA A 29 SER H 1.0 . 5.50 1436 1287 A 34 TYR HE% A 73 ARG HA 1.0 . 5.50 1437 1288 A 83 ARG HA A 83 ARG HGx 1.0 . 3.87 1438 1289 A 75 ARG HA A 76 TRP H 1.0 . 2.83 1439 1290 A 75 ARG HA A 32 ASP HA 1.0 . 3.04 1440 1291 A 75 ARG HDy A 75 ARG HA 1.0 . 4.33 1441 1292 A 75 ARG HA A 75 ARG HGy 1.0 . 3.59 1442 1293 A 75 ARG HA A 32 ASP HBx 1.0 . 5.50 1443 1294 A 3 VAL HGy% A 2 GLU HA 1.0 . 4.83 1444 1295 A 18 VAL H A 16 LEU HA 1.0 . 4.95 1445 1296 A 15 GLU HBy A 16 LEU HA 1.0 . 5.31 1446 1297 A 16 LEU HA A 18 VAL HGx% 1.0 . 5.02 1447 1297 A 18 VAL HGy% A 16 LEU HA 1.0 . 5.02 1448 1298 A 42 TYR HA A 43 ILE HA 1.0 . 5.20 1449 1299 A 30 GLU HA A 78 VAL H 1.0 . 3.78 1450 1300 A 30 GLU HA A 77 LYS HA 1.0 . 3.03 1451 1301 A 30 GLU HA A 30 GLU HGx 1.0 . 3.82 1452 1301 A 30 GLU HA A 30 GLU HGy 1.0 . 3.82 1453 1302 A 73 ARG HA A 34 TYR HD% 1.0 . 4.02 1454 1303 A 34 TYR HA A 35 TYR H 1.0 . 3.12 1455 1304 A 65 LEU H A 64 ASP HA 1.0 . 2.67 1456 1305 A 65 LEU HBx A 64 ASP HA 1.0 . 5.14 1457 1306 A 64 ASP HA A 5 ILE HG2% 1.0 . 4.39 1458 1307 A 3 VAL H A 2 GLU HA 1.0 . 2.90 1459 1308 A 2 GLU HA A 2 GLU HGx 1.0 . 3.78 1460 1308 A 2 GLU HGy A 2 GLU HA 1.0 . 3.78 1461 1309 A 3 VAL HB A 2 GLU HA 1.0 . 4.80 1462 1310 A 62 LYS H A 45 GLU HA 1.0 . 4.88 1463 1311 A 46 GLY H A 45 GLU HA 1.0 . 2.77 1464 1312 A 45 GLU HA A 45 GLU HGx 1.0 . 3.75 1465 1312 A 45 GLU HGy A 45 GLU HA 1.0 . 3.75 1466 1313 A 45 GLU HA A 62 LYS HBx 1.0 . 3.01 1467 1313 A 62 LYS HBy A 45 GLU HA 1.0 . 3.01 1468 1314 A 28 VAL H A 27 GLU HA 1.0 . 3.00 1469 1315 A 27 GLU HBx A 27 GLU HA 1.0 . 2.73 1470 1316 A 27 GLU HA A 28 VAL HGx% 1.0 . 4.31 1471 1317 A 27 GLU HA A 28 VAL HA 1.0 . 4.67 1472 1318 A 7 LYS HA A 64 ASP HA 1.0 . 3.68 1473 1319 A 8 PRO HDx A 64 ASP HA 1.0 . 4.36 1474 1320 A 64 ASP HA A 7 LYS HDx 1.0 . 4.64 1475 1321 A 5 ILE H A 4 LYS HA 1.0 . 2.75 1476 1322 A 4 LYS HA A 4 LYS HGy 1.0 . 3.85 1477 1323 A 4 LYS HGx A 4 LYS HA 1.0 . 3.95 1478 1324 A 3 VAL HGx% A 4 LYS HA 1.0 . 5.17 1479 1325 A 5 ILE HD1% A 4 LYS HA 1.0 . 5.35 1480 1326 A 62 LYS HEy A 45 GLU HA 1.0 . 5.43 1481 1327 A 36 ASP HA A 70 LYS HA 1.0 . 4.84 1482 1328 A 36 ASP HA A 70 LYS HEx 1.0 . 5.15 1483 1328 A 70 LYS HEy A 36 ASP HA 1.0 . 5.15 1484 1329 A 71 GLY H A 36 ASP HA 1.0 . 4.98 1485 1330 A 70 LYS HGx A 36 ASP HA 1.0 . 4.14 1486 1331 A 58 TYR HBx A 57 LYS HA 1.0 . 4.93 1487 1332 A 58 TYR H A 57 LYS HA 1.0 . 2.73 1488 1333 A 51 THR HA A 57 LYS HA 1.0 . 3.01 1489 1334 A 57 LYS HA A 57 LYS HGy 1.0 . 3.35 1490 1334 A 57 LYS HGx A 57 LYS HA 1.0 . 3.35 1491 1335 A 41 CYS HA A 18 VAL HGx% 1.0 . 5.50 1492 1335 A 18 VAL HGy% A 41 CYS HA 1.0 . 5.50 1493 1336 A 41 CYS HA A 42 TYR H 1.0 . 2.99 1494 1337 A 41 CYS HA A 86 TYR H 1.0 . 5.39 1495 1338 A 41 CYS HA A 21 TRP HZ3 1.0 . 3.84 1496 1339 A 41 CYS HA A 86 TYR HBx 1.0 . 4.53 1497 1340 A 41 CYS HA A 40 THR HG2% 1.0 . 4.91 1498 1341 A 26 LYS HA A 25 GLU HA 1.0 . 4.99 1499 1342 A 26 LYS HEx A 26 LYS HA 1.0 . 5.31 1500 1343 A 26 LYS HA A 27 GLU HBx 1.0 . 4.47 1501 1344 A 27 GLU H A 26 LYS HA 1.0 . 2.78 1502 1345 A 26 LYS HA A 26 LYS HDy 1.0 . 3.83 1503 1346 A 26 LYS HA A 26 LYS HGy 1.0 . 3.19 1504 1347 A 41 CYS HA A 85 HIS H 1.0 . 5.44 1505 1348 A 65 LEU HDx% A 41 CYS HA 1.0 . 5.50 1506 1349 A 33 TRP H A 32 ASP HA 1.0 . 2.99 1507 1350 A 32 ASP HA A 76 TRP HBx 1.0 . 4.47 1508 1351 A 32 ASP HA A 75 ARG H 1.0 . 5.50 1509 1352 A 32 ASP HA A 75 ARG HGy 1.0 . 4.20 1510 1353 A 32 ASP HA A 31 PHE H 1.0 . 5.50 1511 1354 A 60 ILE H A 49 GLU HA 1.0 . 4.06 1512 1355 A 59 VAL HA A 49 GLU HA 1.0 . 3.14 1513 1356 A 49 GLU HGy A 49 GLU HA 1.0 . 3.80 1514 1357 A 49 GLU HGx A 49 GLU HA 1.0 . 3.20 1515 1358 A 48 VAL HB A 49 GLU HA 1.0 . 5.13 1516 1359 A 59 VAL HGy% A 49 GLU HA 1.0 . 4.51 1517 1360 A 48 VAL HGx% A 49 GLU HA 1.0 . 4.90 1518 1361 A 50 VAL H A 49 GLU HA 1.0 . 2.73 1519 1362 A 50 VAL HGx% A 49 GLU HA 1.0 . 4.93 1520 1363 A 42 TYR HD% A 84 LYS HA 1.0 . 5.16 1521 1364 A 69 PRO HDy A 68 PHE HA 1.0 . 3.28 1522 1365 A 68 PHE HA A 69 PRO HGx 1.0 . 4.84 1523 1366 A 67 THR HG2% A 68 PHE HA 1.0 . 5.46 1524 1367 A 84 LYS HA A 42 TYR H 1.0 . 5.21 1525 1368 A 84 LYS HA A 85 HIS H 1.0 . 2.95 1526 1369 A 84 LYS HA A 44 LEU H 1.0 . 3.31 1527 1370 A 84 LYS HA A 43 ILE HA 1.0 . 3.43 1528 1371 A 84 LYS HA A 85 HIS HBx 1.0 . 4.70 1529 1372 A 84 LYS HA A 84 LYS HDx 1.0 . 5.27 1530 1373 A 84 LYS HA A 44 LEU HDx% 1.0 . 4.51 1531 1374 A 61 GLU HA A 47 LYS HGy 1.0 . 4.42 1532 1375 A 61 GLU HA A 60 ILE HG1x 1.0 . 5.42 1533 1376 A 43 ILE HG2% A 61 GLU HA 1.0 . 4.10 1534 1377 A 48 VAL H A 61 GLU HA 1.0 . 4.48 1535 1378 A 61 GLU HA A 62 LYS H 1.0 . 2.91 1536 1379 A 61 GLU HA A 61 GLU HBy 1.0 . 2.96 1537 1379 A 61 GLU HA A 61 GLU HBx 1.0 . 2.96 1538 1380 A 61 GLU HA A 62 LYS HBx 1.0 . 4.54 1539 1380 A 62 LYS HBy A 61 GLU HA 1.0 . 4.54 1540 1381 A 61 GLU HA A 47 LYS HDx 1.0 . 4.91 1541 1381 A 47 LYS HDy A 61 GLU HA 1.0 . 4.91 1542 1382 A 87 ASN HBx A 21 TRP HA 1.0 . 5.40 1543 1383 A 21 TRP HE1 A 21 TRP HA 1.0 . 4.80 1544 1384 A 22 PRO HDy A 21 TRP HA 1.0 . 3.15 1545 1385 A 22 PRO HDx A 21 TRP HA 1.0 . 2.93 1546 1386 A 22 PRO HGx A 21 TRP HA 1.0 . 4.98 1547 1387 A 84 LYS HA A 83 ARG HA 1.0 . 5.33 1548 1388 A 84 LYS HA A 45 GLU H 1.0 . 4.77 1549 1389 A 25 GLU HA A 83 ARG HGx 1.0 . 5.09 1550 1390 A 26 LYS HBx A 25 GLU HA 1.0 . 5.26 1551 1391 A 40 THR H A 88 LEU HA 1.0 . 4.62 1552 1392 A 25 GLU HA A 25 GLU HBy 1.0 . 2.99 1553 1393 A 25 GLU HA A 82 VAL HGx% 1.0 . 