data_nef_c18292_2lq5 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 VAL start . . 2 A 2 GLN middle . . 3 A 3 PRO middle . false 4 A 4 LEU middle . . 5 A 5 ALA middle . . 6 A 6 THR middle . . 7 A 7 GLN middle . . 8 A 8 CYS middle . . 9 A 9 PHE middle . . 10 A 10 GLN middle . . 11 A 11 LEU middle . . 12 A 12 SER middle . . 13 A 13 ASN middle . . 14 A 14 MET middle . . 15 A 15 PHE middle . . 16 A 16 ASN middle . . 17 A 17 PRO middle . false 18 A 18 GLN middle . . 19 A 19 THR middle . . 20 A 20 GLU middle . . 21 A 21 GLU middle . . 22 A 22 GLU middle . . 23 A 23 VAL middle . . 24 A 24 GLY middle . false 25 A 25 TRP middle . . 26 A 26 ASP middle . . 27 A 27 THR middle . . 28 A 28 GLU middle . . 29 A 29 ILE middle . . 30 A 30 LYS middle . . 31 A 31 ASP middle . . 32 A 32 ASP middle . . 33 A 33 VAL middle . . 34 A 34 ILE middle . . 35 A 35 GLU middle . . 36 A 36 GLU middle . . 37 A 37 CYS middle . . 38 A 38 ASN middle . . 39 A 39 LYS middle . . 40 A 40 HIS middle . . 41 A 41 GLY middle . false 42 A 42 GLY middle . false 43 A 43 VAL middle . . 44 A 44 ILE middle . . 45 A 45 HIS middle . . 46 A 46 ILE middle . . 47 A 47 TYR middle . . 48 A 48 VAL middle . . 49 A 49 ASP middle . . 50 A 50 LYS middle . . 51 A 51 ASN middle . . 52 A 52 SER middle . . 53 A 53 ALA middle . . 54 A 54 GLN middle . . 55 A 55 GLY middle . false 56 A 56 ASN middle . . 57 A 57 VAL middle . . 58 A 58 TYR middle . . 59 A 59 VAL middle . . 60 A 60 LYS middle . . 61 A 61 CYS middle . . 62 A 62 PRO middle . false 63 A 63 SER middle . . 64 A 64 ILE middle . . 65 A 65 ALA middle . . 66 A 66 ALA middle . . 67 A 67 ALA middle . . 68 A 68 ILE middle . . 69 A 69 ALA middle . . 70 A 70 ALA middle . . 71 A 71 VAL middle . . 72 A 72 ASN middle . . 73 A 73 ALA middle . . 74 A 74 LEU middle . . 75 A 75 HIS middle . . 76 A 76 GLY middle . false 77 A 77 ARG middle . . 78 A 78 TRP middle . . 79 A 79 PHE middle . . 80 A 80 ALA middle . . 81 A 81 GLY middle . false 82 A 82 LYS middle . . 83 A 83 MET middle . . 84 A 84 ILE middle . . 85 A 85 THR middle . . 86 A 86 ALA middle . . 87 A 87 ALA middle . . 88 A 88 TYR middle . . 89 A 89 VAL middle . . 90 A 90 PRO middle . false 91 A 91 LEU middle . . 92 A 92 PRO middle . false 93 A 93 THR middle . . 94 A 94 TYR middle . . 95 A 95 HIS middle . . 96 A 96 ASN middle . . 97 A 97 LEU middle . . 98 A 98 PHE middle . . 99 A 99 PRO middle . false 100 A 100 ASP middle . . 101 A 101 SER middle . . 102 A 102 MET middle . . 103 A 103 THR middle . . 104 A 104 ALA middle . . 105 A 105 THR middle . . 106 A 106 GLN middle . . 107 A 107 LEU middle . . 108 A 108 LEU middle . . 109 A 109 VAL middle . . 110 A 110 PRO middle . false 111 A 111 SER middle . . 112 A 112 ARG middle . . 113 A 113 ARG end . . stop_ save_ save_assigned_chem_shift_list_1 _nef_chemical_shift_list.sf_category nef_chemical_shift_list _nef_chemical_shift_list.sf_framecode assigned_chem_shift_list_1 loop_ _nef_chemical_shift.chain_code _nef_chemical_shift.sequence_code _nef_chemical_shift.residue_name _nef_chemical_shift.atom_name _nef_chemical_shift.element _nef_chemical_shift.isotope_number _nef_chemical_shift.value _nef_chemical_shift.value_uncertainty A 2 GLN H H 1 8.471 0.000 A 2 GLN HA H 1 4.571 0.000 A 2 GLN HBy H 1 2.026 0.000 A 2 GLN HBx H 1 1.893 0.000 A 2 GLN HGx H 1 2.341 0.000 A 2 GLN HGy H 1 2.341 0.000 A 2 GLN CA C 13 50.502 0.000 A 2 GLN CB C 13 26.254 0.000 A 2 GLN CG C 13 30.994 0.000 A 2 GLN N N 15 125.719 0.000 A 2 GLN NE2 N 15 107.000 0.000 A 3 PRO HA H 1 4.311 0.000 A 3 PRO HBx H 1 1.831 0.000 A 3 PRO HBy H 1 2.250 0.000 A 3 PRO HDx H 1 3.640 0.000 A 3 PRO HDy H 1 3.769 0.000 A 3 PRO HGx H 1 1.967 0.000 A 3 PRO HGy H 1 1.967 0.000 A 3 PRO C C 13 173.634 0.000 A 3 PRO CA C 13 60.349 0.000 A 3 PRO CB C 13 29.678 0.000 A 3 PRO CD C 13 47.933 0.000 A 3 PRO CG C 13 24.814 0.000 A 4 LEU H H 1 7.912 0.000 A 4 LEU HA H 1 4.133 0.000 A 4 LEU HBx H 1 1.460 0.000 A 4 LEU HDx% H 1 0.778 0.000 A 4 LEU HDy% H 1 0.838 0.000 A 4 LEU HG H 1 1.515 0.000 A 4 LEU C C 13 172.946 0.000 A 4 LEU CA C 13 51.900 0.000 A 4 LEU CB C 13 39.711 0.000 A 4 LEU CDx C 13 21.034 0.000 A 4 LEU CDy C 13 22.177 0.000 A 4 LEU CG C 13 24.354 0.000 A 4 LEU N N 15 122.253 0.000 A 5 ALA H H 1 7.415 0.000 A 5 ALA HA H 1 2.385 0.000 A 5 ALA HB% H 1 0.802 0.000 A 5 ALA C C 13 174.164 0.000 A 5 ALA CA C 13 49.205 0.000 A 5 ALA CB C 13 17.058 0.000 A 5 ALA N N 15 122.619 0.000 A 6 THR H H 1 6.601 0.000 A 6 THR HA H 1 4.393 0.000 A 6 THR HB H 1 4.426 0.000 A 6 THR HG2% H 1 1.113 0.000 A 6 THR C C 13 168.908 0.000 A 6 THR CA C 13 56.371 0.000 A 6 THR CB C 13 68.874 0.000 A 6 THR CG2 C 13 19.581 0.000 A 6 THR N N 15 112.768 0.000 A 7 GLN H H 1 8.547 0.000 A 7 GLN HA H 1 4.344 0.000 A 7 GLN HBx H 1 1.852 0.000 A 7 GLN HBy H 1 2.065 0.000 A 7 GLN HE2y H 1 7.694 0.000 A 7 GLN HE2x H 1 7.067 0.000 A 7 GLN HGx H 1 2.053 0.000 A 7 GLN HGy H 1 2.274 0.000 A 7 GLN C C 13 171.068 0.000 A 7 GLN CA C 13 53.795 0.000 A 7 GLN CB C 13 28.252 0.000 A 7 GLN CG C 13 32.880 0.000 A 7 GLN N N 15 111.707 0.000 A 7 GLN NE2 N 15 110.091 0.000 A 8 CYS H H 1 8.558 0.000 A 8 CYS HA H 1 5.389 0.000 A 8 CYS HBx H 1 2.357 0.000 A 8 CYS HBy H 1 3.042 0.000 A 8 CYS C C 13 171.026 0.000 A 8 CYS CA C 13 53.652 0.000 A 8 CYS CB C 13 29.416 0.000 A 8 CYS N N 15 118.669 0.000 A 9 PHE H H 1 9.533 0.000 A 9 PHE HA H 1 5.369 0.000 A 9 PHE HBy H 1 2.677 0.000 A 9 PHE HBx H 1 2.444 0.000 A 9 PHE HDx H 1 6.598 0.000 A 9 PHE HDy H 1 6.598 0.000 A 9 PHE HEx H 1 6.994 0.000 A 9 PHE HEy H 1 6.994 0.000 A 9 PHE HZ H 1 6.713 0.000 A 9 PHE C C 13 168.313 0.000 A 9 PHE CA C 13 53.341 0.000 A 9 PHE CB C 13 39.008 0.000 A 9 PHE CDx C 13 127.424 0.000 A 9 PHE CDy C 13 127.424 0.000 A 9 PHE CEx C 13 125.834 0.000 A 9 PHE CEy C 13 125.834 0.000 A 9 PHE CZ C 13 124.379 0.000 A 9 PHE N N 15 117.117 0.000 A 10 GLN H H 1 9.299 0.000 A 10 GLN HA H 1 5.063 0.000 A 10 GLN HBy H 1 1.776 0.000 A 10 GLN HBx H 1 1.668 0.000 A 10 GLN HE2y H 1 6.720 0.000 A 10 GLN HE2x H 1 6.207 0.000 A 10 GLN HGy H 1 1.525 0.000 A 10 GLN HGx H 1 1.321 0.000 A 10 GLN C C 13 173.280 0.000 A 10 GLN CA C 13 50.242 0.000 A 10 GLN CB C 13 30.263 0.000 A 10 GLN CG C 13 30.597 0.000 A 10 GLN N N 15 118.344 0.000 A 10 GLN NE2 N 15 109.500 0.000 A 11 LEU H H 1 9.679 0.000 A 11 LEU HA H 1 5.474 0.000 A 11 LEU HBy H 1 1.731 0.000 A 11 LEU HBx H 1 1.483 0.000 A 11 LEU HDx% H 1 0.879 0.000 A 11 LEU HDy% H 1 0.859 0.000 A 11 LEU HG H 1 1.728 0.000 A 11 LEU C C 13 173.987 0.000 A 11 LEU CA C 13 50.153 0.000 A 11 LEU CB C 13 41.779 0.000 A 11 LEU CDx C 13 21.041 0.000 A 11 LEU CDy C 13 23.687 0.000 A 11 LEU CG C 13 24.292 0.000 A 11 LEU N N 15 128.664 0.000 A 12 SER H H 1 8.717 0.000 A 12 SER HA H 1 4.877 0.000 A 12 SER HBx H 1 3.514 0.000 A 12 SER HBy H 1 3.661 0.000 A 12 SER C C 13 170.086 0.000 A 12 SER CA C 13 54.698 0.000 A 12 SER CB C 13 63.054 0.000 A 12 SER N N 15 115.661 0.000 A 13 ASN H H 1 8.563 0.000 A 13 ASN HA H 1 4.165 0.000 A 13 ASN HBy H 1 3.076 0.000 A 13 ASN HBx H 1 2.860 0.000 A 13 ASN HD2x H 1 6.722 0.000 A 13 ASN HD2y H 1 7.436 0.000 A 13 ASN C C 13 171.867 0.000 A 13 ASN CA C 13 51.269 0.000 A 13 ASN CB C 13 34.988 0.000 A 13 ASN N N 15 114.812 0.000 A 13 ASN ND2 N 15 112.719 0.000 A 14 MET H H 1 8.261 0.000 A 14 MET HA H 1 4.258 0.000 A 14 MET HBx H 1 1.979 0.000 A 14 MET HE% H 1 1.490 0.000 A 14 MET HGy H 1 2.217 0.000 A 14 MET HGx H 1 2.108 0.000 A 14 MET C C 13 171.935 0.000 A 14 MET CA C 13 53.020 0.000 A 14 MET CB C 13 29.746 0.000 A 14 MET CE C 13 13.566 0.000 A 14 MET CG C 13 30.729 0.000 A 14 MET N N 15 113.100 0.000 A 15 PHE H H 1 6.804 0.000 A 15 PHE HA H 1 4.485 0.000 A 15 PHE HBx H 1 2.648 0.000 A 15 PHE HBy H 1 3.329 0.000 A 15 PHE HDx H 1 6.573 0.000 A 15 PHE HDy H 1 6.573 0.000 A 15 PHE C C 13 170.024 0.000 A 15 PHE CA C 13 53.080 0.000 A 15 PHE CB C 13 36.300 0.000 A 15 PHE CDx C 13 128.080 0.000 A 15 PHE CDy C 13 128.080 0.000 A 15 PHE N N 15 108.769 0.000 A 16 ASN H H 1 8.681 0.000 A 16 ASN HA H 1 4.932 0.000 A 16 ASN HBy H 1 2.898 0.000 A 16 ASN HBx H 1 2.656 0.000 A 16 ASN HD2y H 1 7.515 0.000 A 16 ASN HD2x H 1 6.916 0.000 A 16 ASN CA C 13 47.510 0.000 A 16 ASN CB C 13 36.512 0.000 A 16 ASN N N 15 117.922 0.000 A 16 ASN ND2 N 15 112.564 0.000 A 17 PRO HA H 1 4.102 0.000 A 17 PRO HBx H 1 2.412 0.000 A 17 PRO HDx H 1 3.685 0.000 A 17 PRO HDy H 1 3.771 0.000 A 17 PRO HGy H 1 1.987 0.000 A 17 PRO C C 13 174.773 0.000 A 17 PRO CA C 13 61.933 0.000 A 17 PRO CB C 13 29.557 0.000 A 17 PRO CD C 13 48.148 0.000 A 17 PRO CG C 13 24.942 0.000 A 18 GLN H H 1 7.934 0.000 A 18 GLN HA H 1 4.146 0.000 A 18 GLN HBy H 1 2.022 0.000 A 18 GLN HBx H 1 1.853 0.000 A 18 GLN HE2x H 1 6.691 0.000 A 18 GLN HE2y H 1 7.414 0.000 A 18 GLN HGx H 1 2.163 0.000 A 18 GLN HGy H 1 2.222 0.000 A 18 GLN C C 13 174.423 0.000 A 18 GLN CA C 13 54.067 0.000 A 18 GLN CB C 13 26.326 0.000 A 18 GLN CG C 13 31.637 0.000 A 18 GLN N N 15 116.462 0.000 A 18 GLN NE2 N 15 112.232 0.000 A 19 THR H H 1 7.723 0.000 A 19 THR HA H 1 4.176 0.000 A 19 THR HB H 1 4.170 0.000 A 19 THR HG2% H 1 1.058 0.000 A 19 THR C C 13 171.908 0.000 A 19 THR CA C 13 59.509 0.000 A 19 THR CB C 13 66.360 0.000 A 19 THR CG2 C 13 19.156 0.000 A 19 THR N N 15 