4.90 1554 1394 A 88 LEU HDx% A 88 LEU HA 1.0 . 4.82 1555 1395 A 66 VAL H A 65 LEU HA 1.0 . 2.82 1556 1396 A 42 TYR HBy A 65 LEU HA 1.0 . 4.74 1557 1397 A 8 PRO HGx A 65 LEU HA 1.0 . 5.27 1558 1398 A 65 LEU HG A 65 LEU HA 1.0 . 3.88 1559 1399 A 65 LEU HA A 66 VAL HGy% 1.0 . 4.15 1560 1400 A 66 VAL HA A 65 LEU HA 1.0 . 5.50 1561 1401 A 80 GLU HA A 81 PRO HDx 1.0 . 2.82 1562 1401 A 81 PRO HDy A 80 GLU HA 1.0 . 2.82 1563 1402 A 28 VAL HGy% A 80 GLU HA 1.0 . 4.87 1564 1403 A 54 ASP HA A 54 ASP HBx 1.0 . 2.99 1565 1404 A 80 GLU HA A 78 VAL HB 1.0 . 5.42 1566 1405 A 85 HIS H A 44 LEU H 1.0 . 5.36 1567 1406 A 84 LYS HBy A 44 LEU H 1.0 . 4.80 1568 1407 A 83 ARG H A 44 LEU H 1.0 . 5.16 1569 1408 A 44 LEU H A 43 ILE HA 1.0 . 2.93 1570 1409 A 43 ILE HB A 44 LEU H 1.0 . 4.82 1571 1410 A 44 LEU H A 44 LEU HBx 1.0 . 3.17 1572 1410 A 44 LEU HBy A 44 LEU H 1.0 . 3.17 1573 1411 A 65 LEU H A 66 VAL H 1.0 . 4.83 1574 1412 A 66 VAL H A 67 THR H 1.0 . 5.00 1575 1413 A 66 VAL H A 65 LEU HG 1.0 . 3.96 1576 1414 A 65 LEU HBx A 66 VAL H 1.0 . 4.72 1577 1415 A 26 LYS HGx A 24 TRP HE1 1.0 . 5.50 1578 1416 A 60 ILE HG1y A 50 VAL H 1.0 . 4.82 1579 1417 A 50 VAL H A 58 TYR H 1.0 . 3.48 1580 1418 A 50 VAL H A 51 THR H 1.0 . 4.92 1581 1419 A 59 VAL HA A 50 VAL H 1.0 . 4.23 1582 1420 A 50 VAL H A 58 TYR HBx 1.0 . 4.32 1583 1421 A 50 VAL H A 50 VAL HB 1.0 . 3.22 1584 1422 A 50 VAL H A 50 VAL HGy% 1.0 . 4.46 1585 1423 A 50 VAL H A 48 VAL HGx% 1.0 . 4.78 1586 1424 A 35 TYR HBy A 33 TRP HE1 1.0 . 5.50 1587 1425 A 23 ILE H A 24 TRP H 1.0 . 5.28 1588 1426 A 24 TRP HBy A 24 TRP H 1.0 . 3.92 1589 1427 A 24 TRP HBx A 24 TRP H 1.0 . 3.55 1590 1428 A 23 ILE HB A 24 TRP H 1.0 . 4.37 1591 1429 A 84 LYS HDx A 24 TRP H 1.0 . 4.53 1592 1430 A 23 ILE HD1% A 24 TRP H 1.0 . 5.20 1593 1431 A 24 TRP H A 23 ILE HG1x 1.0 . 4.79 1594 1432 A 83 ARG HA A 24 TRP H 1.0 . 4.98 1595 1433 A 35 TYR HA A 33 TRP HE1 1.0 . 4.67 1596 1434 A 79 LEU H A 77 LYS HBy 1.0 . 5.31 1597 1435 A 79 LEU H A 48 VAL HGx% 1.0 . 5.26 1598 1436 A 79 LEU H A 79 LEU HBx 1.0 . 3.41 1599 1437 A 79 LEU H A 79 LEU HG 1.0 . 3.82 1600 1438 A 79 LEU H A 78 VAL H 1.0 . 4.91 1601 1439 A 79 LEU H A 49 GLU H 1.0 . 4.71 1602 1440 A 47 LYS H A 79 LEU H 1.0 . 5.37 1603 1441 A 79 LEU H A 79 LEU HDx% 1.0 . 4.13 1604 1442 A 67 THR HA A 68 PHE H 1.0 . 2.78 1605 1443 A 68 PHE HBy A 68 PHE H 1.0 . 3.51 1606 1444 A 39 GLU HBx A 68 PHE H 1.0 . 4.51 1607 1445 A 68 PHE H A 41 CYS H 1.0 . 5.22 1608 1446 A 68 PHE H A 67 THR HB 1.0 . 4.67 1609 1447 A 68 PHE H A 66 VAL HGx% 1.0 . 5.50 1610 1448 A 48 VAL HGx% A 78 VAL H 1.0 . 5.46 1611 1449 A 78 VAL H A 31 PHE H 1.0 . 4.59 1612 1450 A 78 VAL H A 77 LYS HA 1.0 . 2.93 1613 1451 A 78 VAL H A 29 SER HA 1.0 . 5.25 1614 1452 A 78 VAL HB A 78 VAL H 1.0 . 3.16 1615 1453 A 77 LYS HBx A 78 VAL H 1.0 . 4.80 1616 1454 A 77 LYS HGx A 78 VAL H 1.0 . 5.13 1617 1455 A 77 LYS HBy A 78 VAL H 1.0 . 4.71 1618 1456 A 4 LYS H A 66 VAL HA 1.0 . 5.39 1619 1457 A 67 THR HG2% A 4 LYS H 1.0 . 5.50 1620 1458 A 4 LYS H A 67 THR HB 1.0 . 3.95 1621 1459 A 4 LYS H A 4 LYS HBx 1.0 . 3.46 1622 1460 A 4 LYS H A 4 LYS HGy 1.0 . 4.94 1623 1461 A 4 LYS H A 5 ILE HG1y 1.0 . 4.97 1624 1462 A 6 GLU H A 66 VAL HA 1.0 . 4.22 1625 1463 A 6 GLU H A 5 ILE HA 1.0 . 2.82 1626 1464 A 64 ASP HBx A 6 GLU H 1.0 . 5.33 1627 1465 A 6 GLU H A 6 GLU HGy 1.0 . 3.82 1628 1466 A 6 GLU H A 6 GLU HBx 1.0 . 3.31 1629 1466 A 6 GLU HBy A 6 GLU H 1.0 . 3.31 1630 1467 A 6 GLU H A 5 ILE HG1y 1.0 . 5.22 1631 1468 A 76 TRP HD1 A 76 TRP H 1.0 . 4.68 1632 1469 A 30 GLU HA A 76 TRP H 1.0 . 5.50 1633 1470 A 76 TRP H A 32 ASP HA 1.0 . 4.15 1634 1471 A 75 ARG HDy A 76 TRP H 1.0 . 4.88 1635 1472 A 76 TRP H A 76 TRP HBy 1.0 . 3.83 1636 1473 A 76 TRP H A 75 ARG HBx 1.0 . 3.18 1637 1474 A 76 TRP H A 75 ARG HGy 1.0 . 3.87 1638 1475 A 6 GLU H A 5 ILE HG1x 1.0 . 4.82 1639 1476 A 73 ARG HA A 35 TYR H 1.0 . 4.37 1640 1477 A 35 TYR H A 35 TYR HBy 1.0 . 4.05 1641 1478 A 35 TYR H A 36 ASP H 1.0 . 5.09 1642 1479 A 35 TYR H A 35 TYR HBx 1.0 . 3.51 1643 1480 A 73 ARG H A 72 LEU HDx% 1.0 . 5.50 1644 1481 A 43 ILE H A 42 TYR H 1.0 . 5.13 1645 1482 A 43 ILE H A 62 LYS HA 1.0 . 5.33 1646 1483 A 43 ILE H A 64 ASP HBy 1.0 . 5.17 1647 1484 A 43 ILE H A 66 VAL HGy% 1.0 . 5.27 1648 1485 A 43 ILE H A 63 GLY H 1.0 . 4.92 1649 1486 A 43 ILE H A 64 ASP H 1.0 . 4.78 1650 1487 A 43 ILE H A 65 LEU HA 1.0 . 4.32 1651 1488 A 42 TYR HBy A 43 ILE H 1.0 . 4.67 1652 1489 A 43 ILE H A 43 ILE HB 1.0 . 3.25 1653 1490 A 43 ILE H A 43 ILE HG1y 1.0 . 3.23 1654 1491 A 43 ILE H A 43 ILE HG1x 1.0 . 3.83 1655 1492 A 65 LEU HDx% A 43 ILE H 1.0 . 5.41 1656 1493 A 72 LEU HBy A 35 TYR H 1.0 . 5.08 1657 1494 A 35 TYR H A 72 LEU HG 1.0 . 5.29 1658 1495 A 73 ARG HBy A 73 ARG H 1.0 . 3.91 1659 1496 A 73 ARG HBx A 73 ARG H 1.0 . 3.59 1660 1497 A 73 ARG H A 72 LEU HG 1.0 . 4.04 1661 1498 A 66 VAL H A 43 ILE H 1.0 . 5.50 1662 1499 A 20 LYS HBx A 21 TRP HE1 1.0 . 5.50 1663 1500 A 50 VAL HB A 76 TRP HE1 1.0 . 4.83 1664 1501 A 16 LEU HA A 21 TRP HE1 1.0 . 5.40 1665 1502 A 17 SER HBy A 21 TRP HE1 1.0 . 4.44 1666 1503 A 16 LEU HBx A 21 TRP HE1 1.0 . 4.91 1667 1504 A 18 VAL HA A 21 TRP HE1 1.0 . 4.63 1668 1505 A 21 TRP HE1 A 18 VAL HGx% 1.0 . 5.06 1669 1505 A 18 VAL HGy% A 21 TRP HE1 1.0 . 5.06 1670 1506 A 68 PHE HE% A 76 TRP HE1 1.0 . 3.78 1671 1507 A 50 VAL HGy% A 76 TRP HE1 1.0 . 4.91 1672 1508 A 48 VAL HGx% A 76 TRP HE1 1.0 . 5.50 1673 1509 A 33 TRP HBx A 76 TRP HE1 1.0 . 