112.362 0.000 A 20 GLU H H 1 7.312 0.000 A 20 GLU HA H 1 3.658 0.000 A 20 GLU HBx H 1 1.314 0.000 A 20 GLU HBy H 1 1.314 0.000 A 20 GLU HGx H 1 1.408 0.000 A 20 GLU HGy H 1 1.561 0.000 A 20 GLU C C 13 173.311 0.000 A 20 GLU CA C 13 53.164 0.000 A 20 GLU CB C 13 25.837 0.000 A 20 GLU CG C 13 31.247 0.000 A 20 GLU N N 15 120.326 0.000 A 21 GLU H H 1 8.011 0.000 A 21 GLU HA H 1 4.162 0.000 A 21 GLU HBy H 1 1.975 0.000 A 21 GLU HBx H 1 1.719 0.000 A 21 GLU HGx H 1 2.026 0.000 A 21 GLU HGy H 1 2.058 0.000 A 21 GLU C C 13 173.747 0.000 A 21 GLU CA C 13 53.873 0.000 A 21 GLU CB C 13 28.445 0.000 A 21 GLU CG C 13 33.327 0.000 A 21 GLU N N 15 120.796 0.000 A 22 GLU H H 1 8.039 0.000 A 22 GLU HA H 1 4.393 0.000 A 22 GLU HBy H 1 2.056 0.000 A 22 GLU HBx H 1 1.969 0.000 A 22 GLU HGx H 1 2.239 0.000 A 22 GLU HGy H 1 2.308 0.000 A 22 GLU C C 13 173.536 0.000 A 22 GLU CA C 13 52.982 0.000 A 22 GLU CB C 13 28.012 0.000 A 22 GLU CG C 13 33.262 0.000 A 22 GLU N N 15 121.370 0.000 A 23 VAL H H 1 8.447 0.000 A 23 VAL HA H 1 3.901 0.000 A 23 VAL HB H 1 1.986 0.000 A 23 VAL HGx% H 1 1.026 0.000 A 23 VAL HGy% H 1 0.916 0.000 A 23 VAL C C 13 175.077 0.000 A 23 VAL CA C 13 61.540 0.000 A 23 VAL CB C 13 29.361 0.000 A 23 VAL CGx C 13 18.311 0.000 A 23 VAL CGy C 13 18.311 0.000 A 23 VAL N N 15 123.340 0.000 A 24 GLY H H 1 9.087 0.000 A 24 GLY HAy H 1 4.171 0.000 A 24 GLY HAx H 1 3.751 0.000 A 24 GLY C C 13 173.717 0.000 A 24 GLY CA C 13 42.667 0.000 A 24 GLY N N 15 114.476 0.000 A 25 TRP HA H 1 4.214 0.000 A 25 TRP HBx H 1 3.294 0.000 A 25 TRP HBy H 1 3.448 0.000 A 25 TRP HD1 H 1 7.576 0.000 A 25 TRP HE1 H 1 10.053 0.000 A 25 TRP HE3 H 1 6.863 0.000 A 25 TRP HH2 H 1 6.092 0.000 A 25 TRP HZ2 H 1 7.146 0.000 A 25 TRP HZ3 H 1 5.352 0.000 A 25 TRP C C 13 174.056 0.000 A 25 TRP CA C 13 56.093 0.000 A 25 TRP CB C 13 25.016 0.000 A 25 TRP CD1 C 13 123.964 0.000 A 25 TRP CE3 C 13 115.045 0.000 A 25 TRP CH2 C 13 119.205 0.000 A 25 TRP CZ2 C 13 109.100 0.000 A 25 TRP CZ3 C 13 116.189 0.000 A 25 TRP N N 15 121.382 0.000 A 25 TRP NE1 N 15 129.748 0.000 A 26 ASP H H 1 7.939 0.000 A 26 ASP HA H 1 3.261 0.000 A 26 ASP HBy H 1 1.507 0.000 A 26 ASP HBx H 1 0.172 0.000 A 26 ASP C C 13 174.709 0.000 A 26 ASP CA C 13 52.705 0.000 A 26 ASP CB C 13 34.503 0.000 A 26 ASP N N 15 118.789 0.000 A 27 THR H H 1 7.103 0.000 A 27 THR HA H 1 3.552 0.000 A 27 THR HB H 1 4.018 0.000 A 27 THR HG2% H 1 1.051 0.000 A 27 THR C C 13 172.390 0.000 A 27 THR CA C 13 63.307 0.000 A 27 THR CB C 13 65.331 0.000 A 27 THR CG2 C 13 19.806 0.000 A 27 THR N N 15 118.934 0.000 A 28 GLU H H 1 7.473 0.000 A 28 GLU HA H 1 3.978 0.000 A 28 GLU HBx H 1 2.056 0.000 A 28 GLU HBy H 1 2.056 0.000 A 28 GLU HGy H 1 2.287 0.000 A 28 GLU HGx H 1 2.222 0.000 A 28 GLU C C 13 175.447 0.000 A 28 GLU CA C 13 56.760 0.000 A 28 GLU CB C 13 26.418 0.000 A 28 GLU CG C 13 33.002 0.000 A 28 GLU N N 15 120.484 0.000 A 29 ILE H H 1 7.113 0.000 A 29 ILE HA H 1 3.773 0.000 A 29 ILE HB H 1 1.668 0.000 A 29 ILE HD1% H 1 0.931 0.000 A 29 ILE HG1x H 1 1.422 0.000 A 29 ILE HG1y H 1 1.422 0.000 A 29 ILE HG2% H 1 0.727 0.000 A 29 ILE C C 13 174.605 0.000 A 29 ILE CA C 13 61.243 0.000 A 29 ILE CB C 13 35.267 0.000 A 29 ILE CD1 C 13 10.706 0.000 A 29 ILE CG1 C 13 25.917 0.000 A 29 ILE CG2 C 13 15.321 0.000 A 29 ILE N N 15 116.961 0.000 A 30 LYS H H 1 7.480 0.000 A 30 LYS HA H 1 3.430 0.000 A 30 LYS HBx H 1 1.683 0.000 A 30 LYS HBy H 1 1.683 0.000 A 30 LYS HDx H 1 1.458 0.000 A 30 LYS HDy H 1 1.458 0.000 A 30 LYS HEx H 1 2.636 0.000 A 30 LYS HEy H 1 2.636 0.000 A 30 LYS HGy H 1 1.231 0.000 A 30 LYS HGx H 1 1.055 0.000 A 30 LYS C C 13 174.886 0.000 A 30 LYS CA C 13 57.872 0.000 A 30 LYS CB C 13 29.680 0.000 A 30 LYS CD C 13 27.022 0.000 A 30 LYS CE C 13 39.113 0.000 A 30 LYS CG C 13 22.926 0.000 A 30 LYS N N 15 118.457 0.000 A 31 ASP H H 1 8.334 0.000 A 31 ASP HA H 1 4.233 0.000 A 31 ASP HBy H 1 2.758 0.000 A 31 ASP HBx H 1 2.395 0.000 A 31 ASP C C 13 175.558 0.000 A 31 ASP CA C 13 55.137 0.000 A 31 ASP CB C 13 36.829 0.000 A 31 ASP N N 15 118.630 0.000 A 32 ASP H H 1 8.189 0.000 A 32 ASP HA H 1 4.277 0.000 A 32 ASP HBx H 1 2.554 0.000 A 32 ASP HBy H 1 2.989 0.000 A 32 ASP C C 13 176.966 0.000 A 32 ASP CA C 13 54.829 0.000 A 32 ASP CB C 13 37.331 0.000 A 32 ASP N N 15 120.576 0.000 A 33 VAL H H 1 8.069 0.000 A 33 VAL HA H 1 3.444 0.000 A 33 VAL HB H 1 2.034 0.000 A 33 VAL HGx% H 1 0.805 0.000 A 33 VAL HGy% H 1 0.711 0.000 A 33 VAL C C 13 175.529 0.000 A 33 VAL CA C 13 64.511 0.000 A 33 VAL CB C 13 28.920 0.000 A 33 VAL CGy C 13 20.998 0.000 A 33 VAL CGx C 13 20.311 0.000 A 33 VAL N N 15 121.083 0.000 A 34 ILE H H 1 8.887 0.000 A 34 ILE HA H 1 3.272 0.000 A 34 ILE HB H 1 1.614 0.000 A 34 ILE HD1% H 1 0.565 0.000 A 34 ILE HG1x H 1 1.797 0.000 A 34 ILE HG1y H 1 1.797 0.000 A 34 ILE HG2% H 1 0.491 0.000 A 34 ILE C C 13 174.723 0.000 A 34 ILE CA C 13 63.723 0.000 A 34 ILE CB C 13 35.949 0.000 A 34 ILE CD1 C 13 12.186 0.000 A 34 ILE CG1 C 13 26.669 0.000 A 34 ILE CG2 C 13 14.639 0.000 A 34 ILE N N 15 122.145 0.000 A 35 GLU H H 1 8.565 0.000 A 35 GLU HA H 1 3.830 0.000 A 35 GLU HBy H 1 2.113 0.000 A 35 GLU HBx H 1 2.004 0.000 A 35 GLU HGy H 1 2.317 0.000 A 35 GLU HGx H 1 2.123 0.000 A 35 GLU C C 13 176.747 0.000 A 35 GLU CA C 13 57.183 0.000 A 35 GLU CB C 13 26.969 0.000 A 35 GLU CG C 13 34.059 0.000 A 35 GLU N N 15 117.927 0.000 A 36 GLU H H 1 7.523 0.000 A 36 GLU HA H 1 4.012 0.000 A 36 GLU HBy H 1 2.254 0.000 A 36 GLU HBx H 1 2.034 0.000 A 36 GLU HGx H 1 2.349 0.000 A 36 GLU C C 13 176.604 0.000 A 36 GLU CA C 13 56.357 0.000 A 36 GLU CB C 13 26.612 0.000 A 36 GLU CG C 13 33.315 0.000 A 36 GLU N N 15 117.299 0.000 A 37 CYS H H 1 8.754 0.000 A 37 CYS HA H 1 4.141 0.000 A 37 CYS HBy H 1 2.805 0.000 A 37 CYS HBx H 1 2.612 0.000 A 37 CYS C C 13 175.888 0.000 A 37 CYS CA C 13 61.915 0.000 A 37 CYS CB C 13 24.513 0.000 A 37 CYS N N 15 116.308 0.000 A 38 ASN H H 1 8.800 0.000 A 38 ASN HA H 1 4.452 0.000 A 38 ASN HBx H 1 2.834 0.000 A 38 ASN HBy H 1 2.834 0.000 A 38 ASN HD2x H 1 6.641 0.000 A 38 ASN HD2y H 1 7.661 0.000 A 38 ASN C C 13 174.340 0.000 A 38 ASN CA C 13 52.249 0.000 A 38 ASN CB C 13 34.488 0.000 A 38 ASN N N 15 121.598 0.000 A 38 ASN ND2 N 15 107.322 0.000 A 39 LYS H H 1 7.427 0.000 A 39 LYS HA H 1 4.002 0.000 A 39 LYS HBy H 1 1.420 0.000 A 39 LYS HBx H 1 0.994 0.000 A 39 LYS HDx H 1 1.574 0.000 A 39 LYS HEx H 1 2.782 0.000 A 39 LYS HEy H 1 2.858 0.000 A 39 LYS HGx H 1 1.190 0.000 A 39 LYS HGy H 1 1.462 0.000 A 39 LYS C C 13 174.388 0.000 A 39 LYS CA C 13 55.239 0.000 A 39 LYS CB C 13 29.477 0.000 A 39 LYS CD C 13 26.956 0.000 A 39 LYS CE C 13 39.559 0.000 A 39 LYS CG C 13 22.717 0.000 A 39 LYS N N 15 119.297 0.000 A 40 HIS H H 1 7.453 0.000 A 40 HIS HA H 1 4.896 0.000 A 40 HIS HBy H 1 3.459 0.000 A 40 HIS HBx H 1 3.164 0.000 A 40 HIS HD2 H 1 7.015 0.000 A 40 HIS HE1 H 1 7.650 0.000 A 40 HIS C C 13 171.895 0.000 A 40 HIS CA C 13 51.758 0.000 A 40 HIS CB C 13 28.775 0.000 A 40 HIS CD2 C 13 116.300 0.000 A 40 HIS CE1 C 13 134.054 0.000 A 40 HIS N N 15 114.421 0.000 A 41 GLY H H 1 7.599 0.000 A 41 GLY HAy H 1 4.418 0.000 A 41 GLY HAx H 1 3.690 0.000 A 41 GLY C C 13 171.376 0.000 A 41 GLY CA C 13 42.388 0.000 A 41 GLY N N 15 106.587 0.000 A 42 GLY H H 1 7.942 0.000 A 42 GLY HAy H 1 4.427 0.000 A 42 GLY HAx H 1 3.816 0.000 A 42 GLY C C 13 169.120 0.000 A 42 GLY CA C 13 41.518 0.000 A 42 GLY N N 15 107.066 0.000 A 43 VAL H H 1 8.679 0.000 A 43 VAL HA H 1 4.527 0.000 A 43 VAL HB H 1 2.100 0.000 A 43 VAL HGx% H 1 0.875 0.000 A 43 VAL HGy% H 1 0.862 0.000 A 43 VAL C C 13 169.861 0.000 A 43 VAL CA C 13 58.404 0.000 A 43 VAL CB C 13 31.692 0.000 A 43 VAL CGy C 13 21.571 0.000 A 43 VAL CGx C 13 19.382 0.000 A 43 VAL N N 15 114.640 0.000 A 44 ILE H H 1 8.587 0.000 A 44 ILE HA H 1 4.918 0.000 A 44 ILE HB H 1 1.760 0.000 A 44 ILE HD1% H 1 0.660 0.000 A 44 ILE HG1y H 1 0.947 0.000 A 44 ILE HG1x H 1 0.444 0.000 A 44 ILE HG2% H 1 0.579 0.000 A 44 ILE C C 13 172.246 0.000 A 44 ILE CA C 13 57.770 0.000 A 44 ILE CB C 13 37.197 0.000 A 44 ILE CD1 C 13 10.858 0.000 A 44 ILE CG1 C 13 23.634 0.000 A 44 ILE CG2 C 13 16.014 0.000 A 44 ILE N N 15 115.792 0.000 A 45 HIS H H 1 7.791 0.000 A 45 HIS HA H 1 4.426 0.000 A 45 HIS HBy H 1 3.048 0.000 A 45 HIS HBx H 1 2.774 0.000 A 45 HIS HD2 H 1 6.968 0.000 A 45 HIS HE1 H 1 8.016 0.000 A 45 HIS C C 13 168.452 0.000 A 45 HIS CA C 13 55.548 0.000 A 45 HIS CB C 13 31.632 0.000 A 45 HIS CD2 C 13 112.834 0.000 A 45 HIS CE1 C 13 133.033 0.000 A 45 HIS N N 15 122.684 0.000 A 46 ILE H H 1 7.391 0.000 A 46 ILE HA H 1 5.120 0.000 A 46 ILE HB H 1 1.215 0.000 A 46 ILE HD1% H 1 0.632 0.000 A 46 ILE HG1x H 1 1.589 0.000 A 46 ILE HG1y H 1 1.589 0.000 A 46 ILE HG2% H 1 0.493 0.000 A 46 ILE C C 13 170.171 0.000 A 46 ILE CA C 13 56.063 0.000 A 46 ILE CB C 13 39.753 0.000 A 46 ILE CD1 C 13 13.665 0.000 A 46 ILE CG1 C 13 26.268 0.000 A 46 ILE CG2 C 13 13.688 0.000 A 46 ILE N N 15 123.917 0.000 A 47 TYR H H 1 9.055 0.000 A 47 TYR HA H 1 4.370 0.000 A 47 TYR HBx H 1 2.113 0.000 A 47 TYR HDx H 1 6.963 0.000 A 47 TYR HDy H 1 6.963 0.000 A 47 TYR HEy H 1 6.873 0.000 A 47 TYR HEx H 1 6.814 0.000 A 47 TYR C C 13 171.029 0.000 A 47 TYR CA C 13 54.800 0.000 A 47 TYR CB C 13 39.851 0.000 A 47 TYR CDx C 13 128.709 0.000 A 47 TYR CDy C 13 128.709 0.000 A 47 TYR CEy C 13 113.194 0.000 A 47 TYR CEx C 13 112.858 0.000 A 47 TYR N N 15 125.750 0.000 A 48 VAL H H 1 8.290 0.000 A 48 VAL HA H 1 3.869 0.000 A 48 VAL HB H 1 1.609 0.000 A 48 VAL HGx% H 1 0.633 0.000 A 48 VAL HGy% H 1 0.357 0.000 A 48 VAL C C 13 170.949 0.000 A 48 VAL CA C 13 59.328 0.000 A 48 VAL CB C 13 29.022 0.000 A 48 VAL CGx C 13 18.134 0.000 A 48 VAL CGy C 13 19.165 0.000 A 48 VAL N N 15 129.720 0.000 A 49 ASP H H 1 8.274 0.000 A 49 ASP HA H 1 4.703 0.000 A 49 ASP HBy H 1 3.573 0.000 A 49 ASP HBx H 1 2.664 0.000 A 49 ASP C C 13 173.851 0.000 A 49 ASP CA C 13 50.349 0.000 A 49 ASP CB C 13 38.139 0.000 A 49 ASP N N 15 125.287 0.000 A 50 LYS H H 1 8.090 0.000 A 50 LYS HA H 1 4.096 0.000 A 50 LYS HBx H 1 1.831 0.000 A 50 LYS HDx H 1 1.486 0.000 A 50 LYS HEx H 1 2.664 0.000 A 50 LYS HEy H 1 2.784 0.000 A 50 LYS HGy H 1 1.327 0.000 A 50 LYS HGx H 1 1.126 0.000 A 50 LYS C C 13 173.120 0.000 A 50 LYS CA C 13 56.284 0.000 A 50 LYS CB C 13 29.763 0.000 A 50 LYS CD C 13 26.555 0.000 A 50 LYS CE C 13 39.101 0.000 A 50 LYS CG C 13 22.144 0.000 A 50 LYS N N 15 125.099 0.000 A 51 ASN H H 1 8.272 0.000 A 51 ASN HA H 1 4.931 0.000 A 51 ASN HBy H 1 3.006 0.000 A 51 ASN HBx H 1 2.801 0.000 A 51 ASN HD2x H 1 6.958 0.000 A 51 ASN HD2y H 1 7.756 0.000 A 51 ASN C C 13 172.685 0.000 A 51 ASN CA C 13 50.744 0.000 A 51 ASN CB C 13 37.036 0.000 A 51 ASN N N 15 114.422 0.000 A 51 ASN ND2 N 15 113.667 0.000 A 52 SER H H 1 7.920 0.000 A 52 SER HA H 1 4.410 0.000 A 52 SER HBy H 1 4.267 0.000 A 52 SER HBx H 1 4.200 0.000 A 52 SER C C 13 172.628 0.000 A 52 SER CA C 13 55.035 0.000 A 52 SER CB C 13 61.604 0.000 A 52 SER N N 15 115.013 0.000 A 53 ALA H H 1 8.837 0.000 A 53 ALA HA H 1 4.088 0.000 A 53 ALA HB% H 1 1.392 0.000 A 53 ALA C C 13 175.951 0.000 A 53 ALA CA C 13 51.409 0.000 A 53 ALA CB C 13 15.878 0.000 A 53 ALA N N 15 129.163 0.000 A 54 GLN H H 1 7.836 0.000 A 54 GLN HA H 1 4.202 0.000 A 54 GLN HBy H 1 2.164 0.000 A 54 GLN HBx H 1 1.830 0.000 A 54 GLN HE2y H 1 7.515 0.000 A 54 GLN HE2x H 1 6.790 0.000 A 54 GLN HGy H 1 2.372 0.000 A 54 GLN HGx H 1 2.286 0.000 A 54 GLN C C 13 173.388 0.000 A 54 GLN CA C 13 52.993 0.000 A 54 GLN CB C 13 26.360 0.000 A 54 GLN CG C 13 31.997 0.000 A 54 GLN N N 15 113.081 0.000 A 54 GLN NE2 N 15 112.272 0.000 A 55 GLY H H 1 7.191 0.000 A 55 GLY HAx H 1 1.799 0.000 A 55 GLY HAy H 1 2.932 0.000 A 55 GLY CA C 13 45.087 0.000 A 55 GLY N N 15 108.967 0.000 A 56 ASN H H 1 7.614 0.000 A 56 ASN HA H 1 5.520 0.000 A 56 ASN HBx H 1 2.150 0.000 A 56 ASN HBy H 1 2.781 0.000 A 56 ASN HD2y H 1 7.486 0.000 A 56 ASN HD2x H 1 6.661 0.000 A 56 ASN C C 13 172.166 0.000 A 56 ASN CA C 13 50.462 0.000 A 56 ASN CB C 13 38.400 0.000 A 56 ASN N N 15 114.505 0.000 A 56 ASN ND2 N 15 110.609 0.000 A 57 VAL H H 1 8.354 0.000 A 57 VAL HA H 1 4.692 0.000 A 57 VAL HB H 1 1.801 0.000 A 57 VAL HGx% H 1 1.005 0.000 A 57 VAL HGy% H 1 0.700 0.000 A 57 VAL C C 13 170.667 0.000 A 57 VAL CA C 13 58.163 0.000 A 57 VAL CB C 13 33.663 0.000 A 57 VAL CGy C 13 21.051 0.000 A 57 VAL CGx C 13 18.789 0.000 A 57 VAL N N 15 119.859 0.000 A 58 TYR H H 1 9.275 0.000 A 58 TYR HA H 1 4.937 0.000 A 58 TYR HBy H 1 3.279 0.000 A 58 TYR HBx H 1 2.556 0.000 A 58 TYR HDx H 1 7.178 0.000 A 58 TYR HDy H 1 7.178 0.000 A 58 TYR HEx H 1 6.867 0.000 A 58 TYR HEy H 1 6.867 0.000 A 58 TYR C C 13 170.605 0.000 A 58 TYR CA C 13 55.354 0.000 A 58 TYR CB C 13 37.775 0.000 A 58 TYR CDx C 13 128.164 0.000 A 58 TYR CDy C 13 128.164 0.000 A 58 TYR CEx C 13 112.788 0.000 A 58 TYR N N 15 128.478 0.000 A 59 VAL H H 1 8.860 0.000 A 59 VAL HA H 1 4.462 0.000 A 59 VAL HB H 1 -0.061 0.000 A 59 VAL HGx% H 1 0.299 0.000 A 59 VAL HGy% H 1 0.606 0.000 A 59 VAL C C 13 170.875 0.000 A 59 VAL CA C 13 58.527 0.000 A 59 VAL CB C 13 32.611 0.000 A 59 VAL CGx C 13 19.671 0.000 A 59 VAL CGy C 13 21.854 0.000 A 59 VAL N N 15 123.117 0.000 A 60 LYS H H 1 8.668 0.000 A 60 LYS HA H 1 4.745 0.000 A 60 LYS HBy H 1 1.666 0.000 A 60 LYS HBx H 1 1.294 0.000 A 60 LYS HEx H 1 2.767 0.000 A 60 LYS HEy H 1 3.029 0.000 A 60 LYS HGx H 1 1.058 0.000 A 60 LYS C C 13 173.399 0.000 A 60 LYS CA C 13 52.207 0.000 A 60 LYS CB C 13 34.244 0.000 A 60 LYS CG C 13 22.144 0.000 A 60 LYS N N 15 123.266 0.000 A 61 CYS H H 1 9.207 0.000 A 61 CYS HA H 1 4.740 0.000 A 61 CYS HBx H 1 2.852 0.000 A 61 CYS HBy H 1 3.268 0.000 A 61 CYS CA C 13 56.393 0.000 A 61 CYS CB C 13 27.416 0.000 A 61 CYS N N 15 125.267 0.000 A 62 PRO HA H 1 4.266 0.000 A 62 PRO HBx H 1 2.152 0.000 A 62 PRO HDx H 1 3.171 0.000 A 62 PRO HDy H 1 3.561 0.000 A 62 PRO HGx H 1 1.843 0.000 A 62 PRO HGy H 1 1.966 0.000 A 62 PRO C C 13 171.443 0.000 A 62 PRO CA C 13 61.167 0.000 A 62 PRO CB C 13 29.450 0.000 A 62 PRO CD C 13 47.875 0.000 A 62 PRO CG C 13 24.861 0.000 A 63 SER H H 1 6.990 0.000 A 63 SER HA H 1 4.606 0.000 A 63 SER HBx H 1 3.892 0.000 A 63 SER HBy H 1 4.140 0.000 A 63 SER C C 13 171.147 0.000 A 63 SER CA C 13 53.259 0.000 A 63 SER CB C 13 63.378 0.000 A 63 SER N N 15 108.558 0.000 A 64 ILE H H 1 8.786 0.000 A 64 ILE HA H 1 3.462 0.000 A 64 ILE HB H 1 1.601 0.000 A 64 ILE HD1% H 1 0.820 0.000 A 64 ILE HG1y H 1 1.645 0.000 A 64 ILE HG1x H 1 0.679 0.000 A 64 ILE HG2% H 1 0.629 0.000 A 64 ILE C C 13 174.204 0.000 A 64 ILE CA C 13 62.955 0.000 A 64 ILE CB C 13 35.297 0.000 A 64 ILE CD1 C 13 10.787 0.000 A 64 ILE CG1 C 13 27.380 0.000 A 64 ILE CG2 C 13 14.328 0.000 A 64 ILE N N 15 122.885 0.000 A 65 ALA H H 1 8.287 0.000 A 65 ALA HA H 1 3.890 0.000 A 65 ALA HB% H 1 1.352 0.000 A 65 ALA C C 13 177.926 0.000 A 65 ALA CA C 13 52.772 0.000 A 65 ALA CB C 13 15.552 0.000 A 65 ALA N N 15 120.653 0.000 A 66 ALA H H 1 7.952 0.000 A 66 ALA HA H 1 4.344 0.000 A 66 ALA HB% H 1 1.467 0.000 A 66 ALA C C 13 176.063 0.000 A 66 ALA CA C 13 52.108 0.000 A 66 ALA CB C 13 16.106 0.000 A 66 ALA N N 15 119.802 0.000 A 67 ALA H H 1 7.332 0.000 A 67 ALA HA H 1 4.398 0.000 A 67 ALA HB% H 1 1.818 0.000 A 67 ALA C C 13 175.824 0.000 A 67 ALA CA C 13 53.135 0.000 A 67 ALA CB C 13 17.020 0.000 A 67 ALA N N 15 121.626 0.000 A 68 ILE H H 1 8.655 0.000 A 68 ILE HA H 1 4.185 0.000 A 68 ILE HB H 1 1.584 0.000 A 68 ILE HD1% H 1 0.601 0.000 A 68 ILE HG1y H 1 1.689 0.000 A 68 ILE HG1x H 1 0.971 0.000 A 68 ILE HG2% H 1 0.720 0.000 A 68 ILE C C 13 176.163 0.000 A 68 ILE CA C 13 61.323 0.000 A 68 ILE CB C 13 36.657 0.000 A 68 ILE CD1 C 13 12.021 0.000 A 68 ILE CG1 C 13 25.803 0.000 A 68 ILE CG2 C 13 14.284 0.000 A 68 ILE N N 15 117.793 0.000 A 69 ALA H H 1 7.377 0.000 A 69 ALA HA H 1 3.836 0.000 A 69 ALA HB% H 1 1.337 0.000 A 69 ALA C C 13 177.325 0.000 A 69 ALA CA C 13 51.781 0.000 A 69 ALA CB C 13 15.767 0.000 A 69 ALA N N 15 119.051 0.000 A 70 ALA H H 1 7.798 0.000 A 70 ALA HA H 1 3.544 0.000 A 70 ALA HB% H 1 1.462 0.000 A 70 ALA C C 13 176.012 0.000 A 70 ALA CA C 13 52.966 0.000 A 70 ALA CB C 13 16.740 0.000 A 70 ALA N N 15 121.378 0.000 A 71 VAL H H 1 8.662 0.000 A 71 VAL HA H 1 2.524 0.000 A 71 VAL HB H 1 1.812 0.000 A 71 VAL HGx% H 1 0.207 0.000 A 71 VAL HGy% H 1 -0.397 0.000 A 71 VAL C C 13 175.408 0.000 A 71 VAL CA C 13 64.993 0.000 A 71 VAL CB C 13 28.184 0.000 A 71 VAL CGx C 13 17.712 0.000 A 71 VAL CGy C 13 20.798 0.000 A 71 VAL N N 15 119.944 0.000 A 72 ASN H H 1 8.061 0.000 A 72 ASN HA H 1 4.244 0.000 A 72 ASN HBx H 1 2.601 0.000 A 72 ASN HBy H 1 2.690 0.000 A 72 ASN HD2y H 1 7.531 0.000 A 72 ASN HD2x H 1 6.741 0.000 A 72 ASN C C 13 174.490 0.000 A 72 ASN CA C 13 52.776 0.000 A 72 ASN CB C 13 35.394 0.000 A 72 ASN N N 15 114.981 0.000 A 72 ASN ND2 N 15 112.391 0.000 A 73 ALA H H 1 7.230 0.000 A 73 ALA HA H 1 4.162 0.000 A 73 ALA HB% H 1 1.305 0.000 A 73 ALA C C 13 176.245 0.000 A 73 ALA CA C 13 51.058 0.000 A 73 ALA CB C 13 17.457 0.000 A 73 ALA N N 15 120.308 0.000 A 74 LEU H H 1 7.856 0.000 A 74 LEU HA H 1 4.021 0.000 A 74 LEU HBy H 1 1.494 0.000 A 74 LEU HBx H 1 1.162 0.000 A 74 LEU HDx% H 1 0.706 0.000 A 74 LEU HDy% H 1 0.762 0.000 A 74 LEU C C 13 173.863 0.000 A 74 LEU CA C 13 53.853 0.000 A 74 LEU CB C 13 41.552 0.000 A 74 LEU CDx C 13 20.387 0.000 A 74 LEU CDy C 13 23.129 0.000 A 74 LEU N N 15 118.156 0.000 A 75 HIS H H 1 8.434 0.000 A 75 HIS HA H 1 3.830 0.000 A 75 HIS HBx H 1 2.813 0.000 A 75 HIS HBy H 1 3.026 0.000 A 75 HIS HD2 H 1 6.754 0.000 A 75 HIS HE1 H 1 7.684 0.000 A 75 HIS C C 13 174.851 0.000 A 75 HIS CA C 13 56.621 0.000 A 75 HIS CB C 13 28.299 0.000 A 75 HIS CD2 C 13 112.841 0.000 A 75 HIS N N 15 117.126 0.000 A 76 GLY H H 1 8.418 0.000 A 76 GLY HAx H 1 3.290 0.000 A 76 GLY HAy H 1 3.909 0.000 A 76 GLY CA C 13 42.221 0.000 A 76 GLY N N 15 116.761 0.000 A 77 ARG H H 1 7.385 0.000 A 77 ARG HA H 1 4.248 0.000 A 77 ARG HBy H 1 1.833 0.000 A 77 ARG HDx H 1 3.090 0.000 A 77 ARG HDy H 1 3.188 0.000 A 77 ARG HGx H 1 1.596 0.000 A 77 ARG HGy H 1 1.755 0.000 A 77 ARG C C 13 173.536 0.000 A 77 ARG CA C 13 53.029 0.000 A 77 ARG CB C 13 29.058 0.000 A 77 ARG CD C 13 41.143 0.000 A 77 ARG CG C 13 24.777 0.000 A 77 ARG N N 15 120.430 0.000 A 78 TRP H H 1 8.463 0.000 A 78 TRP HA H 1 4.941 0.000 A 78 TRP HBx H 1 2.929 0.000 A 78 TRP HBy H 1 3.035 0.000 A 78 TRP HD1 H 1 7.178 0.000 A 78 TRP HE1 H 1 9.938 0.000 A 78 TRP HE3 H 1 7.031 