5.06 1674 1510 A 34 TYR H A 33 TRP HE1 1.0 . 5.15 1675 1511 A 33 TRP HBy A 34 TYR H 1.0 . 4.79 1676 1512 A 35 TYR H A 34 TYR H 1.0 . 5.50 1677 1513 A 34 TYR HBy A 34 TYR H 1.0 . 4.04 1678 1514 A 34 TYR HBx A 34 TYR H 1.0 . 3.67 1679 1515 A 47 LYS HA A 48 VAL H 1.0 . 2.73 1680 1516 A 48 VAL H A 47 LYS HBy 1.0 . 4.50 1681 1517 A 48 VAL H A 47 LYS HDx 1.0 . 3.46 1682 1517 A 48 VAL H A 47 LYS HDy 1.0 . 3.46 1683 1518 A 48 VAL H A 47 LYS HGy 1.0 . 3.97 1684 1519 A 48 VAL H A 78 VAL HA 1.0 . 5.50 1685 1520 A 25 GLU H A 24 TRP HBy 1.0 . 4.63 1686 1521 A 25 GLU H A 24 TRP HA 1.0 . 2.90 1687 1522 A 25 GLU HGy A 25 GLU H 1.0 . 4.12 1688 1523 A 25 GLU H A 25 GLU HBx 1.0 . 3.55 1689 1524 A 23 ILE HG2% A 25 GLU H 1.0 . 5.35 1690 1525 A 25 GLU H A 24 TRP H 1.0 . 5.11 1691 1526 A 26 LYS H A 25 GLU H 1.0 . 4.73 1692 1527 A 60 ILE H A 49 GLU HGy 1.0 . 5.50 1693 1528 A 70 LYS HGx A 36 ASP H 1.0 . 5.47 1694 1529 A 50 VAL H A 60 ILE H 1.0 . 5.12 1695 1530 A 48 VAL H A 60 ILE H 1.0 . 3.70 1696 1531 A 60 ILE H A 59 VAL H 1.0 . 5.27 1697 1532 A 59 VAL HA A 60 ILE H 1.0 . 2.82 1698 1533 A 60 ILE H A 59 VAL HB 1.0 . 4.61 1699 1534 A 60 ILE HB A 60 ILE H 1.0 . 3.83 1700 1535 A 60 ILE H A 60 ILE HG1x 1.0 . 3.20 1701 1536 A 60 ILE H A 60 ILE HD1% 1.0 . 4.63 1702 1537 A 50 VAL HGx% A 60 ILE H 1.0 . 5.50 1703 1538 A 35 TYR HA A 36 ASP H 1.0 . 2.99 1704 1539 A 35 TYR HBy A 36 ASP H 1.0 . 4.79 1705 1540 A 36 ASP HBy A 36 ASP H 1.0 . 3.78 1706 1541 A 36 ASP HBx A 36 ASP H 1.0 . 3.79 1707 1542 A 37 THR HG2% A 36 ASP H 1.0 . 5.16 1708 1543 A 88 LEU H A 88 LEU HG 1.0 . 3.16 1709 1544 A 88 LEU H A 87 ASN HBx 1.0 . 4.90 1710 1545 A 83 ARG H A 43 ILE HA 1.0 . 5.50 1711 1546 A 88 LEU H A 88 LEU HBx 1.0 . 3.93 1712 1547 A 83 ARG H A 84 LYS H 1.0 . 5.03 1713 1548 A 83 ARG H A 82 VAL HA 1.0 . 2.68 1714 1549 A 46 GLY HAx A 83 ARG H 1.0 . 4.26 1715 1550 A 82 VAL HB A 83 ARG H 1.0 . 4.34 1716 1551 A 83 ARG HBx A 83 ARG H 1.0 . 3.58 1717 1552 A 83 ARG H A 83 ARG HGx 1.0 . 5.09 1718 1553 A 83 ARG H A 82 VAL HGy% 1.0 . 3.51 1719 1554 A 83 ARG H A 44 LEU HDx% 1.0 . 5.50 1720 1555 A 27 GLU H A 27 GLU HGy 1.0 . 4.34 1721 1556 A 27 GLU H A 27 GLU HBx 1.0 . 3.10 1722 1557 A 27 GLU H A 26 LYS HDy 1.0 . 3.85 1723 1558 A 27 GLU H A 26 LYS HGy 1.0 . 3.82 1724 1559 A 27 GLU H A 26 LYS HDx 1.0 . 4.67 1725 1560 A 27 GLU H A 26 LYS HBx 1.0 . 4.75 1726 1561 A 27 GLU H A 26 LYS H 1.0 . 4.81 1727 1562 A 50 VAL H A 49 GLU H 1.0 . 5.50 1728 1563 A 48 VAL H A 49 GLU H 1.0 . 5.12 1729 1564 A 49 GLU H A 76 TRP HA 1.0 . 4.98 1730 1565 A 49 GLU H A 78 VAL HA 1.0 . 4.21 1731 1566 A 49 GLU H A 77 LYS HBy 1.0 . 3.70 1732 1567 A 49 GLU H A 48 VAL HB 1.0 . 4.36 1733 1568 A 49 GLU H A 79 LEU HG 1.0 . 3.75 1734 1569 A 49 GLU H A 49 GLU HBx 1.0 . 3.56 1735 1570 A 50 VAL HGx% A 49 GLU H 1.0 . 5.50 1736 1571 A 5 ILE H A 66 VAL HGx% 1.0 . 5.50 1737 1572 A 6 GLU HA A 5 ILE H 1.0 . 5.50 1738 1573 A 40 THR HB A 40 THR H 1.0 . 3.48 1739 1574 A 39 GLU HGy A 40 THR H 1.0 . 4.16 1740 1575 A 40 THR H A 40 THR HG2% 1.0 . 4.53 1741 1576 A 40 THR H A 41 CYS H 1.0 . 5.35 1742 1577 A 6 GLU H A 5 ILE H 1.0 . 4.95 1743 1578 A 4 LYS HBy A 5 ILE H 1.0 . 4.28 1744 1579 A 5 ILE HB A 5 ILE H 1.0 . 3.26 1745 1580 A 5 ILE H A 5 ILE HG1x 1.0 . 4.61 1746 1581 A 3 VAL HGx% A 5 ILE H 1.0 . 5.46 1747 1582 A 4 LYS H A 5 ILE H 1.0 . 5.14 1748 1583 A 5 ILE H A 4 LYS HGy 1.0 . 4.46 1749 1584 A 5 ILE H A 5 ILE HG1y 1.0 . 3.67 1750 1585 A 5 ILE HG2% A 5 ILE H 1.0 . 4.25 1751 1586 A 88 LEU HBy A 89 PHE H 1.0 . 4.39 1752 1587 A 88 LEU HDx% A 89 PHE H 1.0 . 5.22 1753 1588 A 89 PHE H A 38 ASN HBx 1.0 . 4.25 1754 1589 A 89 PHE H A 38 ASN HD2x 1.0 . 4.61 1755 1590 A 89 PHE H A 88 LEU HA 1.0 . 2.98 1756 1591 A 89 PHE H A 38 ASN HA 1.0 . 5.43 1757 1592 A 89 PHE H A 37 THR HB 1.0 . 3.60 1758 1593 A 88 LEU HDy% A 89 PHE H 1.0 . 4.59 1759 1594 A 21 TRP H A 21 TRP HBx 1.0 . 3.20 1760 1595 A 21 TRP H A 19 GLU HA 1.0 . 4.38 1761 1596 A 21 TRP H A 20 LYS HBx 1.0 . 4.33 1762 1597 A 21 TRP H A 18 VAL HA 1.0 . 4.24 1763 1598 A 21 TRP H A 20 LYS H 1.0 . 3.08 1764 1599 A 21 TRP H A 21 TRP HBy 1.0 . 3.62 1765 1600 A 21 TRP H A 20 LYS HBy 1.0 . 4.68 1766 1601 A 21 TRP H A 18 VAL HGx% 1.0 . 5.20 1767 1601 A 21 TRP H A 18 VAL HGy% 1.0 . 5.20 1768 1602 A 59 VAL H A 49 GLU HA 1.0 . 5.50 1769 1603 A 60 ILE HG2% A 59 VAL H 1.0 . 5.50 1770 1604 A 57 LYS HBx A 59 VAL H 1.0 . 5.50 1771 1605 A 58 TYR H A 59 VAL H 1.0 . 4.88 1772 1606 A 58 TYR HBy A 59 VAL H 1.0 . 3.89 1773 1607 A 58 TYR HBx A 59 VAL H 1.0 . 4.52 1774 1608 A 59 VAL HB A 59 VAL H 1.0 . 3.17 1775 1609 A 59 VAL HGy% A 59 VAL H 1.0 . 4.12 1776 1610 A 50 VAL H A 59 VAL H 1.0 . 5.38 1777 1611 A 61 GLU H A 43 ILE HG1x 1.0 . 5.25 1778 1612 A 61 GLU H A 60 ILE H 1.0 . 5.13 1779 1613 A 61 GLU H A 62 LYS H 1.0 . 5.20 1780 1614 A 64 ASP HBy A 61 GLU H 1.0 . 3.94 1781 1615 A 61 GLU H A 61 GLU HGy 1.0 . 3.77 1782 1616 A 61 GLU H A 61 GLU HBy 1.0 . 3.74 1783 1617 A 61 GLU H A 60 ILE HB 1.0 . 3.91 1784 1618 A 59 VAL HGy% A 61 GLU H 1.0 . 4.52 1785 1619 A 43 ILE HG2% A 61 GLU H 1.0 . 5.50 1786 1620 A 61 GLU H A 60 ILE HG1y 1.0 . 5.22 1787 1621 A 58 TYR H A 58 TYR HBx 1.0 . 3.50 1788 1622 A 58 TYR H A 50 VAL HB 1.0 . 4.17 1789 1623 A 58 TYR H A 57 LYS HBx 1.0 . 3.75 1790 1624 A 58 TYR H A 50 VAL HGy% 1.0 . 5.50 1791 1625 A 12 LYS H A 15 GLU H 1.0 . 5.26 1792 1626 A 12 LYS H A 9 THR HA 1.0 . 5.25 1793 1627 A 11 GLU HBy A 12 LYS H 1.0 . 3.48 1794 1628 A 12 LYS H A 12 LYS HBy 1.0 . 