0.000 A 78 TRP HH2 H 1 6.905 0.000 A 78 TRP HZ2 H 1 7.329 0.000 A 78 TRP HZ3 H 1 7.068 0.000 A 78 TRP C C 13 173.888 0.000 A 78 TRP CA C 13 54.234 0.000 A 78 TRP CB C 13 26.923 0.000 A 78 TRP CD1 C 13 122.476 0.000 A 78 TRP CE3 C 13 114.954 0.000 A 78 TRP CH2 C 13 117.027 0.000 A 78 TRP CZ2 C 13 109.577 0.000 A 78 TRP CZ3 C 13 119.561 0.000 A 78 TRP N N 15 122.989 0.000 A 78 TRP NE1 N 15 128.789 0.000 A 79 PHE H H 1 9.500 0.000 A 79 PHE HA H 1 4.637 0.000 A 79 PHE HBx H 1 2.825 0.000 A 79 PHE HBy H 1 2.979 0.000 A 79 PHE HDx H 1 7.211 0.000 A 79 PHE HDy H 1 7.211 0.000 A 79 PHE HEx H 1 7.281 0.000 A 79 PHE HEy H 1 7.281 0.000 A 79 PHE HZ H 1 7.201 0.000 A 79 PHE C C 13 171.696 0.000 A 79 PHE CA C 13 54.624 0.000 A 79 PHE CB C 13 39.577 0.000 A 79 PHE CDx C 13 127.329 0.000 A 79 PHE CDy C 13 127.329 0.000 A 79 PHE CEx C 13 126.838 0.000 A 79 PHE CEy C 13 126.838 0.000 A 79 PHE CZ C 13 124.910 0.000 A 79 PHE N N 15 126.899 0.000 A 80 ALA H H 1 8.840 0.000 A 80 ALA HA H 1 3.705 0.000 A 80 ALA HB% H 1 0.955 0.000 A 80 ALA C C 13 174.560 0.000 A 80 ALA CA C 13 49.993 0.000 A 80 ALA CB C 13 14.479 0.000 A 80 ALA N N 15 130.285 0.000 A 81 GLY H H 1 8.268 0.000 A 81 GLY HAy H 1 4.077 0.000 A 81 GLY HAx H 1 3.584 0.000 A 81 GLY C C 13 171.087 0.000 A 81 GLY CA C 13 42.891 0.000 A 81 GLY N N 15 102.771 0.000 A 82 LYS H H 1 7.791 0.000 A 82 LYS HA H 1 4.469 0.000 A 82 LYS HBx H 1 1.681 0.000 A 82 LYS HBy H 1 1.798 0.000 A 82 LYS HEx H 1 2.790 0.000 A 82 LYS HGy H 1 1.291 0.000 A 82 LYS C C 13 170.688 0.000 A 82 LYS CA C 13 52.029 0.000 A 82 LYS CB C 13 32.776 0.000 A 82 LYS CE C 13 39.448 0.000 A 82 LYS CG C 13 21.827 0.000 A 82 LYS N N 15 120.307 0.000 A 83 MET H H 1 7.953 0.000 A 83 MET HA H 1 3.871 0.000 A 83 MET HBy H 1 1.307 0.000 A 83 MET HBx H 1 0.436 0.000 A 83 MET HE% H 1 1.641 0.000 A 83 MET HGy H 1 1.577 0.000 A 83 MET HGx H 1 1.229 0.000 A 83 MET C C 13 173.474 0.000 A 83 MET CA C 13 51.968 0.000 A 83 MET CB C 13 30.275 0.000 A 83 MET CE C 13 14.047 0.000 A 83 MET CG C 13 28.478 0.000 A 83 MET N N 15 121.212 0.000 A 84 ILE H H 1 8.683 0.000 A 84 ILE HA H 1 4.230 0.000 A 84 ILE HB H 1 1.971 0.000 A 84 ILE HD1% H 1 0.688 0.000 A 84 ILE HG1x H 1 1.215 0.000 A 84 ILE HG1y H 1 1.483 0.000 A 84 ILE HG2% H 1 0.801 0.000 A 84 ILE C C 13 173.459 0.000 A 84 ILE CA C 13 58.832 0.000 A 84 ILE CB C 13 36.088 0.000 A 84 ILE CD1 C 13 11.679 0.000 A 84 ILE CG1 C 13 24.843 0.000 A 84 ILE CG2 C 13 16.410 0.000 A 84 ILE N N 15 128.512 0.000 A 85 THR H H 1 7.318 0.000 A 85 THR HA H 1 4.825 0.000 A 85 THR HB H 1 4.102 0.000 A 85 THR HG2% H 1 0.926 0.000 A 85 THR CA C 13 56.520 0.000 A 85 THR CB C 13 68.803 0.000 A 85 THR CG2 C 13 18.873 0.000 A 85 THR N N 15 115.456 0.000 A 86 ALA H H 1 10.712 0.000 A 86 ALA HA H 1 5.542 0.000 A 86 ALA HB% H 1 1.054 0.000 A 86 ALA C C 13 173.070 0.000 A 86 ALA CA C 13 47.491 0.000 A 86 ALA CB C 13 22.241 0.000 A 86 ALA N N 15 128.004 0.000 A 87 ALA H H 1 8.413 0.000 A 87 ALA HA H 1 4.499 0.000 A 87 ALA HB% H 1 1.262 0.000 A 87 ALA C C 13 173.781 0.000 A 87 ALA CA C 13 47.989 0.000 A 87 ALA CB C 13 19.981 0.000 A 87 ALA N N 15 122.902 0.000 A 88 TYR H H 1 8.311 0.000 A 88 TYR HA H 1 4.723 0.000 A 88 TYR HBy H 1 3.282 0.000 A 88 TYR HBx H 1 2.585 0.000 A 88 TYR HDx H 1 7.233 0.000 A 88 TYR HDy H 1 7.233 0.000 A 88 TYR HEx H 1 6.564 0.000 A 88 TYR HEy H 1 6.564 0.000 A 88 TYR C C 13 173.615 0.000 A 88 TYR CA C 13 57.556 0.000 A 88 TYR CB C 13 36.474 0.000 A 88 TYR CDx C 13 128.341 0.000 A 88 TYR CDy C 13 128.341 0.000 A 88 TYR CEx C 13 113.789 0.000 A 88 TYR CEy C 13 113.789 0.000 A 88 TYR N N 15 120.267 0.000 A 89 VAL H H 1 8.420 0.000 A 89 VAL HA H 1 4.696 0.000 A 89 VAL HB H 1 1.807 0.000 A 89 VAL HGx% H 1 1.103 0.000 A 89 VAL HGy% H 1 1.244 0.000 A 89 VAL CA C 13 55.899 0.000 A 89 VAL CB C 13 33.445 0.000 A 89 VAL CGy C 13 18.958 0.000 A 89 VAL CGx C 13 18.236 0.000 A 89 VAL N N 15 123.298 0.000 A 90 PRO HA H 1 4.450 0.000 A 90 PRO HBx H 1 1.870 0.000 A 90 PRO HDy H 1 3.990 0.000 A 90 PRO HDx H 1 3.543 0.000 A 90 PRO HGx H 1 2.157 0.000 A 90 PRO HGy H 1 2.157 0.000 A 90 PRO CA C 13 60.310 0.000 A 90 PRO CB C 13 30.489 0.000 A 90 PRO CD C 13 49.130 0.000 A 90 PRO CG C 13 25.663 0.000 A 91 LEU H H 1 8.997 0.000 A 91 LEU HA H 1 3.975 0.000 A 91 LEU HBx H 1 1.588 0.000 A 91 LEU HBy H 1 1.588 0.000 A 91 LEU HDx% H 1 0.818 0.000 A 91 LEU HDy% H 1 0.699 0.000 A 91 LEU HG H 1 1.215 0.000 A 91 LEU CA C 13 56.691 0.000 A 91 LEU CB C 13 37.139 0.000 A 91 LEU CDx C 13 22.243 0.000 A 91 LEU CDy C 13 22.263 0.000 A 91 LEU CG C 13 24.703 0.000 A 91 LEU N N 15 126.649 0.000 A 92 PRO HA H 1 4.211 0.000 A 92 PRO HBy H 1 2.264 0.000 A 92 PRO HBx H 1 1.798 0.000 A 92 PRO HDx H 1 3.527 0.000 A 92 PRO HDy H 1 3.738 0.000 A 92 PRO HGx H 1 1.923 0.000 A 92 PRO HGy H 1 2.021 0.000 A 92 PRO C C 13 177.175 0.000 A 92 PRO CA C 13 63.104 0.000 A 92 PRO CB C 13 27.973 0.000 A 92 PRO CD C 13 47.464 0.000 A 92 PRO CG C 13 26.007 0.000 A 93 THR H H 1 6.528 0.000 A 93 THR HA H 1 3.827 0.000 A 93 THR HB H 1 4.131 0.000 A 93 THR HG2% H 1 1.105 0.000 A 93 THR C C 13 172.669 0.000 A 93 THR CA C 13 63.096 0.000 A 93 THR CB C 13 65.968 0.000 A 93 THR CG2 C 13 18.741 0.000 A 93 THR N N 15 112.839 0.000 A 94 TYR H H 1 8.263 0.000 A 94 TYR HA H 1 3.515 0.000 A 94 TYR HBx H 1 2.595 0.000 A 94 TYR HBy H 1 2.978 0.000 A 94 TYR HDx H 1 6.773 0.000 A 94 TYR HDy H 1 6.773 0.000 A 94 TYR C C 13 174.953 0.000 A 94 TYR CA C 13 60.012 0.000 A 94 TYR CB C 13 37.588 0.000 A 94 TYR CDx C 13 127.954 0.000 A 94 TYR CDy C 13 127.954 0.000 A 94 TYR N N 15 125.195 0.000 A 95 HIS H H 1 8.529 0.000 A 95 HIS HA H 1 4.187 0.000 A 95 HIS HBx H 1 3.024 0.000 A 95 HIS HBy H 1 3.024 0.000 A 95 HIS C C 13 173.780 0.000 A 95 HIS CA C 13 53.471 0.000 A 95 HIS CB C 13 26.528 0.000 A 95 HIS N N 15 114.994 0.000 A 96 ASN H H 1 7.343 0.000 A 96 ASN HA H 1 4.315 0.000 A 96 ASN HBy H 1 2.753 0.000 A 96 ASN HBx H 1 2.627 0.000 A 96 ASN HD2x H 1 6.703 0.000 A 96 ASN HD2y H 1 6.703 0.000 A 96 ASN C C 13 175.849 0.000 A 96 ASN CA C 13 52.814 0.000 A 96 ASN CB C 13 36.453 0.000 A 96 ASN N N 15 116.599 0.000 A 96 ASN ND2 N 15 112.153 0.000 A 97 LEU H H 1 7.299 0.000 A 97 LEU HA H 1 3.406 0.000 A 97 LEU HBx H 1 -0.502 0.000 A 97 LEU HBy H 1 0.788 0.000 A 97 LEU HDx% H 1 0.297 0.000 A 97 LEU HG H 1 1.105 0.000 A 97 LEU CA C 13 54.399 0.000 A 97 LEU CB C 13 39.614 0.000 A 97 LEU CDx C 13 19.562 0.000 A 97 LEU CG C 13 23.489 0.000 A 97 LEU N N 15 119.316 0.000 A 98 PHE H H 1 7.795 0.000 A 98 PHE HA H 1 4.696 0.000 A 98 PHE HBx H 1 2.370 0.000 A 98 PHE HBy H 1 2.484 0.000 A 98 PHE HDx H 1 6.014 0.000 A 98 PHE HDy H 1 6.014 0.000 A 98 PHE HEx H 1 5.762 0.000 A 98 PHE HEy H 1 5.762 0.000 A 98 PHE HZ H 1 5.923 0.000 A 98 PHE CA C 13 54.399 0.000 A 98 PHE CB C 13 35.380 0.000 A 98 PHE CDy C 13 132.118 0.000 A 98 PHE CDx C 13 129.000 0.000 A 98 PHE CEy C 13 126.011 0.000 A 98 PHE CZ C 13 123.448 0.000 A 98 PHE N N 15 113.688 0.000 A 99 PRO HA H 1 4.430 0.000 A 99 PRO HBy H 1 2.290 0.000 A 99 PRO HBx H 1 1.862 0.000 A 99 PRO HDx H 1 3.175 0.000 A 99 PRO HDy H 1 3.561 0.000 A 99 PRO HGy H 1 1.941 0.000 A 99 PRO C C 13 176.469 0.000 A 99 PRO CA C 13 63.174 0.000 A 99 PRO CB C 13 28.822 0.000 A 99 PRO CD C 13 47.283 0.000 A 99 PRO CG C 13 24.856 0.000 A 100 ASP H H 1 8.897 0.000 A 100 ASP HA H 1 4.306 0.000 A 100 ASP HBy H 1 2.689 0.000 A 100 ASP HBx H 1 2.556 0.000 A 100 ASP C C 13 174.886 0.000 A 100 ASP CA C 13 53.064 0.000 A 100 ASP CB C 13 36.736 0.000 A 100 ASP N N 15 115.482 0.000 A 101 SER H H 1 8.057 0.000 A 101 SER HA H 1 3.876 0.000 A 101 SER HBx H 1 2.515 0.000 A 101 SER HBy H 1 3.562 0.000 A 101 SER C C 13 173.539 0.000 A 101 SER CA C 13 58.183 0.000 A 101 SER CB C 13 61.403 0.000 A 101 SER N N 15 114.743 0.000 A 102 MET H H 1 7.319 0.000 A 102 MET HA H 1 3.340 0.000 A 102 MET HBy H 1 1.829 0.000 A 102 MET HBx H 1 1.670 0.000 A 102 MET HE% H 1 1.913 0.000 A 102 MET HGy H 1 2.016 0.000 A 102 MET HGx H 1 1.363 0.000 A 102 MET C C 13 174.488 0.000 A 102 MET CA C 13 56.606 0.000 A 102 MET CB C 13 31.312 0.000 A 102 MET CE C 13 14.041 0.000 A 102 MET CG C 13 28.964 0.000 A 102 MET N N 15 122.103 0.000 A 103 THR H H 1 7.216 0.000 A 103 THR HA H 1 4.318 0.000 A 103 THR HB H 1 4.438 0.000 A 103 THR HG2% H 1 1.010 0.000 A 103 THR C C 13 171.121 0.000 A 103 THR CA C 13 57.203 0.000 A 103 THR CB C 13 65.753 0.000 A 103 THR CG2 C 13 18.967 0.000 A 103 THR N N 15 104.780 0.000 A 104 ALA H H 1 6.605 0.000 A 104 ALA HA H 1 4.347 0.000 A 104 ALA HB% H 1 1.418 0.000 A 104 ALA C C 13 174.370 0.000 A 104 ALA CA C 13 50.244 0.000 A 104 ALA CB C 13 16.077 0.000 A 104 ALA N N 15 125.795 0.000 A 105 THR H H 1 8.698 0.000 A 105 THR HA H 1 4.390 0.000 A 105 THR HB H 1 4.194 0.000 A 105 THR HG2% H 1 1.071 0.000 A 105 THR C C 13 171.563 0.000 A 105 THR CA C 13 58.977 0.000 A 105 THR CB C 13 68.537 0.000 A 105 THR CG2 C 13 18.729 0.000 A 105 THR N N 15 111.482 0.000 A 106 GLN H H 1 7.944 0.000 A 106 GLN HA H 1 4.294 0.000 A 106 GLN HBx H 1 1.949 0.000 A 106 GLN HBy H 1 1.949 0.000 A 106 GLN HE2x H 1 6.810 0.000 A 106 GLN HE2y H 1 7.457 0.000 A 106 GLN HGx H 1 2.341 0.000 A 106 GLN HGy H 1 2.341 0.000 A 106 GLN C C 13 172.973 0.000 A 106 