2.85 1795 1629 A 9 THR HG2% A 12 LYS H 1.0 . 4.49 1796 1630 A 65 LEU H A 65 LEU HBx 1.0 . 3.60 1797 1631 A 65 LEU H A 8 PRO HDx 1.0 . 3.74 1798 1632 A 65 LEU H A 65 LEU HBy 1.0 . 3.27 1799 1633 A 65 LEU H A 65 LEU HDy% 1.0 . 4.08 1800 1634 A 40 THR H A 39 GLU H 1.0 . 5.50 1801 1635 A 67 THR HA A 39 GLU H 1.0 . 5.00 1802 1636 A 39 GLU H A 38 ASN HA 1.0 . 3.24 1803 1637 A 39 GLU H A 38 ASN HBx 1.0 . 4.48 1804 1638 A 68 PHE H A 39 GLU H 1.0 . 3.83 1805 1639 A 68 PHE HBy A 39 GLU H 1.0 . 3.90 1806 1640 A 39 GLU HBx A 39 GLU H 1.0 . 3.77 1807 1641 A 88 LEU HDy% A 39 GLU H 1.0 . 5.50 1808 1642 A 39 GLU H A 38 ASN H 1.0 . 5.32 1809 1643 A 39 GLU H A 38 ASN HBy 1.0 . 3.80 1810 1644 A 73 ARG H A 72 LEU H 1.0 . 5.43 1811 1645 A 71 GLY H A 72 LEU H 1.0 . 3.77 1812 1646 A 35 TYR HBy A 72 LEU H 1.0 . 4.52 1813 1647 A 35 TYR HBx A 72 LEU H 1.0 . 3.76 1814 1648 A 72 LEU HBy A 72 LEU H 1.0 . 3.38 1815 1649 A 72 LEU HBx A 72 LEU H 1.0 . 3.43 1816 1650 A 72 LEU HDy% A 72 LEU H 1.0 . 5.37 1817 1651 A 72 LEU HDx% A 72 LEU H 1.0 . 5.17 1818 1652 A 35 TYR H A 72 LEU H 1.0 . 5.14 1819 1653 A 77 LYS H A 78 VAL HGy% 1.0 . 5.50 1820 1654 A 33 TRP H A 34 TYR H 1.0 . 5.14 1821 1655 A 49 GLU H A 77 LYS H 1.0 . 3.63 1822 1656 A 77 LYS H A 50 VAL HA 1.0 . 3.95 1823 1657 A 77 LYS H A 77 LYS HBy 1.0 . 3.37 1824 1658 A 77 LYS HBx A 77 LYS H 1.0 . 3.61 1825 1659 A 76 TRP H A 77 LYS H 1.0 . 4.48 1826 1660 A 50 VAL HGx% A 77 LYS H 1.0 . 4.84 1827 1661 A 75 ARG HA A 33 TRP H 1.0 . 3.90 1828 1662 A 32 ASP HBy A 33 TRP H 1.0 . 3.68 1829 1663 A 33 TRP H A 33 TRP HBx 1.0 . 3.54 1830 1664 A 51 THR H A 76 TRP HA 1.0 . 4.72 1831 1665 A 82 VAL H A 83 ARG H 1.0 . 4.88 1832 1666 A 82 VAL H A 81 PRO HBy 1.0 . 4.55 1833 1667 A 26 LYS HBx A 82 VAL H 1.0 . 5.50 1834 1668 A 84 LYS H A 44 LEU H 1.0 . 5.50 1835 1669 A 41 CYS H A 42 TYR H 1.0 . 5.03 1836 1670 A 41 CYS HBx A 42 TYR H 1.0 . 3.38 1837 1671 A 42 TYR HBy A 42 TYR H 1.0 . 3.90 1838 1672 A 42 TYR HBx A 42 TYR H 1.0 . 3.53 1839 1673 A 84 LYS HBy A 42 TYR H 1.0 . 4.40 1840 1674 A 84 LYS HBx A 42 TYR H 1.0 . 5.33 1841 1675 A 65 LEU HDx% A 42 TYR H 1.0 . 5.10 1842 1676 A 42 TYR H A 18 VAL HGx% 1.0 . 5.17 1843 1676 A 18 VAL HGy% A 42 TYR H 1.0 . 5.17 1844 1677 A 50 VAL HA A 51 THR H 1.0 . 2.88 1845 1678 A 51 THR HB A 51 THR H 1.0 . 3.33 1846 1679 A 75 ARG HBy A 51 THR H 1.0 . 4.10 1847 1680 A 50 VAL HGy% A 51 THR H 1.0 . 3.85 1848 1681 A 46 GLY HAx A 82 VAL H 1.0 . 5.16 1849 1682 A 4 LYS H A 3 VAL H 1.0 . 5.39 1850 1683 A 43 ILE HD1% A 42 TYR H 1.0 . 5.50 1851 1684 A 33 TRP H A 76 TRP HA 1.0 . 5.50 1852 1685 A 74 CYS HBx A 51 THR H 1.0 . 4.61 1853 1686 A 3 VAL H A 2 GLU HGx 1.0 . 4.66 1854 1686 A 3 VAL H A 2 GLU HGy 1.0 . 4.66 1855 1687 A 3 VAL H A 2 GLU HBy 1.0 . 3.90 1856 1688 A 3 VAL H A 3 VAL HB 1.0 . 3.27 1857 1689 A 84 LYS H A 85 HIS H 1.0 . 5.24 1858 1690 A 83 ARG HA A 84 LYS H 1.0 . 2.86 1859 1691 A 84 LYS HDy A 84 LYS H 1.0 . 3.57 1860 1692 A 84 LYS HBx A 84 LYS H 1.0 . 3.92 1861 1693 A 83 ARG HBx A 84 LYS H 1.0 . 4.45 1862 1694 A 84 LYS H A 82 VAL HGy% 1.0 . 4.20 1863 1695 A 44 LEU HDx% A 84 LYS H 1.0 . 4.58 1864 1696 A 43 ILE HG2% A 84 LYS H 1.0 . 5.50 1865 1697 A 3 VAL HGx% A 3 VAL H 1.0 . 4.89 1866 1698 A 42 TYR H A 85 HIS H 1.0 . 3.71 1867 1699 A 85 HIS HBx A 85 HIS H 1.0 . 3.29 1868 1700 A 42 TYR HBx A 85 HIS H 1.0 . 4.29 1869 1701 A 84 LYS HBy A 85 HIS H 1.0 . 3.60 1870 1702 A 84 LYS HBx A 85 HIS H 1.0 . 4.38 1871 1703 A 84 LYS HDx A 85 HIS H 1.0 . 4.78 1872 1704 A 7 LYS H A 6 GLU H 1.0 . 4.91 1873 1705 A 41 CYS H A 65 LEU HA 1.0 . 5.01 1874 1706 A 41 CYS H A 66 VAL HGx% 1.0 . 5.33 1875 1707 A 7 LYS H A 6 GLU HBx 1.0 . 3.19 1876 1707 A 6 GLU HBy A 7 LYS H 1.0 . 3.19 1877 1708 A 6 GLU HA A 7 LYS H 1.0 . 2.79 1878 1709 A 8 PRO HDx A 7 LYS H 1.0 . 5.02 1879 1710 A 7 LYS H A 7 LYS HBx 1.0 . 3.11 1880 1710 A 7 LYS HBy A 7 LYS H 1.0 . 3.11 1881 1711 A 7 LYS HGx A 7 LYS H 1.0 . 4.25 1882 1712 A 7 LYS H A 5 ILE HG2% 1.0 . 5.50 1883 1713 A 16 LEU H A 15 GLU H 1.0 . 3.39 1884 1714 A 13 LEU HBx A 15 GLU H 1.0 . 5.50 1885 1715 A 15 GLU H A 16 LEU HDy% 1.0 . 5.50 1886 1716 A 41 CYS H A 66 VAL HA 1.0 . 5.08 1887 1717 A 65 LEU HDy% A 41 CYS H 1.0 . 5.26 1888 1718 A 66 VAL H A 41 CYS H 1.0 . 3.48 1889 1719 A 41 CYS H A 40 THR HA 1.0 . 2.85 1890 1720 A 67 THR HA A 41 CYS H 1.0 . 4.17 1891 1721 A 41 CYS H A 40 THR HG2% 1.0 . 3.56 1892 1722 A 65 LEU HDx% A 41 CYS H 1.0 . 4.91 1893 1723 A 15 GLU H A 14 LYS H 1.0 . 3.25 1894 1724 A 15 GLU H A 12 LYS HA 1.0 . 3.75 1895 1725 A 15 GLU H A 15 GLU HBy 1.0 . 2.91 1896 1726 A 15 GLU H A 14 LYS HBx 1.0 . 3.28 1897 1727 A 15 GLU H A 14 LYS HGx 1.0 . 5.47 1898 1728 A 16 LEU HDx% A 15 GLU H 1.0 . 5.50 1899 1729 A 4 LYS HBy A 67 THR H 1.0 . 4.28 1900 1730 A 4 LYS HBx A 67 THR H 1.0 . 4.31 1901 1731 A 5 ILE HG1y A 67 THR H 1.0 . 5.50 1902 1732 A 52 THR H A 53 GLU H 1.0 . 5.39 1903 1733 A 57 LYS H A 56 LYS H 1.0 . 5.28 1904 1734 A 56 LYS H A 52 THR HB 1.0 . 5.38 1905 1735 A 4 LYS H A 67 THR H 1.0 . 3.89 1906 1736 A 66 VAL HA A 67 THR H 1.0 . 2.91 1907 1737 A 5 ILE HA A 67 THR H 1.0 . 4.43 1908 1738 A 67 THR HB A 67 THR H 1.0 . 3.36 1909 1739 A 66 VAL HB A 67 THR H 1.0 . 5.41 1910 1740 A 3 VAL HGx% A 67 THR H 1.0 . 4.66 1911 1741 A 68 PHE H A 67 THR H 1.0 . 4.70 1912 1742 A 53 GLU H A 53 GLU HGx 1.0 . 5.40 1913 1743 A 53 GLU H A 52 THR HB 1.0 . 3.19 1914 1744 A 53 GLU H A 52 THR HA 1.0 . 3.35 1915 1745 A 53 GLU H A 53 GLU HBy 1.0 . 3.36 1916 1746 A 72 LEU HDy% A 53 GLU H 1.0 . 