GLN CA C 13 52.710 0.000 A 106 GLN CB C 13 27.282 0.000 A 106 GLN CG C 13 31.046 0.000 A 106 GLN N N 15 123.003 0.000 A 106 GLN NE2 N 15 112.668 0.000 A 107 LEU H H 1 8.390 0.000 A 107 LEU HA H 1 4.328 0.000 A 107 LEU HBx H 1 1.567 0.000 A 107 LEU HBy H 1 1.760 0.000 A 107 LEU HDx% H 1 0.816 0.000 A 107 LEU HDy% H 1 0.900 0.000 A 107 LEU HG H 1 1.722 0.000 A 107 LEU C C 13 174.110 0.000 A 107 LEU CA C 13 52.798 0.000 A 107 LEU CB C 13 37.829 0.000 A 107 LEU CDx C 13 20.455 0.000 A 107 LEU CDy C 13 22.835 0.000 A 107 LEU CG C 13 24.878 0.000 A 107 LEU N N 15 124.765 0.000 A 108 LEU H H 1 8.480 0.000 A 108 LEU HA H 1 4.259 0.000 A 108 LEU HBx H 1 1.266 0.000 A 108 LEU HBy H 1 1.451 0.000 A 108 LEU HDx% H 1 0.593 0.000 A 108 LEU HDy% H 1 0.764 0.000 A 108 LEU HG H 1 1.594 0.000 A 108 LEU C C 13 173.870 0.000 A 108 LEU CA C 13 52.092 0.000 A 108 LEU CB C 13 39.253 0.000 A 108 LEU CDy C 13 23.237 0.000 A 108 LEU CDx C 13 19.151 0.000 A 108 LEU CG C 13 24.228 0.000 A 108 LEU N N 15 122.332 0.000 A 109 VAL H H 1 8.007 0.000 A 109 VAL HA H 1 4.444 0.000 A 109 VAL HB H 1 1.987 0.000 A 109 VAL HGx% H 1 0.871 0.000 A 109 VAL HGy% H 1 0.766 0.000 A 109 VAL CA C 13 55.640 0.000 A 109 VAL CB C 13 31.153 0.000 A 109 VAL CGy C 13 18.551 0.000 A 109 VAL CGx C 13 16.524 0.000 A 109 VAL N N 15 115.421 0.000 A 110 PRO HA H 1 4.361 0.000 A 110 PRO HBx H 1 2.024 0.000 A 110 PRO HBy H 1 2.024 0.000 A 110 PRO HDy H 1 3.555 0.000 A 110 PRO HDx H 1 3.490 0.000 A 110 PRO HGx H 1 1.695 0.000 A 110 PRO HGy H 1 2.062 0.000 A 110 PRO C C 13 173.778 0.000 A 110 PRO CA C 13 59.737 0.000 A 110 PRO CB C 13 29.710 0.000 A 110 PRO CD C 13 48.103 0.000 A 110 PRO CG C 13 25.050 0.000 A 111 SER H H 1 9.945 0.000 A 111 SER HA H 1 4.139 0.000 A 111 SER HBx H 1 3.828 0.000 A 111 SER HBy H 1 3.866 0.000 A 111 SER C C 13 172.475 0.000 A 111 SER CA C 13 57.674 0.000 A 111 SER CB C 13 60.580 0.000 A 111 SER N N 15 120.434 0.000 A 112 ARG H H 1 7.861 0.000 A 112 ARG HA H 1 4.253 0.000 A 112 ARG HBx H 1 1.737 0.000 A 112 ARG HBy H 1 1.765 0.000 A 112 ARG HDx H 1 3.093 0.000 A 112 ARG HDy H 1 3.093 0.000 A 112 ARG HGx H 1 1.474 0.000 A 112 ARG C C 13 172.216 0.000 A 112 ARG CA C 13 53.071 0.000 A 112 ARG CB C 13 27.963 0.000 A 112 ARG CD C 13 41.115 0.000 A 112 ARG CG C 13 24.071 0.000 A 112 ARG N N 15 121.013 0.000 A 113 ARG H H 1 7.679 0.000 A 113 ARG HA H 1 4.083 0.000 A 113 ARG HBx H 1 1.757 0.000 A 113 ARG HGy H 1 1.584 0.000 A 113 ARG CA C 13 54.268 0.000 A 113 ARG CB C 13 29.023 0.000 A 113 ARG CD C 13 41.246 0.000 A 113 ARG CG C 13 28.987 0.000 A 113 ARG N N 15 126.950 0.000 stop_ save_ save_DYANA/DIANA_distance_constraints_2 _nef_distance_restraint_list.sf_category nef_distance_restraint_list _nef_distance_restraint_list.sf_framecode DYANA/DIANA_distance_constraints_2 _nef_distance_restraint_list.restraint_origin noe _nef_distance_restraint_list.potential_type upper-bound-parabolic loop_ _nef_distance_restraint.index _nef_distance_restraint.restraint_id _nef_distance_restraint.chain_code_1 _nef_distance_restraint.sequence_code_1 _nef_distance_restraint.residue_name_1 _nef_distance_restraint.atom_name_1 _nef_distance_restraint.chain_code_2 _nef_distance_restraint.sequence_code_2 _nef_distance_restraint.residue_name_2 _nef_distance_restraint.atom_name_2 _nef_distance_restraint.weight _nef_distance_restraint.lower_limit _nef_distance_restraint.upper_limit 1 1 A 79 PHE H A 80 ALA H 1.0 . 5.11 2 2 A 80 ALA H A 79 PHE HD% 1.0 . 4.96 3 3 A 80 ALA H A 79 PHE HBy 1.0 . 4.79 4 4 A 25 TRP HE1 A 50 LYS HBx 1.0 . 5.50 5 5 A 25 TRP HE1 A 24 GLY H 1.0 . 5.50 6 6 A 25 TRP HE1 A 50 LYS HDx 1.0 . 5.00 7 7 A 47 TYR HEx A 48 VAL H 1.0 . 5.50 8 8 A 48 VAL H A 47 TYR HD% 1.0 . 4.55 9 9 A 48 VAL H A 30 LYS HEx 1.0 . 5.40 10 9 A 48 VAL H A 30 LYS HEy 1.0 . 5.40 11 10 A 48 VAL H A 47 TYR HBx 1.0 . 4.63 12 11 A 48 VAL H A 57 VAL HGx% 1.0 . 5.50 13 12 A 48 VAL H A 48 VAL HGy% 1.0 . 4.70 14 13 A 53 ALA H A 55 GLY HAx 1.0 . 5.50 15 14 A 53 ALA H A 52 SER HA 1.0 . 3.07 16 15 A 53 ALA H A 52 SER HBx 1.0 . 3.95 17 16 A 78 TRP HE1 A 83 MET HGx 1.0 . 4.96 18 17 A 78 TRP HE1 A 83 MET HBx 1.0 . 5.50 19 18 A 11 LEU H A 59 VAL H 1.0 . 5.50 20 19 A 11 LEU H A 9 PHE HD% 1.0 . 5.28 21 20 A 11 LEU H A 11 LEU HBy 1.0 . 3.33 22 21 A 11 LEU H A 11 LEU HBx 1.0 . 3.94 23 22 A 11 LEU H A 10 GLN HGx 1.0 . 4.90 24 23 A 11 LEU H A 11 LEU HDy% 1.0 . 4.46 25 24 A 11 LEU H A 9 PHE HE% 1.0 . 5.50 26 25 A 48 VAL H A 58 TYR H 1.0 . 5.24 27 26 A 58 TYR H A 46 ILE HA 1.0 . 5.50 28 27 A 58 TYR H A 58 TYR HD% 1.0 . 3.95 29 28 A 47 TYR HD% A 58 TYR H 1.0 . 5.50 30 29 A 58 TYR H A 57 VAL HA 1.0 . 3.25 31 30 A 58 TYR H A 58 TYR HBx 1.0 . 3.88 32 31 A 47 TYR HBx A 58 TYR H 1.0 . 4.62 33 32 A 58 TYR H A 59 VAL HGx% 1.0 . 5.50 34 33 A 79 PHE H A 84 ILE H 1.0 . 4.93 35 34 A 84 ILE H A 13 ASN HBx 1.0 . 5.50 36 35 A 83 MET HGx A 84 ILE H 1.0 . 4.11 37 36 A 75 HIS H A 86 ALA H 1.0 . 4.77 38 37 A 79 PHE H A 79 PHE HD% 1.0 . 5.50 39 38 A 79 PHE H A 79 PHE HBy 1.0 . 3.80 40 39 A 79 PHE H A 83 MET HGx 1.0 . 5.50 41 40 A 79 PHE H A 78 TRP HE3 1.0 . 5.45 42 41 A 79 PHE H A 84 ILE HG1y 1.0 . 5.50 43 42 A 112 ARG H A 113 ARG H 1.0 . 3.74 44 43 A 113 ARG H A 112 ARG HDx 1.0 . 4.91 45 43 A 113 ARG H A 112 ARG HDy 1.0 . 4.91 46 44 A 113 ARG H A 110 PRO HBx 1.0 . 5.02 47 44 A 113 ARG H A 110 PRO HBy 1.0 . 5.02 48 45 A 113 ARG H A 113 ARG HGy 1.0 . 3.65 49 46 A 113 ARG H A 112 ARG HGx 1.0 . 3.57 50 47 A 91 LEU H A 94 TYR H 1.0 . 5.50 51 48 A 91 LEU H A 93 THR H 1.0 . 5.12 52 49 A 91 LEU H A 94 TYR HBy 1.0 . 5.50 53 50 A 57 VAL HA A 47 TYR H 1.0 . 5.50 54 51 A 58 TYR H A 47 TYR H 1.0 . 4.00 55 52 A 48 VAL H A 47 TYR H 1.0 . 4.81 56 53 A 58 TYR HD% A 47 TYR H 1.0 . 5.50 57 54 A 47 TYR HD% A 47 TYR H 1.0 . 5.17 58 55 A 47 TYR H A 58 TYR HBy 1.0 . 4.91 59 56 A 58 TYR HBx A 47 TYR H 1.0 . 4.36 60 57 A 47 TYR HBx A 47 TYR H 1.0 . 3.75 61 58 A 47 TYR H A 46 ILE HB 1.0 . 4.46 62 59 A 2 GLN H A 3 PRO HDy 1.0 . 5.11 63 60 A 2 GLN H A 3 PRO HDx 1.0 . 5.50 64 61 A 2 GLN H A 2 GLN HGx 1.0 . 4.30 65 61 A 2 GLN H A 2 GLN HGy 1.0 . 4.30 66 62 A 2 GLN H A 2 GLN HBx 1.0 . 3.47 67 63 A 2 GLN H A 4 LEU HDy% 1.0 . 4.62 68 64 A 103 THR H A 104 ALA H 1.0 . 3.26 69 65 A 104 ALA H A 103 THR HA 1.0 . 3.29 70 66 A 9 PHE H A 61 CYS H 1.0 . 5.50 71 67 A 61 CYS H A 60 LYS H 1.0 . 4.85 72 68 A 61 CYS H A 7 GLN HE2y 1.0 . 5.50 73 69 A 61 CYS H A 63 SER H 1.0 . 5.04 74 70 A 61 CYS H A 8 CYS HA 1.0 . 4.11 75 71 A 61 CYS H A 60 LYS HA 1.0 . 3.16 76 72 A 61 CYS H A 7 GLN HA 1.0 . 5.36 77 73 A 61 CYS H A 61 CYS HBy 1.0 . 4.13 78 74 A 61 CYS H A 60 LYS HEy 1.0 . 4.80 79 75 A 61 CYS H A 61 CYS HBx 1.0 . 3.62 80 76 A 61 CYS H A 7 GLN HBy 1.0 . 5.50 81 77 A 61 CYS H A 7 GLN HBx 1.0 . 4.28 82 78 A 61 CYS H A 59 VAL HGy% 1.0 . 4.97 83 79 A 58 TYR H A 49 ASP H 1.0 . 4.97 84 80 A 58 TYR HD% A 49 ASP H 1.0 . 5.10 85 81 A 57 VAL HA A 49 ASP H 1.0 . 3.57 86 82 A 49 ASP H A 48 VAL HB 1.0 . 5.16 87 83 A 49 ASP H A 48 VAL HGx% 1.0 . 4.65 88 84 A 94 TYR H A 94 TYR HD% 1.0 . 4.53 89 85 A 94 TYR H A 93 THR H 1.0 . 3.39 90 86 A 94 TYR H A 93 THR HB 1.0 . 3.46 91 87 A 94 TYR H A 94 TYR HBy 1.0 . 3.52 92 88 A 94 TYR H A 94 TYR HBx 1.0 . 3.35 93 89 A 94 TYR H A 89 VAL HB 1.0 . 5.31 94 90 A 25 TRP HH2 A 50 LYS H 1.0 . 5.50 95 91 A 50 LYS H A 51 ASN H 1.0 . 3.56 96 92 A 50 LYS H A 52 SER H 1.0 . 4.59 97 93 A 50 LYS H A 25 TRP HZ2 1.0 . 5.38 98 94 A 50 LYS H A 51 ASN HD2x 1.0 . 5.50 99 95 A 47 TYR HEx A 50 LYS H 1.0 . 4.60 100 96 A 50 LYS H A 49 ASP HA 1.0 . 3.01 101 97 A 50 LYS H A 49 ASP HBy 1.0 . 5.13 102 98 A 50 LYS H A 50 LYS HEy 1.0 . 5.15 103 99 A 50 LYS H A 50 LYS HEx 1.0 . 4.70 104 100 A 50 LYS HBx A 50 LYS H 1.0 . 3.33 105 101 A 50 LYS HDx A 50 LYS H 1.0 . 4.37 106 102 A 50 LYS H A 50 LYS HGy 1.0 . 3.67 107 103 A 106 GLN H A 107 LEU H 1.0 . 4.78 108 104 A 107 LEU H A 106 GLN HGx 1.0 . 4.27 109 104 A 107 LEU H A 106 GLN HGy 1.0 . 4.27 110 105 A 107 LEU H A 107 LEU HG 1.0 . 3.14 111 106 A 107 LEU H A 107 LEU HBx 1.0 . 3.26 112 107 A 107 LEU H A 44 ILE HG2% 1.0 . 5.05 113 108 A 107 LEU H A 44 ILE HA 1.0 . 5.50 114 109 A 60 LYS H A 46 ILE H 1.0 . 5.50 115 110 A 47 TYR HBx A 46 ILE H 1.0 . 5.50 116 111 A 47 TYR H A 46 ILE H 1.0 . 4.85 117 112 A 46 ILE H A 45 HIS HD2 1.0 . 5.31 118 113 A 46 ILE H A 45 HIS HA 1.0 . 2.90 119 114 A 46 ILE H A 45 HIS HBy 1.0 . 4.39 120 115 A 46 ILE H A 45 HIS HBx 1.0 . 4.87 121 116 A 46 ILE H A 46 ILE HG1x 1.0 . 4.93 122 116 A 46 ILE H A 46 ILE HG1y 1.0 . 4.93 123 117 A 60 LYS H A 59 VAL HB 1.0 . 4.97 124 118 A 60 LYS H A 45 HIS H 1.0 . 3.97 125 119 A 60 LYS H A 8 CYS HA 1.0 . 5.50 126 120 A 60 LYS H A 45 HIS HBx 1.0 . 4.41 127 121 A 60 LYS H A 60 LYS HBy 1.0 . 4.07 128 122 A 60 LYS H A 43 VAL HGx% 1.0 . 4.62 129 123 A 24 GLY H A 23 VAL H 1.0 . 4.51 130 124 A 23 VAL H A 22 GLU H 1.0 . 4.49 131 125 A 88 TYR HD% A 89 VAL H 1.0 . 4.37 132 126 A 94 TYR HD% A 89 VAL H 1.0 . 5.50 133 127 A 89 VAL H A 88 TYR HA 1.0 . 3.19 134 128 A 89 VAL H A 88 TYR HBy 1.0 . 3.96 135 129 A 89 VAL H A 8 CYS HBy 1.0 . 4.63 136 130 A 89 VAL H A 88 TYR HBx 1.0 . 4.12 137 131 A 89 VAL HB A 89 VAL H 1.0 . 3.65 138 132 A 23 VAL H A 23 VAL HGx% 1.0 . 3.49 139 133 A 59 VAL H A 10 GLN HBy 1.0 . 5.50 140 134 A 59 VAL H A 58 TYR H 1.0 . 