4.92 1917 1747 A 58 TYR H A 57 LYS H 1.0 . 5.02 1918 1748 A 57 LYS H A 56 LYS HDx 1.0 . 4.87 1919 1748 A 57 LYS H A 56 LYS HDy 1.0 . 4.87 1920 1749 A 57 LYS HBy A 57 LYS H 1.0 . 3.01 1921 1750 A 57 LYS H A 57 LYS HGy 1.0 . 4.97 1922 1751 A 57 LYS H A 51 THR HA 1.0 . 5.33 1923 1752 A 52 THR H A 56 LYS H 1.0 . 3.91 1924 1753 A 54 ASP H A 56 LYS H 1.0 . 4.70 1925 1754 A 56 LYS HBy A 56 LYS H 1.0 . 3.17 1926 1755 A 56 LYS H A 56 LYS HDx 1.0 . 4.92 1927 1755 A 56 LYS H A 56 LYS HDy 1.0 . 4.92 1928 1756 A 56 LYS H A 56 LYS HGy 1.0 . 3.75 1929 1757 A 56 LYS H A 56 LYS HGx 1.0 . 4.04 1930 1758 A 32 ASP H A 33 TRP H 1.0 . 5.06 1931 1759 A 32 ASP H A 31 PHE HBy 1.0 . 4.06 1932 1760 A 32 ASP H A 31 PHE HBx 1.0 . 3.47 1933 1761 A 32 ASP H A 32 ASP HBx 1.0 . 3.30 1934 1762 A 61 GLU H A 64 ASP H 1.0 . 4.67 1935 1763 A 62 LYS HA A 64 ASP H 1.0 . 4.05 1936 1764 A 64 ASP H A 62 LYS HBx 1.0 . 5.50 1937 1764 A 62 LYS HBy A 64 ASP H 1.0 . 5.50 1938 1765 A 63 GLY H A 64 ASP H 1.0 . 3.34 1939 1766 A 64 ASP HBy A 64 ASP H 1.0 . 3.07 1940 1767 A 43 ILE HB A 64 ASP H 1.0 . 3.26 1941 1768 A 43 ILE HG1y A 64 ASP H 1.0 . 4.79 1942 1769 A 43 ILE HG1x A 64 ASP H 1.0 . 4.57 1943 1770 A 66 VAL HGy% A 64 ASP H 1.0 . 5.03 1944 1771 A 60 ILE HG2% A 64 ASP H 1.0 . 5.03 1945 1772 A 43 ILE HG2% A 64 ASP H 1.0 . 4.71 1946 1773 A 65 LEU H A 64 ASP H 1.0 . 4.71 1947 1774 A 51 THR HG2% A 75 ARG H 1.0 . 5.50 1948 1775 A 76 TRP H A 75 ARG H 1.0 . 5.20 1949 1776 A 75 ARG H A 74 CYS HBx 1.0 . 3.18 1950 1777 A 75 ARG HBy A 75 ARG H 1.0 . 3.53 1951 1778 A 75 ARG H A 75 ARG HGy 1.0 . 4.56 1952 1779 A 75 ARG H A 50 VAL HA 1.0 . 5.50 1953 1780 A 75 ARG H A 52 THR HA 1.0 . 4.86 1954 1781 A 51 THR HB A 75 ARG H 1.0 . 4.33 1955 1782 A 75 ARG H A 50 VAL HGy% 1.0 . 4.50 1956 1783 A 82 VAL H A 26 LYS H 1.0 . 3.84 1957 1784 A 26 LYS H A 25 GLU HA 1.0 . 2.86 1958 1785 A 26 LYS H A 81 PRO HA 1.0 . 5.50 1959 1786 A 26 LYS H A 25 GLU HBx 1.0 . 3.83 1960 1787 A 26 LYS H A 82 VAL HGx% 1.0 . 3.78 1961 1788 A 26 LYS HBx A 26 LYS H 1.0 . 3.99 1962 1789 A 86 TYR H A 85 HIS HA 1.0 . 3.11 1963 1790 A 86 TYR H A 23 ILE HA 1.0 . 4.64 1964 1791 A 22 PRO HDy A 86 TYR H 1.0 . 4.96 1965 1792 A 85 HIS HBy A 86 TYR H 1.0 . 3.90 1966 1793 A 21 TRP HBx A 86 TYR H 1.0 . 4.84 1967 1794 A 86 TYR H A 24 TRP H 1.0 . 4.61 1968 1795 A 86 TYR H A 22 PRO HGx 1.0 . 4.79 1969 1796 A 28 VAL H A 28 VAL HB 1.0 . 2.99 1970 1797 A 27 GLU H A 28 VAL H 1.0 . 5.06 1971 1798 A 77 LYS HA A 31 PHE H 1.0 . 4.55 1972 1799 A 76 TRP H A 31 PHE H 1.0 . 3.80 1973 1800 A 32 ASP H A 31 PHE H 1.0 . 4.30 1974 1801 A 30 GLU H A 31 PHE H 1.0 . 4.66 1975 1802 A 30 GLU HA A 31 PHE H 1.0 . 2.87 1976 1803 A 31 PHE H A 30 GLU HGx 1.0 . 4.36 1977 1803 A 30 GLU HGy A 31 PHE H 1.0 . 4.36 1978 1804 A 31 PHE H A 30 GLU HBy 1.0 . 4.00 1979 1805 A 76 TRP HBx A 31 PHE H 1.0 . 4.82 1980 1806 A 75 ARG HGy A 31 PHE H 1.0 . 4.71 1981 1807 A 38 ASN HD2y A 70 LYS HDy 1.0 . 5.05 1982 1808 A 38 ASN HD2y A 38 ASN HA 1.0 . 5.31 1983 1809 A 38 ASN HD2x A 89 PHE HE% 1.0 . 5.48 1984 1810 A 38 ASN HD2x A 38 ASN HA 1.0 . 5.50 1985 1811 A 38 ASN HD2x A 37 THR HB 1.0 . 5.50 1986 1812 A 70 LYS HGy A 70 LYS H 1.0 . 4.77 1987 1813 A 71 GLY H A 70 LYS H 1.0 . 5.45 1988 1814 A 70 LYS H A 69 PRO HBx 1.0 . 4.40 1989 1814 A 69 PRO HBy A 70 LYS H 1.0 . 4.40 1990 1815 A 70 LYS H A 69 PRO HGx 1.0 . 4.49 1991 1816 A 70 LYS HBy A 70 LYS H 1.0 . 3.31 1992 1817 A 70 LYS HBx A 70 LYS H 1.0 . 3.32 1993 1818 A 70 LYS HGx A 70 LYS H 1.0 . 5.12 1994 1819 A 38 ASN HD2x A 37 THR HA 1.0 . 5.50 1995 1820 A 52 THR H A 51 THR HA 1.0 . 2.84 1996 1821 A 52 THR H A 57 LYS HA 1.0 . 4.46 1997 1822 A 52 THR H A 51 THR HB 1.0 . 4.39 1998 1823 A 52 THR H A 56 LYS HBy 1.0 . 4.59 1999 1824 A 52 THR H A 52 THR HG2% 1.0 . 3.39 2000 1825 A 52 THR H A 50 VAL HGy% 1.0 . 5.35 2001 1826 A 80 GLU H A 81 PRO HDx 1.0 . 5.09 2002 1826 A 81 PRO HDy A 80 GLU H 1.0 . 5.09 2003 1827 A 52 THR H A 51 THR H 1.0 . 5.17 2004 1828 A 52 THR H A 56 LYS HA 1.0 . 5.28 2005 1829 A 80 GLU H A 79 LEU H 1.0 . 2.91 2006 1830 A 80 GLU H A 47 LYS HA 1.0 . 5.50 2007 1831 A 80 GLU H A 78 VAL HA 1.0 . 3.92 2008 1832 A 80 GLU H A 80 GLU HGy 1.0 . 4.78 2009 1833 A 80 GLU H A 80 GLU HBy 1.0 . 4.10 2010 1834 A 80 GLU H A 79 LEU HBx 1.0 . 3.39 2011 1835 A 80 GLU H A 78 VAL H 1.0 . 5.50 2012 1836 A 28 VAL HGy% A 80 GLU H 1.0 . 5.50 2013 1837 A 29 SER H A 30 GLU H 1.0 . 5.37 2014 1838 A 28 VAL H A 29 SER H 1.0 . 4.88 2015 1839 A 13 LEU HDy% A 14 LYS H 1.0 . 5.50 2016 1840 A 11 GLU HA A 14 LYS H 1.0 . 3.80 2017 1841 A 14 LYS H A 14 LYS HBx 1.0 . 2.81 2018 1842 A 13 LEU HBy A 14 LYS H 1.0 . 3.41 2019 1843 A 14 LYS H A 14 LYS HGy 1.0 . 4.01 2020 1844 A 13 LEU HBx A 14 LYS H 1.0 . 3.96 2021 1845 A 13 LEU HDx% A 14 LYS H 1.0 . 5.38 2022 1846 A 28 VAL HB A 29 SER H 1.0 . 4.90 2023 1847 A 78 VAL HGy% A 29 SER H 1.0 . 4.44 2024 1848 A 40 THR H A 87 ASN H 1.0 . 3.97 2025 1849 A 88 LEU H A 87 ASN H 1.0 . 4.95 2026 1850 A 41 CYS HA A 87 ASN H 1.0 . 4.31 2027 1851 A 87 ASN H A 86 TYR HA 1.0 . 3.10 2028 1852 A 86 TYR HBy A 87 ASN H 1.0 . 3.77 2029 1853 A 86 TYR HBx A 87 ASN H 1.0 . 4.34 2030 1854 A 39 GLU HGy A 87 ASN H 1.0 . 4.73 2031 1855 A 87 ASN HBy A 87 ASN H 1.0 . 3.57 2032 1856 A 88 LEU HDy% A 87 ASN H 1.0 . 5.47 2033 1857 A 87 ASN HBx A 87 ASN H 1.0 . 3.92 2034 1858 A 40 THR HB A 87 ASN H 1.0 . 4.71 2035 1859 A 78 VAL H A 30 GLU H 1.0 . 5.36 2036 1860 A 29 SER HBx A 30 GLU H 1.0 . 3.15 2037 1861 A 31 PHE HD% A 30 GLU H 1.0 . 5.49 2038 1862 A 29 SER HBy A 30 GLU H 1.0 . 3.78 2039 1863 A 30 GLU H A 30 GLU HGx 1.0 . 4.72 2040 1863 A 30 GLU H A 30 GLU HGy 1.0 . 4.72 2041 1864 A 22 PRO HBx A 23 ILE H 1.0 . 3.74 2042 1865 A 23 ILE HB A 23 ILE H 1.0 . 3.04 2043 1866 A 23 ILE H A 23 ILE HG1x 1.0 . 4.48 2044 1867 A 62 LYS H A 63 GLY H 1.0 . 4.97 2045 1868 A 46 GLY H A 62 LYS H 1.0 . 5.15 2046 1869 A 62 LYS H A 61 GLU HBy 1.0 . 3.18 2047 1870 A 62 LYS H A 62 LYS HBx 1.0 . 2.86 2048 1870 A 62 LYS HBy A 62 LYS H 1.0 . 2.86 2049 1871 A 23 ILE H A 22 PRO HGx 1.0 . 5.50 2050 1872 A 20 LYS H A 20 LYS HDx 1.0 . 5.06 2051 1872 A 20 LYS H A 20 LYS HDy 1.0 . 5.06 2052 1873 A 18 VAL H A 20 LYS H 1.0 . 5.32 2053 1874 A 21 TRP HBx A 20 LYS H 1.0 . 5.07 2054 1875 A 20 LYS H A 18 VAL HGx% 1.0 . 5.50 2055 1875 A 18 VAL HGy% A 20 LYS H 1.0 . 5.50 2056 1876 A 17 SER HBx A 20 LYS H 1.0 . 4.27 2057 1877 A 19 GLU HGy A 20 LYS H 1.0 . 3.78 2058 1878 A 20 LYS H A 20 LYS HBx 1.0 . 3.19 2059 1879 A 20 LYS HGy A 20 LYS H 1.0 . 3.63 2060 1880 A 72 LEU HDx% A 74 CYS H 1.0 . 5.50 2061 1881 A 73 ARG H A 74 CYS H 1.0 . 5.27 2062 1882 A 33 TRP H A 74 CYS H 1.0 . 4.03 2063 1883 A 73 ARG HA A 74 CYS H 1.0 . 2.98 2064 1884 A 73 ARG HBy A 74 CYS H 1.0 . 4.42 2065 1885 A 16 LEU H A 18 VAL H 1.0 . 4.94 2066 1886 A 16 LEU H A 15 GLU HBy 1.0 . 3.39 2067 1887 A 16 LEU HBy A 16 LEU H 1.0 . 3.01 2068 1888 A 16 LEU H A 18 VAL HGx% 1.0 . 4.75 2069 1888 A 18 VAL HGy% A 16 LEU H 1.0 . 4.75 2070 1889 A 11 GLU H A 12 LYS H 1.0 . 3.33 2071 1890 A 13 LEU H A 11 GLU H 1.0 . 4.90 2072 1891 A 11 GLU H A 10 PRO HDx 1.0 . 3.19 2073 1891 A 10 PRO HDy A 11 GLU H 1.0 . 3.19 2074 1892 A 11 GLU H A 11 GLU HBy 1.0 . 3.10 2075 1893 A 11 GLU H A 11 GLU HBx 1.0 . 3.58 2076 1894 A 9 THR HG2% A 11 GLU H 1.0 . 4.82 2077 1895 A 16 LEU H A 13 LEU HA 1.0 . 4.13 2078 1896 A 13 LEU H A 15 GLU H 1.0 . 5.16 2079 1897 A 13 LEU H A 12 LYS H 1.0 . 3.31 2080 1898 A 13 LEU H A 12 LYS HBy 1.0 . 3.33 2081 1899 A 13 LEU HBy A 13 LEU H 1.0 . 3.19 2082 1900 A 16 LEU HDx% A 13 LEU H 1.0 . 5.50 2083 1901 A 13 LEU H A 11 GLU HA 1.0 . 4.98 2084 1902 A 13 LEU H A 18 VAL HGx% 1.0 . 5.50 2085 1902 A 18 VAL HGy% A 13 LEU H 1.0 . 5.50 2086 1903 A 43 ILE HG2% A 47 LYS H 1.0 . 5.50 2087 1904 A 47 LYS H A 48 VAL H 1.0 . 4.74 2088 1905 A 80 GLU H A 47 LYS H 1.0 . 3.23 2089 1906 A 47 LYS H A 82 VAL HA 1.0 . 4.39 2090 1907 A 47 LYS H A 48 VAL HA 1.0 . 5.23 2091 1908 A 46 GLY HAx A 47 LYS H 1.0 . 3.13 2092 1909 A 47 LYS H A 78 VAL HA 1.0 . 5.42 2093 1910 A 47 LYS H A 47 LYS HBy 1.0 . 3.84 2094 1911 A 80 GLU HBx A 47 LYS H 1.0 . 3.23 2095 1912 A 47 LYS H A 47 LYS HBx 1.0 . 3.66 2096 1913 A 43 ILE HB A 63 GLY H 1.0 . 3.60 2097 1914 A 63 GLY H A 62 LYS HBx 1.0 . 4.27 2098 1914 A 62 LYS HBy A 63 GLY H 1.0 . 4.27 2099 1915 A 71 GLY H A 70 LYS HA 1.0 . 3.00 2100 1916 A 71 GLY H A 35 TYR HBx 1.0 . 4.28 2101 1917 A 70 LYS HGx A 71 GLY H 1.0 . 4.30 2102 1918 A 20 LYS H A 19 GLU H 1.0 . 3.43 2103 1919 A 18 VAL H A 19 GLU H 1.0 . 3.51 2104 1920 A 19 GLU H A 17 SER HA 1.0 . 3.91 2105 1921 A 19 GLU HGx A 19 GLU H 1.0 . 3.81 2106 1922 A 19 GLU H A 19 GLU HBx 1.0 . 3.02 2107 1922 A 19 GLU HBy A 19 GLU H 1.0 . 3.02 2108 1923 A 19 GLU H A 18 VAL HB 1.0 . 3.81 2109 1924 A 19 GLU H A 18 VAL HGx% 1.0 . 3.81 2110 1924 A 18 VAL HGy% A 19 GLU H 1.0 . 3.81 2111 1925 A 20 LYS HGy A 19 GLU H 1.0 . 5.50 2112 1926 A 54 ASP H A 53 GLU H 1.0 . 4.00 2113 1927 A 54 ASP H A 52 THR HB 1.0 . 3.63 2114 1928 A 54 ASP H A 54 ASP HBy 1.0 . 4.02 2115 1929 A 54 ASP H A 54 ASP HBx 1.0 . 3.69 2116 1930 A 54 ASP H A 53 GLU HGx 1.0 . 4.30 2117 1931 A 54 ASP H A 53 GLU HBx 1.0 . 4.07 2118 1932 A 54 ASP H A 52 THR HG2% 1.0 . 5.13 2119 1933 A 18 VAL H A 19 GLU HA 1.0 . 5.50 2120 1934 A 16 LEU HBy A 18 VAL H 1.0 . 4.11 2121 1935 A 18 VAL H A 18 VAL HB 1.0 . 3.34 2122 1936 A 18 VAL H A 18 VAL HGx% 1.0 . 3.20 2123 1936 A 18 VAL HGy% A 18 VAL H 1.0 . 3.20 2124 1937 A 38 ASN H A 70 LYS HA 1.0 . 5.50 2125 1938 A 38 ASN H A 38 ASN HD2y 1.0 . 4.67 2126 1939 A 70 LYS HGx A 38 ASN H 1.0 . 5.50 2127 1940 A 38 ASN H A 38 ASN HD2x 1.0 . 3.87 2128 1941 A 38 ASN H A 37 THR HB 1.0 . 2.94 2129 1942 A 38 ASN H A 37 THR HA 1.0 . 3.26 2130 1943 A 38 ASN H A 70 LYS HBx 1.0 . 4.90 2131 1944 A 37 THR HG2% A 38 ASN H 1.0 . 4.50 2132 1945 A 82 VAL HA A 45 GLU H 1.0 . 4.67 2133 1946 A 43 ILE HD1% A 45 GLU H 1.0 . 5.39 2134 1947 A 45 GLU H A 62 LYS HA 1.0 . 5.17 2135 1948 A 45 GLU H A 44 LEU H 1.0 . 3.13 2136 1949 A 83 ARG H A 45 GLU H 1.0 . 3.41 2137 1950 A 45 GLU H A 45 GLU HGx 1.0 . 4.13 2138 1950 A 45 GLU HGy A 45 GLU H 1.0 . 4.13 2139 1951 A 45 GLU HBy A 45 GLU H 1.0 . 4.17 2140 1952 A 45 GLU HBx A 45 GLU H 1.0 . 4.04 2141 1953 A 45 GLU H A 44 LEU HBx 1.0 . 3.22 2142 1953 A 44 LEU HBy A 45 GLU H 1.0 . 3.22 2143 1954 A 44 LEU HDx% A 45 GLU H 1.0 . 5.30 2144 1955 A 74 CYS HBx A 75 ARG HE 1.0 . 4.74 2145 1956 A 21 TRP HZ2 A 87 ASN HD2y 1.0 . 5.50 2146 1957 A 87 ASN HD2y A 21 TRP HE1 1.0 . 5.50 2147 1958 A 87 ASN HD2x A 89 PHE HBx 1.0 . 5.41 2148 1959 A 87 ASN HA A 87 ASN HD2y 1.0 . 5.50 2149 1960 A 17 SER H A 13 LEU HA 1.0 . 5.50 2150 1961 A 16 LEU HDx% A 17 SER H 1.0 . 5.50 2151 1962 A 16 LEU H A 17 SER H 1.0 . 3.39 2152 1963 A 17 SER H A 18 VAL H 1.0 . 3.41 2153 1964 A 17 SER H A 17 SER HA 1.0 . 2.71 2154 1965 A 17 SER H A 15 GLU HBy 1.0 . 5.10 2155 1966 A 16 LEU HBy A 17 SER H 1.0 . 3.95 2156 1967 A 17 SER H A 16 LEU HDy% 1.0 . 5.50 2157 1968 A 17 SER H A 19 GLU H 1.0 . 