5.23 141 135 A 59 VAL H A 58 TYR HD% 1.0 . 5.18 142 136 A 59 VAL H A 58 TYR HBy 1.0 . 4.52 143 137 A 59 VAL H A 58 TYR HBx 1.0 . 4.88 144 138 A 9 PHE HD% A 87 ALA H 1.0 . 4.73 145 139 A 78 TRP H A 78 TRP HD1 1.0 . 4.11 146 140 A 78 TRP H A 78 TRP HBx 1.0 . 3.43 147 141 A 78 TRP H A 77 ARG HBy 1.0 . 3.95 148 142 A 79 PHE H A 78 TRP H 1.0 . 5.09 149 143 A 106 GLN H A 105 THR H 1.0 . 2.85 150 144 A 106 GLN H A 105 THR HG2% 1.0 . 4.91 151 145 A 64 ILE H A 67 ALA H 1.0 . 5.50 152 146 A 64 ILE H A 63 SER HBy 1.0 . 3.62 153 147 A 64 ILE H A 63 SER HBx 1.0 . 3.89 154 148 A 7 GLN HBy A 64 ILE H 1.0 . 5.13 155 149 A 7 GLN HBx A 64 ILE H 1.0 . 4.70 156 150 A 64 ILE H A 64 ILE HB 1.0 . 3.07 157 151 A 78 TRP H A 77 ARG H 1.0 . 4.78 158 152 A 86 ALA H A 87 ALA H 1.0 . 5.17 159 153 A 104 ALA H A 106 GLN H 1.0 . 5.50 160 154 A 87 ALA H A 71 VAL HGx% 1.0 . 5.50 161 155 A 45 HIS H A 44 ILE H 1.0 . 3.10 162 156 A 46 ILE H A 45 HIS H 1.0 . 5.39 163 157 A 45 HIS H A 61 CYS HA 1.0 . 4.91 164 158 A 45 HIS H A 62 PRO HDy 1.0 . 5.50 165 159 A 45 HIS HBx A 45 HIS H 1.0 . 4.13 166 160 A 45 HIS H A 43 VAL HB 1.0 . 5.49 167 161 A 45 HIS H A 108 LEU HBx 1.0 . 4.75 168 162 A 45 HIS H A 108 LEU HDx% 1.0 . 4.10 169 163 A 45 HIS H A 44 ILE HG1x 1.0 . 4.27 170 164 A 5 ALA H A 6 THR H 1.0 . 4.31 171 165 A 43 VAL H A 108 LEU H 1.0 . 4.48 172 166 A 108 LEU H A 108 LEU HG 1.0 . 3.36 173 167 A 108 LEU H A 108 LEU HBy 1.0 . 3.58 174 168 A 108 LEU HBx A 108 LEU H 1.0 . 3.98 175 169 A 108 LEU H A 107 LEU HDx% 1.0 . 3.88 176 170 A 44 ILE HG2% A 108 LEU H 1.0 . 4.05 177 171 A 108 LEU H A 109 VAL H 1.0 . 4.72 178 172 A 6 THR H A 4 LEU H 1.0 . 5.50 179 173 A 5 ALA H A 4 LEU H 1.0 . 3.77 180 174 A 3 PRO HDy A 4 LEU H 1.0 . 5.50 181 175 A 4 LEU H A 3 PRO HBx 1.0 . 4.19 182 176 A 4 LEU H A 4 LEU HBx 1.0 . 3.05 183 177 A 4 LEU H A 4 LEU HDx% 1.0 . 4.43 184 178 A 34 ILE H A 36 GLU H 1.0 . 5.33 185 179 A 34 ILE H A 33 VAL H 1.0 . 3.61 186 180 A 34 ILE H A 35 GLU HA 1.0 . 5.50 187 181 A 34 ILE H A 31 ASP HBy 1.0 . 5.50 188 182 A 34 ILE H A 33 VAL HB 1.0 . 3.63 189 183 A 34 ILE H A 34 ILE HG1x 1.0 . 3.52 190 183 A 34 ILE H A 34 ILE HG1y 1.0 . 3.52 191 184 A 34 ILE H A 34 ILE HB 1.0 . 3.39 192 185 A 34 ILE H A 34 ILE HG2% 1.0 . 3.85 193 186 A 104 ALA H A 102 MET H 1.0 . 4.58 194 187 A 102 MET H A 101 SER HBx 1.0 . 4.89 195 188 A 102 MET H A 102 MET HBx 1.0 . 3.25 196 189 A 102 MET H A 103 THR HG2% 1.0 . 5.45 197 190 A 63 SER H A 67 ALA H 1.0 . 4.71 198 191 A 35 GLU H A 38 ASN H 1.0 . 5.50 199 192 A 38 ASN H A 42 GLY H 1.0 . 5.23 200 193 A 38 ASN H A 38 ASN HD2y 1.0 . 4.63 201 194 A 38 ASN H A 39 LYS H 1.0 . 3.52 202 195 A 38 ASN H A 38 ASN HD2x 1.0 . 5.34 203 196 A 38 ASN H A 36 GLU HA 1.0 . 4.80 204 197 A 35 GLU HA A 38 ASN H 1.0 . 3.97 205 198 A 38 ASN H A 34 ILE HA 1.0 . 5.00 206 199 A 38 ASN H A 38 ASN HBx 1.0 . 2.98 207 199 A 38 ASN H A 38 ASN HBy 1.0 . 2.98 208 200 A 38 ASN H A 37 CYS HBx 1.0 . 4.04 209 201 A 38 ASN H A 43 VAL HGy% 1.0 . 5.32 210 202 A 34 ILE HG2% A 38 ASN H 1.0 . 5.22 211 203 A 67 ALA H A 68 ILE H 1.0 . 3.38 212 204 A 67 ALA H A 66 ALA H 1.0 . 3.35 213 205 A 67 ALA H A 70 ALA H 1.0 . 5.48 214 206 A 67 ALA H A 68 ILE HA 1.0 . 5.50 215 207 A 67 ALA H A 64 ILE HA 1.0 . 4.30 216 208 A 61 CYS HBx A 67 ALA H 1.0 . 4.48 217 209 A 67 ALA H A 64 ILE HG2% 1.0 . 5.21 218 210 A 67 ALA H A 71 VAL HGy% 1.0 . 5.50 219 211 A 22 GLU H A 25 TRP HBx 1.0 . 5.23 220 212 A 22 GLU H A 22 GLU HBx 1.0 . 3.55 221 213 A 22 GLU H A 21 GLU HBx 1.0 . 4.24 222 214 A 78 TRP HH2 A 83 MET H 1.0 . 4.75 223 215 A 70 ALA H A 71 VAL H 1.0 . 3.31 224 216 A 70 ALA H A 69 ALA H 1.0 . 3.32 225 217 A 70 ALA H A 67 ALA HA 1.0 . 3.96 226 218 A 70 ALA H A 68 ILE HG2% 1.0 . 5.50 227 219 A 79 PHE H A 83 MET H 1.0 . 5.50 228 220 A 83 MET H A 13 ASN HD2x 1.0 . 4.76 229 221 A 84 ILE H A 83 MET H 1.0 . 4.87 230 222 A 83 MET H A 82 LYS H 1.0 . 4.65 231 223 A 83 MET H A 13 ASN HD2y 1.0 . 4.58 232 224 A 78 TRP HE3 A 83 MET H 1.0 . 4.97 233 225 A 83 MET H A 78 TRP HA 1.0 . 5.45 234 226 A 83 MET H A 82 LYS HBx 1.0 . 3.62 235 227 A 83 MET H A 83 MET HBy 1.0 . 3.28 236 228 A 83 MET HBx A 83 MET H 1.0 . 3.45 237 229 A 70 ALA H A 67 ALA HB% 1.0 . 5.26 238 230 A 33 VAL H A 34 ILE HA 1.0 . 5.50 239 231 A 33 VAL H A 32 ASP HBy 1.0 . 3.75 240 232 A 33 VAL H A 33 VAL HB 1.0 . 3.19 241 233 A 33 VAL H A 29 ILE HA 1.0 . 5.47 242 234 A 112 ARG H A 111 SER H 1.0 . 3.33 243 235 A 112 ARG H A 111 SER HA 1.0 . 3.46 244 236 A 112 ARG H A 111 SER HBx 1.0 . 3.60 245 237 A 112 ARG H A 112 ARG HDx 1.0 . 4.73 246 237 A 112 ARG H A 112 ARG HDy 1.0 . 4.73 247 238 A 112 ARG H A 110 PRO HBx 1.0 . 4.20 248 238 A 112 ARG H A 110 PRO HBy 1.0 . 4.20 249 239 A 112 ARG H A 27 THR HG2% 1.0 . 5.50 250 240 A 21 GLU H A 21 GLU HBy 1.0 . 3.57 251 241 A 64 ILE H A 65 ALA H 1.0 . 3.52 252 242 A 66 ALA H A 65 ALA H 1.0 . 3.54 253 243 A 67 ALA H A 65 ALA H 1.0 . 4.75 254 244 A 65 ALA H A 63 SER HA 1.0 . 4.52 255 245 A 65 ALA H A 66 ALA HA 1.0 . 5.50 256 246 A 63 SER HBy A 65 ALA H 1.0 . 3.66 257 247 A 67 ALA HB% A 65 ALA H 1.0 . 5.50 258 248 A 64 ILE HB A 65 ALA H 1.0 . 3.31 259 249 A 31 ASP H A 32 ASP H 1.0 . 3.47 260 250 A 32 ASP H A 30 LYS H 1.0 . 4.85 261 251 A 32 ASP H A 28 GLU HA 1.0 . 4.64 262 252 A 32 ASP HBy A 32 ASP H 1.0 . 3.25 263 253 A 31 ASP HBy A 32 ASP H 1.0 . 3.74 264 254 A 32 ASP H A 31 ASP HBx 1.0 . 4.01 265 255 A 32 ASP H A 30 LYS HDx 1.0 . 5.50 266 255 A 32 ASP H A 30 LYS HDy 1.0 . 5.50 267 256 A 34 ILE H A 32 ASP H 1.0 . 4.95 268 257 A 32 ASP H A 30 LYS HA 1.0 . 5.02 269 258 A 32 ASP H A 30 LYS HBx 1.0 . 5.41 270 258 A 32 ASP H A 30 LYS HBy 1.0 . 5.41 271 259 A 31 ASP H A 28 GLU H 1.0 . 5.50 272 260 A 28 GLU H A 26 ASP H 1.0 . 5.24 273 261 A 28 GLU H A 29 ILE H 1.0 . 3.07 274 262 A 28 GLU H A 25 TRP HA 1.0 . 4.42 275 263 A 28 GLU H A 27 THR HB 1.0 . 3.29 276 264 A 29 ILE HA A 28 GLU H 1.0 . 5.50 277 265 A 28 GLU H A 28 GLU HGx 1.0 . 3.71 278 266 A 28 GLU H A 29 ILE HB 1.0 . 5.10 279 267 A 113 ARG H A 111 SER H 1.0 . 5.50 280 268 A 111 SER H A 111 SER HBx 1.0 . 3.26 281 269 A 31 ASP HBy A 111 SER H 1.0 . 5.50 282 270 A 111 SER H A 31 ASP HBx 1.0 . 5.50 283 271 A 111 SER H A 110 PRO HBx 1.0 . 3.99 284 271 A 110 PRO HBy A 111 SER H 1.0 . 3.99 285 272 A 111 SER H A 30 LYS HDx 1.0 . 5.50 286 272 A 111 SER H A 30 LYS HDy 1.0 . 5.50 287 273 A 31 ASP HBy A 28 GLU H 1.0 . 5.50 288 274 A 84 ILE H A 77 ARG H 1.0 . 4.66 289 275 A 77 ARG H A 76 GLY H 1.0 . 3.36 290 276 A 77 ARG H A 84 ILE HB 1.0 . 3.92 291 277 A 77 ARG HBy A 77 ARG H 1.0 . 3.10 292 278 A 77 ARG H A 77 ARG HGx 1.0 . 4.23 293 279 A 83 MET HGx A 77 ARG H 1.0 . 4.70 294 280 A 21 GLU H A 20 GLU H 1.0 . 4.20 295 281 A 20 GLU H A 20 GLU HGy 1.0 . 4.47 296 282 A 20 GLU H A 20 GLU HBx 1.0 . 3.65 297 282 A 20 GLU H A 20 GLU HBy 1.0 . 3.65 298 283 A 73 ALA H A 74 LEU HA 1.0 . 5.40 299 284 A 71 VAL HGx% A 73 ALA H 1.0 . 5.50 300 285 A 71 VAL HGy% A 73 ALA H 1.0 . 5.50 301 286 A 71 VAL H A 73 ALA H 1.0 . 4.77 302 287 A 73 ALA H A 74 LEU H 1.0 . 3.27 303 288 A 73 ALA H A 69 ALA HA 1.0 . 4.96 304 289 A 73 ALA H A 71 VAL HB 1.0 . 5.50 305 290 A 73 ALA H A 70 ALA HB% 1.0 . 4.67 306 291 A 88 TYR HD% A 88 TYR H 1.0 . 3.55 307 292 A 88 TYR H A 88 TYR HE% 1.0 . 4.64 308 293 A 88 TYR HBy A 88 TYR H 1.0 . 3.83 309 294 A 88 TYR HBx A 88 TYR H 1.0 . 3.46 310 295 A 88 TYR H A 87 ALA HB% 1.0 . 3.79 311 296 A 88 TYR H A 89 VAL HGx% 1.0 . 5.50 312 297 A 80 ALA H A 82 LYS H 1.0 . 5.20 313 298 A 82 LYS H A 80 ALA HB% 1.0 . 5.09 314 299 A 79 PHE H A 82 LYS H 1.0 . 3.73 315 300 A 82 LYS H A 81 GLY H 1.0 . 3.56 316 301 A 78 TRP HE3 A 82 LYS H 1.0 . 4.60 317 302 A 79 PHE HBy A 82 LYS H 1.0 . 4.80 318 303 A 82 LYS H A 79 PHE HBx 1.0 . 4.84 319 304 A 82 LYS H A 82 LYS HBy 1.0 . 3.45 320 305 A 82 LYS H A 82 LYS HGy 1.0 . 3.75 321 306 A 88 TYR H A 9 PHE HA 1.0 . 5.23 322 307 A 71 VAL H A 69 ALA H 1.0 . 4.91 323 308 A 71 VAL H A 9 PHE HZ 1.0 . 5.50 324 309 A 9 PHE HD% A 71 VAL H 1.0 . 5.18 325 310 A 71 VAL H A 67 ALA HA 1.0 . 4.82 326 311 A 68 ILE HA A 71 VAL H 1.0 . 4.17 327 312 A 71 VAL H A 69 ALA HA 1.0 . 5.31 328 313 A 71 VAL H A 68 ILE HG2% 1.0 . 5.50 329 314 A 11 LEU H A 57 VAL H 1.0 . 3.90 330 315 A 58 TYR H A 57 VAL H 1.0 . 5.13 331 316 A 57 VAL H A 56 ASN H 1.0 . 5.03 332 317 A 57 VAL H A 10 GLN HA 1.0 . 5.50 333 318 A 57 VAL H A 12 SER HA 1.0 . 4.46 334 319 A 57 VAL H A 56 ASN HBx 1.0 . 4.03 335 320 A 10 GLN HBy A 57 VAL H 1.0 . 3.61 336 321 A 11 LEU HBx A 57 VAL H 1.0 . 4.90 337 322 A 57 VAL HGx% A 57 VAL H 1.0 . 4.35 338 323 A 57 VAL H A 57 VAL HGy% 1.0 . 4.88 339 324 A 63 SER HBy A 66 ALA H 1.0 . 4.51 340 325 A 63 SER HBx A 66 ALA H 1.0 . 3.98 341 326 A 64 ILE H A 66 ALA H 1.0 . 5.30 342 327 A 66 ALA H A 64 ILE HA 1.0 . 5.27 343 328 A 66 ALA H A 64 ILE HG2% 1.0 . 5.49 344 329 A 68 ILE H A 66 ALA H 1.0 . 4.94 345 330 A 39 LYS H A 40 HIS HD2 1.0 . 5.50 346 331 A 39 LYS H A 40 HIS HA 1.0 . 5.50 347 332 A 39 LYS H A 37 CYS HA 1.0 . 4.57 348 333 A 39 LYS H A 40 HIS HBx 1.0 . 5.50 349 334 A 39 LYS H A 38 ASN HBx 1.0 . 3.95 350 334 A 39 LYS H A 38 ASN HBy 1.0 . 3.95 351 335 A 39 LYS H A 37 CYS HBx 1.0 . 5.50 352 336 A 39 LYS H A 39 LYS HBy 1.0 . 3.60 353 337 A 39 LYS H A 39 LYS HGx 1.0 . 3.90 354 338 A 39 LYS H A 39 LYS HBx 1.0 . 3.43 355 339 A 95 HIS H A 97 LEU H 1.0 . 5.26 356 340 A 97 LEU H A 95 HIS HA 1.0 . 5.09 357 341 A 97 LEU H A 93 THR HA 1.0 . 5.03 358 342 A 94 TYR HBy A 97 LEU H 1.0 . 5.50 359 343 A 97 LEU H A 96 ASN HBy 1.0 . 4.03 360 344 A 97 LEU H A 96 ASN HBx 1.0 . 3.84 361 345 A 97 LEU H A 97 LEU HG 1.0 . 4.15 362 346 A 97 LEU H A 97 LEU HBy 1.0 . 3.45 363 347 A 69 ALA H A 67 ALA HB% 1.0 . 5.23 364 348 A 69 ALA H A 66 ALA HA 1.0 . 4.18 365 349 A 69 ALA H A 40 HIS HBy 1.0 . 5.50 366 350 A 69 ALA H A 68 ILE HB 1.0 . 3.36 367 351 A 28 GLU H A 27 THR H 1.0 . 3.42 368 352 A 27 THR HB A 27 THR H 1.0 . 3.23 369 353 A 28 GLU HGx A 27 THR H 1.0 . 5.50 370 354 A 27 THR H A 28 GLU HBx 1.0 . 4.76 371 354 A 27 THR H A 28 GLU HBy 1.0 . 4.76 372 355 A 27 THR H A 30 LYS HBx 1.0 . 5.05 373 355 A 30 LYS HBy A 27 THR H 1.0 . 5.05 374 356 A 27 THR H A 24 GLY HAx 1.0 . 4.58 375 357 A 24 GLY H A 26 ASP H 1.0 . 4.80 376 358 A 26 ASP H A 27 THR H 1.0 . 3.22 377 359 A 26 ASP H A 27 THR HB 1.0 . 5.08 378 360 A 26 ASP H A 25 TRP HBy 1.0 . 5.50 379 361 A 26 ASP H A 26 ASP HBy 1.0 . 3.85 380 362 A 27 THR HG2% A 26 ASP H 1.0 . 5.50 381 363 A 26 ASP H A 26 ASP HBx 1.0 . 3.64 382 364 A 9 PHE H A 8 CYS H 1.0 . 5.09 383 365 A 89 VAL H A 8 CYS H 1.0 . 4.67 384 366 A 88 TYR HD% A 8 CYS H 1.0 . 4.89 385 367 A 9 PHE HD% A 8 CYS H 1.0 . 4.70 386 368 A 88 TYR HA A 8 CYS H 1.0 . 4.72 387 369 A 88 TYR HBy A 8 CYS H 1.0 . 5.50 388 370 A 8 CYS H A 7 GLN HGx 1.0 . 4.88 389 371 A 67 ALA HB% A 8 CYS H 1.0 . 4.77 390 372 A 8 CYS H A 6 THR HG2% 1.0 . 4.56 391 373 A 64 ILE HG2% A 8 CYS H 1.0 . 4.83 392 374 A 34 ILE H A 31 ASP H 1.0 . 5.50 393 375 A 31 ASP H A 30 LYS H 1.0 . 3.53 394 376 A 31 ASP H A 29 ILE H 1.0 . 5.00 395 377 A 31 ASP H A 27 THR HA 1.0 . 4.67 396 378 A 31 ASP HBy A 31 ASP H 1.0 . 3.33 397 379 A 31 ASP H A 31 ASP HBx 1.0 . 3.70 398 380 A 31 ASP H A 28 GLU HBx 1.0 . 5.08 399 380 A 31 ASP H A 28 GLU HBy 1.0 . 5.08 400 381 A 31 ASP H A 30 LYS HGx 1.0 . 4.52 401 382 A 31 ASP H A 34 ILE HD1% 1.0 . 5.37 402 383 A 30 LYS H A 30 LYS HBx 1.0 . 2.93 403 383 A 30 LYS H A 30 LYS HBy 1.0 . 2.93 404 384 A 30 LYS H A 30 LYS HGx 1.0 . 4.50 405 385 A 33 VAL H A 30 LYS H 1.0 . 5.50 406 386 A 30 LYS H A 28 GLU HA 1.0 . 5.50 407 387 A 30 LYS H A 27 THR HA 1.0 . 4.10 408 388 A 30 LYS H A 26 ASP HA 1.0 . 5.01 409 389 A 31 ASP HBy A 30 LYS H 1.0 . 5.50 410 390 A 30 LYS H A 30 LYS HEx 1.0 . 5.50 411 390 A 30 LYS HEy A 30 LYS H 1.0 . 5.50 412 391 A 30 LYS H A 28 GLU HBx 1.0 . 5.02 413 391 A 30 LYS H A 28 GLU HBy 1.0 . 5.02 414 392 A 30 LYS H A 30 LYS HDx 1.0 . 4.37 415 392 A 30 LYS H A 30 LYS HDy 1.0 . 4.37 416 393 A 88 TYR HA A 10 GLN H 1.0 . 4.38 417 394 A 11 LEU H A 10 GLN H 1.0 . 5.50 418 395 A 87 ALA H A 10 GLN H 1.0 . 3.61 419 396 A 88 TYR HD% A 10 GLN H 1.0 . 5.50 420 397 A 9 PHE HD% A 10 GLN H 1.0 . 4.27 421 398 A 10 GLN H A 86 ALA HA 1.0 . 4.72 422 399 A 10 GLN H A 9 PHE HBy 1.0 . 3.86 423 400 A 10 GLN H A 9 PHE HBx 1.0 . 3.59 424 401 A 10 GLN H A 10 GLN HGy 1.0 . 4.28 425 402 A 74 LEU H A 70 ALA HA 1.0 . 5.20 426 403 A 74 LEU H A 71 VAL HA 1.0 . 4.31 427 404 A 74 LEU H A 74 LEU HBy 1.0 . 3.20 428 405 A 74 LEU H A 74 LEU HBx 1.0 . 3.75 429 406 A 74 LEU H A 74 LEU HDx% 1.0 . 4.10 430 407 A 71 VAL HGy% A 74 LEU H 1.0 . 5.50 431 408 A 15 PHE HBy A 16 ASN H 1.0 . 3.81 432 409 A 16 ASN H A 16 ASN HBy 1.0 . 3.76 433 410 A 16 ASN H A 15 PHE HBx 1.0 . 3.23 434 411 A 16 ASN H A 15 PHE HD% 1.0 . 4.26 435 412 A 35 GLU H A 37 CYS H 1.0 . 4.44 436 413 A 35 GLU H A 38 ASN HBx 1.0 . 5.29 437 413 A 35 GLU H A 38 ASN HBy 1.0 . 5.29 438 414 A 34 ILE H A 35 GLU H 1.0 . 3.56 439 415 A 33 VAL H A 35 GLU H 1.0 . 4.86 440 416 A 35 GLU H A 32 ASP HA 1.0 . 3.99 441 417 A 35 GLU H A 33 VAL HA 1.0 . 5.43 442 418 A 35 GLU H A 35 GLU HBy 1.0 . 3.08 443 419 A 34 ILE HB A 35 GLU H 1.0 . 3.50 444 420 A 68 ILE H A 70 ALA H 1.0 . 4.86 445 421 A 68 ILE H A 69 ALA H 1.0 . 3.18 446 422 A 68 ILE H A 65 ALA HA 1.0 . 4.11 447 423 A 68 ILE H A 64 ILE HA 1.0 . 5.03 448 424 A 68 ILE H A 68 ILE HG1y 1.0 . 3.35 449 425 A 68 ILE H A 68 ILE HB 1.0 . 3.16 450 426 A 68 ILE H A 68 ILE HG1x 1.0 . 3.80 451 427 A 68 ILE H A 71 VAL HGy% 1.0 . 5.50 452 428 A 36 GLU H A 37 CYS HBx 1.0 . 4.79 453 429 A 36 GLU H A 34 ILE HG2% 1.0 . 5.50 454 430 A 36 GLU H A 37 CYS H 1.0 . 3.38 455 431 A 36 GLU H A 35 GLU H 1.0 . 3.56 456 432 A 36 GLU H A 32 ASP HA 1.0 . 5.00 457 433 A 36 GLU H A 33 VAL HA 1.0 . 4.10 458 434 A 36 GLU H A 34 ILE HA 1.0 . 5.27 459 435 A 36 GLU H A 36 GLU HBy 1.0 . 3.35 460 436 A 36 GLU H A 35 GLU HBx 1.0 . 3.30 461 437 A 36 GLU H A 39 LYS HGy 1.0 . 5.50 462 438 A 36 GLU H A 33 VAL HGx% 1.0 . 4.99 463 439 A 36 GLU H A 33 VAL H 1.0 . 5.50 464 440 A 59 VAL H A 9 PHE H 1.0 . 3.86 465 441 A 9 PHE H A 89 VAL H 1.0 . 5.50 466 442 A 9 PHE HD% A 9 PHE H 1.0 . 3.96 467 443 A 9 PHE H A 8 CYS HA 1.0 . 3.02 468 444 A 9 PHE H A 58 TYR HA 1.0 . 5.50 469 445 A 9 PHE H A 60 LYS HA 1.0 . 4.20 470 446 A 9 PHE H A 8 CYS HBy 1.0 . 4.42 471 447 A 9 PHE H A 8 CYS HBx 1.0 . 3.98 472 448 A 9 PHE H A 67 ALA HB% 1.0 . 5.50 473 449 A 9 PHE H A 89 VAL HGy% 1.0 . 5.40 474 450 A 9 PHE H A 59 VAL HGy% 1.0 . 4.96 475 451 A 59 VAL HGx% A 9 PHE H 1.0 . 5.50 476 452 A 9 PHE H A 59 VAL HB 1.0 . 4.13 477 453 A 75 HIS H A 74 LEU H 1.0 . 3.36 478 454 A 75 HIS H A 73 ALA H 1.0 . 4.60 479 455 A 75 HIS H A 75 HIS HBy 1.0 . 3.30 480 456 A 75 HIS H A 75 HIS HBx 1.0 . 3.33 481 457 A 75 HIS H A 71 VAL HA 1.0 . 4.44 482 458 A 75 HIS H A 74 LEU HBy 1.0 . 3.97 483 459 A 75 HIS H A 86 ALA HB% 1.0 . 4.76 484 460 A 75 HIS H A 71 VAL HGy% 1.0 . 5.50 485 461 A 75 HIS H A 75 HIS HD2 1.0 . 5.17 486 462 A 75 HIS H A 72 ASN HA 1.0 . 5.04 487 463 A 32 ASP H A 29 ILE H 1.0 . 5.50 488 464 A 30 LYS H A 29 ILE H 1.0 . 3.24 489 465 A 29 ILE H A 25 TRP HA 1.0 . 5.50 490 466 A 29 ILE H A 26 ASP HA 1.0 . 4.34 491 467 A 29 ILE H A 29 ILE HB 1.0 . 3.07 492 468 A 77 ARG HBy A 76 GLY H 1.0 . 5.17 493 469 A 86 ALA H A 76 GLY H 1.0 . 4.82 494 470 A 84 ILE H A 76 GLY H 1.0 . 5.37 495 471 A 76 GLY H A 85 THR HG2% 1.0 . 5.50 496 472 A 93 THR HG2% A 96 ASN H 1.0 . 5.08 497 473 A 97 LEU HBy A 96 ASN H 1.0 . 5.11 498 474 A 94 TYR H A 96 ASN H 1.0 . 5.26 499 475 A 96 ASN H A 98 PHE H 1.0 . 4.70 500 476 A 93 THR HA A 96 ASN H 1.0 . 4.29 501 477 A 16 ASN H A 18 GLN H 1.0 . 5.50 502 478 A 18 GLN H A 19 THR H 1.0 . 3.38 503 479 A 18 GLN H A 16 ASN HD2x 1.0 . 5.50 504 480 A 16 ASN HBy A 18 GLN H 1.0 . 5.30 505 481 A 18 GLN H A 16 ASN HBx 1.0 . 5.13 506 482 A 18 GLN H A 18 GLN HGx 1.0 . 3.81 507 483 A 18 GLN H A 17 PRO HGx 1.0 . 3.40 508 484 A 18 GLN H A 18 GLN HBx 1.0 . 3.25 509 485 A 18 GLN H A 19 THR HG2% 1.0 . 5.50 510 486 A 35 GLU HA A 37 CYS H 1.0 . 5.36 511 487 A 37 CYS H A 33 VAL HA 1.0 . 4.68 512 488 A 34 ILE HA A 37 CYS H 1.0 . 4.25 513 489 A 37 CYS H A 37 CYS HBy 1.0 . 3.44 514 490 A 37 CYS HBx A 37 CYS H 1.0 . 3.14 515 491 A 37 CYS H A 36 GLU HBy 1.0 . 3.97 516 492 A 70 ALA HB% A 37 CYS H 1.0 . 5.50 517 493 A 43 VAL HGy% A 37 CYS H 1.0 . 4.75 518 494 A 37 CYS H A 33 VAL HGx% 1.0 . 4.64 519 495 A 34 ILE HG2% A 37 CYS H 1.0 . 5.50 520 496 A 40 HIS HD2 A 37 CYS H 1.0 . 5.38 521 497 A 45 HIS HBy A 44 ILE H 1.0 . 5.20 522 498 A 45 HIS HBx A 44 ILE H 1.0 . 5.50 523 499 A 43 VAL HGx% A 44 ILE H 1.0 . 3.87 524 500 A 44 ILE H A 61 CYS HA 1.0 . 3.92 525 501 A 44 ILE H A 43 VAL HB 1.0 . 4.67 526 502 A 86 ALA H A 12 SER H 1.0 . 5.50 527 503 A 11 LEU H A 12 SER H 1.0 . 5.00 528 504 A 12 SER H A 13 ASN H 1.0 . 4.88 529 505 A 12 SER H A 85 THR H 1.0 . 3.67 530 506 A 12 SER H A 11 LEU HA 1.0 . 3.03 531 507 A 12 SER H A 84 ILE HA 1.0 . 4.65 532 508 A 12 SER H A 12 SER HBy 1.0 . 4.10 533 509 A 12 SER H A 12 SER HBx 1.0 . 3.76 534 510 A 11 LEU HBy A 12 SER H 1.0 . 4.27 535 511 A 11 LEU HBx A 12 SER H 1.0 . 4.00 536 512 A 86 ALA HB% A 12 SER H 1.0 . 5.50 537 513 A 11 LEU HDy% A 12 SER H 1.0 . 4.11 538 514 A 98 PHE HA A 100 ASP H 1.0 . 4.04 539 515 A 100 ASP H A 101 SER HA 1.0 . 5.50 540 516 A 100 ASP H A 99 PRO HDx 1.0 . 4.65 541 517 A 100 ASP H A 101 SER H 1.0 . 3.24 542 518 A 102 MET H A 100 ASP H 1.0 . 4.55 543 519 A 100 ASP H A 99 PRO HDy 1.0 . 4.09 544 520 A 100 ASP H A 100 ASP HBy 1.0 . 3.53 545 521 A 100 ASP H A 100 ASP HBx 1.0 . 3.48 546 522 A 100 ASP H A 99 PRO HBy 1.0 . 4.49 547 523 A 100 ASP H A 102 MET HE% 1.0 . 4.03 548 524 A 109 VAL H A 109 VAL HB 1.0 . 3.76 549 525 A 108 LEU HBy A 109 VAL H 1.0 . 3.94 550 526 A 108 LEU HBx A 109 VAL H 1.0 . 3.53 551 527 A 109 VAL H A 34 ILE HD1% 1.0 . 4.38 552 528 A 109 VAL H A 110 PRO HDx 1.0 . 4.87 553 529 A 76 GLY H A 85 THR H 1.0 . 5.50 554 530 A 85 THR H A 11 LEU HA 1.0 . 5.05 555 531 A 85 THR H A 12 SER HBx 1.0 . 4.88 556 532 A 85 THR H A 13 ASN HBy 1.0 . 4.97 557 533 A 13 ASN HBx A 85 THR H 1.0 . 4.62 558 534 A 84 ILE HB A 85 THR H 1.0 . 4.05 559 535 A 84 ILE HG1y A 85 THR H 1.0 . 5.07 560 536 A 85 THR H A 84 ILE HG1x 1.0 . 5.50 561 537 A 85 THR H A 84 ILE HG2% 1.0 . 3.98 562 538 A 86 ALA H A 85 THR H 1.0 . 5.41 563 539 A 13 ASN H A 85 THR H 1.0 . 5.50 564 540 A 95 HIS H A 96 ASN H 1.0 . 3.48 565 541 A 93 THR H A 95 HIS H 1.0 . 4.64 566 542 A 71 VAL H A 72 ASN H 1.0 . 3.41 567 543 A 73 ALA H A 72 ASN H 1.0 . 3.35 568 544 A 72 ASN H A 72 ASN HD2x 1.0 . 5.41 569 545 A 71 VAL HB A 72 ASN H 1.0 . 