5.17 2158 1969 A 21 TRP HZ2 A 17 SER H 1.0 . 5.50 2159 1970 A 17 SER H A 18 VAL HGx% 1.0 . 4.87 2160 1970 A 18 VAL HGy% A 17 SER H 1.0 . 4.87 2161 1971 A 37 THR H A 38 ASN HA 1.0 . 5.14 2162 1972 A 37 THR H A 35 TYR HA 1.0 . 4.05 2163 1973 A 37 THR H A 70 LYS HA 1.0 . 4.15 2164 1974 A 36 ASP HBy A 37 THR H 1.0 . 4.41 2165 1975 A 36 ASP HBx A 37 THR H 1.0 . 4.71 2166 1976 A 37 THR HG2% A 37 THR H 1.0 . 3.88 2167 1977 A 70 LYS HGx A 37 THR H 1.0 . 4.73 2168 1978 A 37 THR H A 36 ASP H 1.0 . 3.29 2169 1979 A 62 LYS HEy A 46 GLY H 1.0 . 5.50 2170 1980 A 43 ILE HG2% A 46 GLY H 1.0 . 5.25 2171 1981 A 46 GLY H A 45 GLU H 1.0 . 5.12 2172 1982 A 47 LYS H A 46 GLY H 1.0 . 4.66 2173 1983 A 46 GLY H A 45 GLU HBy 1.0 . 3.78 2174 1984 A 46 GLY H A 62 LYS HBx 1.0 . 3.67 2175 1984 A 62 LYS HBy A 46 GLY H 1.0 . 3.67 2176 1985 A 52 THR HB A 55 GLY H 1.0 . 5.11 2177 1986 A 52 THR H A 55 GLY H 1.0 . 4.89 2178 1987 A 54 ASP H A 55 GLY H 1.0 . 3.31 2179 1988 A 56 LYS H A 55 GLY H 1.0 . 3.25 2180 1989 A 55 GLY H A 54 ASP HBx 1.0 . 5.48 2181 1990 A 55 GLY H A 53 GLU HGx 1.0 . 5.50 2182 1991 A 56 LYS HBy A 55 GLY H 1.0 . 5.50 2183 1992 A 52 THR HG2% A 55 GLY H 1.0 . 5.40 2184 1993 A 53 GLU HBy A 55 GLY H 1.0 . 5.50 2185 1994 A 51 THR HG2% A 55 GLY H 1.0 . 4.53 2186 1995 A 55 GLY H A 54 ASP HBy 1.0 . 5.41 2187 1996 A 26 LYS HEx A 31 PHE HD% 1.0 . 5.19 2188 1997 A 86 TYR HD% A 87 ASN H 1.0 . 4.77 2189 1998 A 86 TYR HD% A 23 ILE HA 1.0 . 4.23 2190 1999 A 88 LEU H A 86 TYR HD% 1.0 . 4.55 2191 2000 A 87 ASN HA A 86 TYR HD% 1.0 . 4.90 2192 2001 A 33 TRP H A 31 PHE HD% 1.0 . 4.30 2193 2002 A 31 PHE HD% A 76 TRP HBx 1.0 . 4.42 2194 2003 A 31 PHE HD% A 31 PHE H 1.0 . 4.44 2195 2004 A 31 PHE HD% A 33 TRP HE3 1.0 . 3.85 2196 2005 A 31 PHE HD% A 30 GLU HA 1.0 . 4.08 2197 2006 A 31 PHE HD% A 31 PHE HA 1.0 . 4.33 2198 2007 A 31 PHE HD% A 29 SER HBx 1.0 . 3.86 2199 2008 A 31 PHE HD% A 78 VAL HGy% 1.0 . 4.54 2200 2009 A 86 TYR HD% A 24 TRP HBy 1.0 . 3.68 2201 2010 A 86 TYR HD% A 86 TYR H 1.0 . 3.34 2202 2011 A 88 LEU HG A 86 TYR HD% 1.0 . 3.04 2203 2012 A 88 LEU HDx% A 86 TYR HD% 1.0 . 4.09 2204 2013 A 88 LEU HDy% A 86 TYR HD% 1.0 . 3.20 2205 2014 A 58 TYR H A 58 TYR HD% 1.0 . 3.35 2206 2015 A 58 TYR HD% A 57 LYS HA 1.0 . 4.08 2207 2016 A 58 TYR HD% A 52 THR HG2% 1.0 . 3.19 2208 2017 A 58 TYR HD% A 58 TYR HA 1.0 . 3.22 2209 2018 A 50 VAL HB A 58 TYR HD% 1.0 . 3.55 2210 2019 A 5 ILE HD1% A 58 TYR HD% 1.0 . 2.89 2211 2020 A 50 VAL HGx% A 58 TYR HD% 1.0 . 5.16 2212 2021 A 3 VAL HGx% A 58 TYR HD% 1.0 . 3.94 2213 2022 A 40 THR H A 89 PHE HD% 1.0 . 4.48 2214 2023 A 58 TYR HD% A 59 VAL H 1.0 . 4.55 2215 2024 A 87 ASN HBy A 89 PHE HD% 1.0 . 4.42 2216 2025 A 88 LEU HA A 89 PHE HD% 1.0 . 3.88 2217 2026 A 38 ASN HBy A 89 PHE HD% 1.0 . 4.46 2218 2027 A 89 PHE H A 89 PHE HD% 1.0 . 3.44 2219 2028 A 89 PHE HD% A 89 PHE HA 1.0 . 3.94 2220 2029 A 38 ASN HBx A 89 PHE HD% 1.0 . 4.10 2221 2030 A 34 TYR HD% A 35 TYR H 1.0 . 4.03 2222 2031 A 34 TYR HA A 34 TYR HD% 1.0 . 3.21 2223 2032 A 34 TYR HD% A 36 ASP HA 1.0 . 4.31 2224 2033 A 73 ARG HBx A 34 TYR HD% 1.0 . 3.00 2225 2034 A 35 TYR HD% A 35 TYR H 1.0 . 4.12 2226 2035 A 72 LEU HBy A 35 TYR HD% 1.0 . 3.51 2227 2036 A 35 TYR HD% A 72 LEU HDx% 1.0 . 4.08 2228 2037 A 34 TYR HD% A 73 ARG HDx 1.0 . 4.46 2229 2037 A 73 ARG HDy A 34 TYR HD% 1.0 . 4.46 2230 2038 A 68 PHE HD% A 67 THR HA 1.0 . 4.55 2231 2039 A 42 TYR HD% A 42 TYR H 1.0 . 4.40 2232 2040 A 42 TYR HD% A 43 ILE H 1.0 . 3.50 2233 2041 A 42 TYR HD% A 42 TYR HA 1.0 . 2.91 2234 2042 A 42 TYR HD% A 65 LEU HA 1.0 . 3.34 2235 2043 A 42 TYR HD% A 85 HIS HBy 1.0 . 5.08 2236 2044 A 42 TYR HD% A 85 HIS HBx 1.0 . 4.43 2237 2045 A 42 TYR HD% A 44 LEU HG 1.0 . 3.92 2238 2046 A 42 TYR HD% A 44 LEU HDy% 1.0 . 3.00 2239 2047 A 42 TYR HD% A 65 LEU HDx% 1.0 . 3.20 2240 2048 A 42 TYR HD% A 44 LEU HDx% 1.0 . 4.38 2241 2049 A 13 LEU HDx% A 42 TYR HD% 1.0 . 4.09 2242 2050 A 42 TYR HD% A 18 VAL HGx% 1.0 . 3.10 2243 2050 A 42 TYR HD% A 18 VAL HGy% 1.0 . 3.10 2244 2051 A 68 PHE HD% A 68 PHE H 1.0 . 3.53 2245 2052 A 68 PHE HD% A 68 PHE HA 1.0 . 3.42 2246 2053 A 68 PHE HD% A 69 PRO HDx 1.0 . 4.24 2247 2054 A 68 PHE HD% A 39 GLU HBx 1.0 . 3.84 2248 2055 A 68 PHE HD% A 72 LEU HDx% 1.0 . 3.02 2249 2056 A 68 PHE HD% A 3 VAL HGy% 1.0 . 3.61 2250 2057 A 68 PHE HD% A 66 VAL HGx% 1.0 . 3.99 2251 2058 A 68 PHE HD% A 50 VAL HGy% 1.0 . 4.83 2252 2059 A 68 PHE HD% A 3 VAL HGx% 1.0 . 3.71 2253 2060 A 42 TYR HD% A 44 LEU HA 1.0 . 5.17 2254 2061 A 8 PRO HDy A 42 TYR HD% 1.0 . 4.97 2255 2062 A 39 GLU H A 89 PHE HE% 1.0 . 5.29 2256 2063 A 40 THR HB A 89 PHE HE% 1.0 . 3.60 2257 2064 A 38 ASN HBy A 89 PHE HE% 1.0 . 3.96 2258 2065 A 40 THR HG2% A 89 PHE HE% 1.0 . 4.20 2259 2066 A 67 THR HG2% A 89 PHE HE% 1.0 . 3.52 2260 2067 A 38 ASN HBx A 89 PHE HE% 1.0 . 4.29 2261 2068 A 38 ASN HA A 89 PHE HE% 1.0 . 4.49 2262 2069 A 40 THR H A 89 PHE HE% 1.0 . 3.92 2263 2070 A 40 THR HA A 89 PHE HE% 1.0 . 5.09 2264 2071 A 31 PHE HE% A 26 LYS HDy 1.0 . 3.70 2265 2072 A 31 PHE HE% A 78 VAL HGy% 1.0 . 3.15 2266 2073 A 31 PHE HE% A 26 LYS HDx 1.0 . 3.53 2267 2074 A 31 PHE HE% A 31 PHE H 1.0 . 5.07 2268 2075 A 31 PHE HE% A 33 TRP HBy 1.0 . 4.02 2269 2076 A 68 PHE H A 68 PHE HE% 1.0 . 5.15 2270 2077 A 39 GLU HBx A 68 PHE HE% 1.0 . 5.49 2271 2078 A 72 LEU HDx% A 68 PHE HE% 1.0 . 4.89 2272 2079 A 50 VAL HGy% A 68 PHE HE% 1.0 . 3.23 2273 2080 A 3 VAL HGx% A 68 PHE HE% 1.0 . 3.65 2274 2081 A 66 VAL HB A 68 PHE HE% 1.0 . 3.85 2275 2082 A 67 THR HG2% A 89 PHE HZ 1.0 . 3.09 2276 2083 A 38 ASN HBx A 89 PHE HZ 1.0 . 4.57 2277 2084 A 38 ASN HBy A 89 PHE HZ 1.0 . 4.15 2278 2085 A 24 TRP HBy A 24 TRP HD1 1.0 . 3.38 2279 2086 A 86 TYR HE% A 24 TRP HD1 1.0 . 4.24 2280 2087 A 24 TRP HA A 24 TRP HD1 1.0 . 3.84 2281 2088 A 25 GLU H A 24 TRP HD1 1.0 . 4.69 2282 2089 A 31 PHE HZ A 76 TRP HE3 1.0 . 3.95 2283 2090 A 31 PHE HZ A 76 TRP HBy 1.0 . 4.75 2284 2091 A 31 PHE HZ A 78 VAL HGy% 1.0 . 3.80 2285 2092 A 31 PHE HZ A 26 LYS HDx 1.0 . 4.12 2286 2093 A 50 VAL HGx% A 68 PHE HZ 1.0 . 3.50 2287 2094 A 76 TRP HE1 A 68 PHE HZ 1.0 . 4.80 2288 2095 A 3 VAL HGx% A 68 PHE HZ 1.0 . 4.99 2289 2096 A 60 ILE HD1% A 68 PHE HZ 1.0 . 3.68 2290 2097 A 66 VAL HB A 68 PHE HZ 1.0 . 5.15 2291 2098 A 50 VAL HGy% A 68 PHE HZ 1.0 . 4.74 2292 2099 A 21 TRP HD1 A 20 LYS HA 1.0 . 5.22 2293 2100 A 21 TRP HD1 A 20 LYS HGy 1.0 . 4.65 2294 2101 A 21 TRP HD1 A 20 LYS HBy 1.0 . 4.22 2295 2102 A 21 TRP H A 21 TRP HD1 1.0 . 3.66 2296 2103 A 21 TRP HD1 A 20 LYS H 1.0 . 4.44 2297 2104 A 21 TRP HD1 A 21 TRP HA 1.0 . 2.94 2298 2105 A 22 PRO HDy A 21 TRP HD1 1.0 . 4.76 2299 2106 A 21 TRP HD1 A 21 TRP HBy 1.0 . 3.89 2300 2107 A 21 TRP HD1 A 20 LYS HBx 1.0 . 3.58 2301 2108 A 21 TRP HD1 A 18 VAL HA 1.0 . 4.23 2302 2109 A 21 TRP HD1 A 18 VAL HGx% 1.0 . 4.72 2303 2109 A 21 TRP HD1 A 18 VAL HGy% 1.0 . 4.72 2304 2110 A 33 TRP H A 76 TRP HD1 1.0 . 3.69 2305 2111 A 76 TRP HD1 A 50 VAL HA 1.0 . 5.14 2306 2112 A 33 TRP HBy A 76 TRP HD1 1.0 . 3.76 2307 2113 A 76 TRP HD1 A 50 VAL HGy% 1.0 . 3.71 2308 2114 A 76 TRP HD1 A 76 TRP HBx 1.0 . 3.81 2309 2115 A 76 TRP HD1 A 76 TRP HA 1.0 . 3.93 2310 2116 A 50 VAL HGx% A 76 TRP HD1 1.0 . 3.87 2311 2117 A 75 ARG HA A 76 TRP HD1 1.0 . 4.57 2312 2118 A 16 LEU HDx% A 21 TRP HH2 1.0 . 3.51 2313 2119 A 21 TRP HH2 A 18 VAL HGx% 1.0 . 3.53 2314 2119 A 18 VAL HGy% A 21 TRP HH2 1.0 . 3.53 2315 2120 A 21 TRP HH2 A 40 THR HB 1.0 . 3.58 2316 2121 A 26 LYS HBx A 24 TRP HH2 1.0 . 3.96 2317 2122 A 26 LYS HBy A 24 TRP HH2 1.0 . 3.69 2318 2123 A 26 LYS HEx A 24 TRP HH2 1.0 . 5.31 2319 2124 A 42 TYR H A 21 TRP HZ3 1.0 . 4.35 2320 2125 A 42 TYR HBy A 21 TRP HZ3 1.0 . 4.80 2321 2126 A 40 THR HG2% A 21 TRP HZ3 1.0 . 3.10 2322 2127 A 65 LEU HDx% A 21 TRP HZ3 1.0 . 3.67 2323 2128 A 21 TRP HZ3 A 18 VAL HGx% 1.0 . 3.62 2324 2128 A 18 VAL HGy% A 21 TRP HZ3 1.0 . 3.62 2325 2129 A 40 THR HB A 21 TRP HZ3 1.0 . 4.19 2326 2130 A 42 TYR HBx A 21 TRP HZ3 1.0 . 5.13 2327 2131 A 33 TRP HA A 33 TRP HZ3 1.0 . 5.10 2328 2132 A 76 TRP HBy A 76 TRP HE3 1.0 . 3.44 2329 2133 A 76 TRP HE3 A 78 VAL HGy% 1.0 . 3.32 2330 2134 A 76 TRP HE3 A 48 VAL HGx% 1.0 . 3.63 2331 2135 A 48 VAL HGy% A 76 TRP HE3 1.0 . 3.89 2332 2136 A 77 LYS H A 76 TRP HE3 1.0 . 5.50 2333 2137 A 76 TRP HBy A 76 TRP HZ3 1.0 . 4.99 2334 2138 A 48 VAL HGx% A 76 TRP HZ3 1.0 . 4.14 2335 2139 A 48 VAL HGy% A 76 TRP HH2 1.0 . 5.05 2336 2140 A 48 VAL HGx% A 76 TRP HH2 1.0 . 4.37 2337 2141 A 48 VAL HGy% A 76 TRP HZ3 1.0 . 3.81 2338 2142 A 85 HIS H A 85 HIS HD2 1.0 . 5.46 2339 2143 A 86 TYR H A 85 HIS HD2 1.0 . 4.52 2340 2144 A 85 HIS HBy A 85 HIS HD2 1.0 . 3.00 2341 2145 A 21 TRP HBx A 85 HIS HD2 1.0 . 3.55 2342 2146 A 85 HIS HD2 A 18 VAL HGx% 1.0 . 3.90 2343 2146 A 18 VAL HGy% A 85 HIS HD2 1.0 . 3.90 2344 2147 A 24 TRP HE3 A 84 LYS H 1.0 . 4.15 2345 2148 A 24 TRP HE3 A 24 TRP H 1.0 . 4.68 2346 2149 A 24 TRP HE3 A 25 GLU HA 1.0 . 3.79 2347 2150 A 24 TRP HE3 A 24 TRP HBx 1.0 . 3.56 2348 2151 A 24 TRP HE3 A 84 LYS HDy 1.0 . 3.24 2349 2152 A 84 LYS HDx A 24 TRP HE3 1.0 . 3.17 2350 2153 A 26 LYS HBx A 24 TRP HE3 1.0 . 4.92 2351 2154 A 35 TYR HE% A 33 TRP HE1 1.0 . 4.01 2352 2155 A 33 TRP HBy A 35 TYR HE% 1.0 . 4.11 2353 2156 A 52 THR H A 58 TYR HE% 1.0 . 5.05 2354 2157 A 58 TYR HE% A 52 THR HG2% 1.0 . 2.68 2355 2158 A 5 ILE HD1% A 58 TYR HE% 1.0 . 3.86 2356 2159 A 58 TYR H A 58 TYR HE% 1.0 . 5.25 2357 2160 A 3 VAL HGx% A 58 TYR HE% 1.0 . 4.09 2358 2161 A 86 TYR HE% A 24 TRP HA 1.0 . 4.29 2359 2162 A 86 TYR HE% A 23 ILE HA 1.0 . 4.59 2360 2163 A 86 TYR HE% A 24 TRP HBy 1.0 . 3.12 2361 2164 A 86 TYR HE% A 22 PRO HBy 1.0 . 4.50 2362 2165 A 86 TYR HE% A 88 LEU HG 1.0 . 2.90 2363 2166 A 86 TYR HE% A 22 PRO HGx 1.0 . 4.38 2364 2167 A 86 TYR HE% A 88 LEU HDx% 1.0 . 3.15 2365 2168 A 86 TYR HE% A 88 LEU HDy% 1.0 . 3.67 2366 2169 A 86 TYR HE% A 23 ILE H 1.0 . 4.90 2367 2170 A 34 TYR HE% A 36 ASP HA 1.0 . 3.47 2368 2171 A 71 GLY HAy A 34 TYR HE% 1.0 . 3.43 2369 2172 A 34 TYR HE% A 36 ASP HBx 1.0 . 3.64 2370 2173 A 68 PHE HZ A 76 TRP HZ2 1.0 . 2.97 2371 2174 A 48 VAL HGx% A 76 TRP HZ2 1.0 . 4.57 2372 2175 A 50 VAL HGx% A 76 TRP HZ2 1.0 . 4.41 2373 2176 A 21 TRP HZ2 A 16 LEU HA 1.0 . 4.25 2374 2177 A 21 TRP HZ2 A 16 LEU HBx 1.0 . 2.95 2375 2178 A 16 LEU HDx% A 21 TRP HZ2 1.0 . 3.84 2376 2179 A 21 TRP HZ2 A 18 VAL HGx% 1.0 . 3.55 2377 2179 A 18 VAL HGy% A 21 TRP HZ2 1.0 . 3.55 2378 2180 A 26 LYS HEx A 24 TRP HZ2 1.0 . 4.49 2379 2181 A 26 LYS HEy A 24 TRP HZ2 1.0 . 4.51 2380 2182 A 26 LYS HGx A 24 TRP HZ2 1.0 . 3.76 2381 2183 A 26 LYS HGy A 24 TRP HZ2 1.0 . 5.01 2382 2184 A 26 LYS HBx A 24 TRP HZ2 1.0 . 4.08 2383 2185 A 23 ILE HG1y A 85 HIS HE1 1.0 . 3.85 2384 2186 A 44 LEU HDx% A 85 HIS HE1 1.0 . 4.20 2385 2187 A 19 GLU HA A 85 HIS HE1 1.0 . 3.44 2386 2188 A 85 HIS HE1 A 19 GLU HBx 1.0 . 4.79 2387 2188 A 19 GLU HBy A 85 HIS HE1 1.0 . 4.79 2388 2189 A 23 ILE HD1% A 85 HIS HE1 1.0 . 3.33 stop_ save_