3.53 570 546 A 70 ALA HB% A 72 ASN H 1.0 . 5.50 571 547 A 72 ASN H A 73 ALA HB% 1.0 . 4.80 572 548 A 53 ALA H A 52 SER H 1.0 . 4.65 573 549 A 51 ASN H A 52 SER H 1.0 . 3.18 574 550 A 52 SER HBx A 52 SER H 1.0 . 3.23 575 551 A 52 SER H A 49 ASP HBy 1.0 . 5.08 576 552 A 52 SER H A 51 ASN HBx 1.0 . 4.25 577 553 A 50 LYS HBx A 52 SER H 1.0 . 5.02 578 554 A 13 ASN H A 14 MET H 1.0 . 3.52 579 555 A 13 ASN H A 12 SER HBx 1.0 . 4.40 580 556 A 55 GLY HAx A 13 ASN H 1.0 . 4.72 581 557 A 94 TYR H A 95 HIS H 1.0 . 3.56 582 558 A 95 HIS H A 98 PHE H 1.0 . 5.50 583 559 A 94 TYR HD% A 95 HIS H 1.0 . 4.66 584 560 A 94 TYR HBy A 95 HIS H 1.0 . 2.99 585 561 A 94 TYR HBx A 95 HIS H 1.0 . 3.94 586 562 A 101 SER HBx A 101 SER H 1.0 . 3.35 587 563 A 102 MET H A 101 SER H 1.0 . 3.25 588 564 A 45 HIS HD2 A 101 SER H 1.0 . 5.50 589 565 A 98 PHE HA A 101 SER H 1.0 . 3.79 590 566 A 101 SER H A 99 PRO HA 1.0 . 5.07 591 567 A 101 SER H A 101 SER HBy 1.0 . 3.97 592 568 A 45 HIS H A 43 VAL H 1.0 . 5.50 593 569 A 44 ILE HA A 43 VAL H 1.0 . 5.50 594 570 A 43 VAL H A 42 GLY HAy 1.0 . 3.21 595 571 A 43 VAL H A 42 GLY HAx 1.0 . 3.39 596 572 A 62 PRO HDy A 43 VAL H 1.0 . 5.50 597 573 A 43 VAL H A 37 CYS HBx 1.0 . 5.50 598 574 A 43 VAL H A 107 LEU HBy 1.0 . 4.83 599 575 A 43 VAL H A 107 LEU HDx% 1.0 . 3.42 600 576 A 44 ILE HG2% A 43 VAL H 1.0 . 5.41 601 577 A 53 ALA H A 56 ASN H 1.0 . 5.50 602 578 A 56 ASN H A 55 GLY H 1.0 . 3.64 603 579 A 52 SER HBx A 56 ASN H 1.0 . 4.00 604 580 A 49 ASP HBy A 56 ASN H 1.0 . 5.37 605 581 A 56 ASN H A 56 ASN HBy 1.0 . 3.61 606 582 A 56 ASN H A 56 ASN HBx 1.0 . 3.94 607 583 A 24 GLY H A 25 TRP HD1 1.0 . 5.04 608 584 A 24 GLY H A 23 VAL HB 1.0 . 4.71 609 585 A 24 GLY H A 23 VAL HGx% 1.0 . 4.62 610 586 A 51 ASN H A 49 ASP HA 1.0 . 3.94 611 587 A 52 SER HA A 51 ASN H 1.0 . 5.50 612 588 A 52 SER HBx A 51 ASN H 1.0 . 4.98 613 589 A 51 ASN H A 51 ASN HBy 1.0 . 3.85 614 590 A 51 ASN H A 51 ASN HBx 1.0 . 3.39 615 591 A 50 LYS HBx A 51 ASN H 1.0 . 4.20 616 592 A 51 ASN H A 50 LYS HGy 1.0 . 5.50 617 593 A 38 ASN H A 40 HIS H 1.0 . 4.79 618 594 A 40 HIS H A 38 ASN HA 1.0 . 4.19 619 595 A 40 HIS H A 41 GLY HAx 1.0 . 5.11 620 596 A 39 LYS HBy A 40 HIS H 1.0 . 4.28 621 597 A 40 HIS HD2 A 40 HIS H 1.0 . 4.80 622 598 A 40 HIS HBy A 40 HIS H 1.0 . 4.00 623 599 A 40 HIS HBx A 40 HIS H 1.0 . 3.63 624 600 A 40 HIS H A 38 ASN HBx 1.0 . 5.09 625 600 A 38 ASN HBy A 40 HIS H 1.0 . 5.09 626 601 A 39 LYS HBx A 40 HIS H 1.0 . 4.40 627 602 A 98 PHE H A 100 ASP H 1.0 . 5.50 628 603 A 98 PHE H A 101 SER H 1.0 . 5.50 629 604 A 97 LEU H A 98 PHE H 1.0 . 3.25 630 605 A 98 PHE H A 94 TYR HA 1.0 . 4.30 631 606 A 98 PHE H A 98 PHE HBx 1.0 . 3.76 632 607 A 98 PHE H A 102 MET HE% 1.0 . 5.50 633 608 A 97 LEU HBy A 98 PHE H 1.0 . 3.59 634 609 A 98 PHE H A 97 LEU HBx 1.0 . 3.91 635 610 A 51 ASN HD2x A 51 ASN HA 1.0 . 5.50 636 611 A 98 PHE H A 98 PHE HE% 1.0 . 5.50 637 612 A 95 HIS HA A 98 PHE H 1.0 . 4.26 638 613 A 51 ASN H A 51 ASN HD2y 1.0 . 4.87 639 614 A 51 ASN HBx A 51 ASN HD2y 1.0 . 3.67 640 615 A 51 ASN H A 51 ASN HD2x 1.0 . 5.50 641 616 A 52 SER H A 51 ASN HD2x 1.0 . 4.99 642 617 A 15 PHE HD% A 14 MET H 1.0 . 5.18 643 618 A 14 MET H A 55 GLY H 1.0 . 5.27 644 619 A 14 MET H A 15 PHE H 1.0 . 3.48 645 620 A 14 MET H A 56 ASN HA 1.0 . 5.50 646 621 A 12 SER HA A 14 MET H 1.0 . 4.86 647 622 A 14 MET H A 15 PHE HA 1.0 . 5.50 648 623 A 14 MET H A 55 GLY HAy 1.0 . 3.86 649 624 A 14 MET H A 14 MET HBx 1.0 . 3.31 650 625 A 55 GLY HAx A 14 MET H 1.0 . 4.25 651 626 A 57 VAL HGx% A 14 MET H 1.0 . 5.50 652 627 A 55 GLY HAy A 54 GLN H 1.0 . 5.50 653 628 A 53 ALA H A 54 GLN H 1.0 . 3.61 654 629 A 55 GLY H A 54 GLN H 1.0 . 3.46 655 630 A 54 GLN H A 56 ASN HD2x 1.0 . 5.31 656 631 A 52 SER HA A 54 GLN H 1.0 . 4.28 657 632 A 54 GLN H A 54 GLN HGx 1.0 . 3.92 658 633 A 54 GLN H A 54 GLN HBx 1.0 . 3.29 659 634 A 93 THR H A 94 TYR HBy 1.0 . 5.15 660 635 A 13 ASN HD2y A 82 LYS HA 1.0 . 5.50 661 636 A 6 THR H A 8 CYS H 1.0 . 5.02 662 637 A 93 THR H A 90 PRO HA 1.0 . 5.50 663 638 A 93 THR H A 93 THR HB 1.0 . 3.34 664 639 A 93 THR H A 92 PRO HDx 1.0 . 4.00 665 640 A 93 THR H A 94 TYR HBx 1.0 . 5.35 666 641 A 93 THR H A 96 ASN H 1.0 . 5.50 667 642 A 13 ASN HD2y A 13 ASN HA 1.0 . 4.69 668 643 A 13 ASN HD2y A 82 LYS HGy 1.0 . 5.50 669 644 A 13 ASN HD2y A 82 LYS HBx 1.0 . 4.80 670 645 A 13 ASN HD2y A 85 THR HG2% 1.0 . 5.50 671 646 A 13 ASN HD2x A 82 LYS HA 1.0 . 5.50 672 647 A 88 TYR HA A 6 THR H 1.0 . 5.50 673 648 A 88 TYR HBy A 6 THR H 1.0 . 4.66 674 649 A 88 TYR HBx A 6 THR H 1.0 . 4.80 675 650 A 6 THR H A 67 ALA HB% 1.0 . 5.50 676 651 A 6 THR H A 5 ALA HB% 1.0 . 4.00 677 652 A 72 ASN H A 72 ASN HD2y 1.0 . 5.09 678 653 A 16 ASN HBx A 16 ASN HD2y 1.0 . 3.55 679 654 A 16 ASN H A 16 ASN HD2y 1.0 . 5.30 680 655 A 16 ASN HBy A 16 ASN HD2y 1.0 . 3.95 681 656 A 19 THR HG2% A 16 ASN HD2y 1.0 . 5.50 682 657 A 16 ASN HD2x A 16 ASN HA 1.0 . 5.50 683 658 A 16 ASN HD2x A 18 GLN HBx 1.0 . 5.30 684 659 A 97 LEU H A 96 ASN HD2y 1.0 . 5.13 685 659 A 97 LEU H A 96 ASN HD2x 1.0 . 5.13 686 660 A 19 THR H A 18 GLN HGx 1.0 . 5.50 687 661 A 54 GLN HBx A 54 GLN HE2y 1.0 . 5.17 688 662 A 54 GLN HE2y A 53 ALA HB% 1.0 . 5.20 689 663 A 54 GLN HA A 54 GLN HE2x 1.0 . 5.50 690 664 A 16 ASN H A 19 THR H 1.0 . 4.76 691 665 A 20 GLU H A 19 THR H 1.0 . 3.54 692 666 A 19 THR H A 18 GLN HA 1.0 . 3.07 693 667 A 19 THR H A 16 ASN HBx 1.0 . 5.36 694 668 A 19 THR H A 18 GLN HBx 1.0 . 4.27 695 669 A 19 THR H A 19 THR HG2% 1.0 . 4.19 696 670 A 18 GLN HA A 18 GLN HE2y 1.0 . 5.41 697 671 A 17 PRO HGx A 18 GLN HE2y 1.0 . 5.50 698 672 A 96 ASN HA A 96 ASN HD2y 1.0 . 5.50 699 672 A 96 ASN HD2x A 96 ASN HA 1.0 . 5.50 700 673 A 97 LEU HDx% A 96 ASN HD2y 1.0 . 5.50 701 673 A 96 ASN HD2x A 97 LEU HDx% 1.0 . 5.50 702 674 A 6 THR H A 7 GLN H 1.0 . 5.13 703 675 A 8 CYS HA A 7 GLN H 1.0 . 5.50 704 676 A 8 CYS HBy A 7 GLN H 1.0 . 5.50 705 677 A 7 GLN HBx A 7 GLN H 1.0 . 3.90 706 678 A 64 ILE H A 7 GLN H 1.0 . 5.50 707 679 A 7 GLN H A 6 THR HA 1.0 . 2.92 708 680 A 64 ILE HA A 7 GLN H 1.0 . 5.00 709 681 A 7 GLN HGx A 7 GLN H 1.0 . 3.70 710 682 A 7 GLN H A 64 ILE HG1x 1.0 . 4.02 711 683 A 104 ALA H A 105 THR H 1.0 . 4.75 712 684 A 105 THR H A 104 ALA HA 1.0 . 2.85 713 685 A 10 GLN HGx A 56 ASN HD2y 1.0 . 5.50 714 686 A 57 VAL H A 56 ASN HD2y 1.0 . 5.25 715 687 A 54 GLN HBx A 56 ASN HD2y 1.0 . 4.89 716 688 A 56 ASN HD2x A 10 GLN HE2x 1.0 . 5.50 717 689 A 56 ASN HA A 56 ASN HD2x 1.0 . 4.87 718 690 A 12 SER HA A 56 ASN HD2x 1.0 . 5.13 719 691 A 56 ASN HD2x A 54 GLN HA 1.0 . 5.10 720 692 A 12 SER HBy A 56 ASN HD2x 1.0 . 5.47 721 693 A 56 ASN HD2x A 54 GLN HBy 1.0 . 4.45 722 694 A 7 GLN HE2y A 7 GLN H 1.0 . 5.50 723 695 A 7 GLN HE2y A 7 GLN HGx 1.0 . 4.09 724 696 A 7 GLN HE2y A 7 GLN HBx 1.0 . 4.45 725 697 A 7 GLN HE2x A 62 PRO HA 1.0 . 4.61 726 698 A 7 GLN HBx A 7 GLN HE2x 1.0 . 5.00 727 699 A 56 ASN HD2y A 10 GLN HE2y 1.0 . 5.50 728 700 A 10 GLN HE2y A 58 TYR HE% 1.0 . 4.78 729 701 A 56 ASN HBx A 10 GLN HE2y 1.0 . 5.50 730 702 A 56 ASN HD2y A 10 GLN HE2x 1.0 . 5.50 731 703 A 57 VAL HA A 10 GLN HE2x 1.0 . 5.50 732 704 A 10 GLN HE2x A 58 TYR HE% 1.0 . 5.35 733 705 A 56 ASN HBy A 10 GLN HE2x 1.0 . 5.50 734 706 A 55 GLY H A 16 ASN HA 1.0 . 5.50 735 707 A 55 GLY H A 54 GLN HBy 1.0 . 5.07 736 708 A 53 ALA H A 55 GLY H 1.0 . 5.43 737 709 A 52 SER HA A 55 GLY H 1.0 . 5.50 738 710 A 55 GLY H A 53 ALA HB% 1.0 . 5.50 739 711 A 15 PHE H A 29 ILE HG2% 1.0 . 5.50 740 712 A 16 ASN H A 15 PHE H 1.0 . 5.01 741 713 A 13 ASN H A 15 PHE H 1.0 . 4.90 742 714 A 55 GLY H A 15 PHE H 1.0 . 5.35 743 715 A 15 PHE HD% A 15 PHE H 1.0 . 4.61 744 716 A 15 PHE H A 55 GLY HAy 1.0 . 3.63 745 717 A 15 PHE H A 14 MET HBx 1.0 . 4.41 746 718 A 55 GLY HAx A 15 PHE H 1.0 . 4.12 747 719 A 15 PHE H A 29 ILE HD1% 1.0 . 5.50 748 720 A 15 PHE H A 16 ASN HA 1.0 . 5.50 749 721 A 63 SER H A 64 ILE H 1.0 . 4.90 750 722 A 63 SER H A 66 ALA H 1.0 . 4.58 751 723 A 7 GLN HE2y A 63 SER H 1.0 . 5.50 752 724 A 63 SER H A 61 CYS HBy 1.0 . 3.81 753 725 A 63 SER H A 61 CYS HBx 1.0 . 4.02 754 726 A 63 SER H A 7 GLN HBy 1.0 . 4.25 755 727 A 63 SER H A 62 PRO HGx 1.0 . 4.02 756 728 A 38 ASN HD2y A 110 PRO HGx 1.0 . 5.50 757 729 A 38 ASN HD2y A 109 VAL HA 1.0 . 4.20 758 730 A 38 ASN HD2y A 110 PRO HDx 1.0 . 4.61 759 731 A 38 ASN HD2y A 38 ASN HBx 1.0 . 3.51 760 731 A 38 ASN HD2y A 38 ASN HBy 1.0 . 3.51 761 732 A 38 ASN HD2y A 110 PRO HBx 1.0 . 5.28 762 732 A 110 PRO HBy A 38 ASN HD2y 1.0 . 5.28 763 733 A 38 ASN HD2x A 110 PRO HDx 1.0 . 4.73 764 734 A 38 ASN HD2x A 110 PRO HBx 1.0 . 5.50 765 734 A 110 PRO HBy A 38 ASN HD2x 1.0 . 5.50 766 735 A 42 GLY H A 37 CYS HBx 1.0 . 4.74 767 736 A 43 VAL HB A 42 GLY H 1.0 . 5.50 768 737 A 42 GLY H A 40 HIS HBx 1.0 . 5.13 769 738 A 43 VAL H A 42 GLY H 1.0 . 4.36 770 739 A 42 GLY H A 41 GLY H 1.0 . 3.38 771 740 A 42 GLY H A 40 HIS H 1.0 . 3.99 772 741 A 42 GLY H A 37 CYS HBy 1.0 . 4.66 773 742 A 42 GLY H A 66 ALA HB% 1.0 . 4.77 774 743 A 40 HIS H A 41 GLY H 1.0 . 3.37 775 744 A 40 HIS HD2 A 41 GLY H 1.0 . 5.50 776 745 A 41 GLY H A 39 LYS HA 1.0 . 5.50 777 746 A 40 HIS HBy A 41 GLY H 1.0 . 4.51 778 747 A 40 HIS HBx A 41 GLY H 1.0 . 4.25 779 748 A 37 CYS HBy A 41 GLY H 1.0 . 5.50 780 749 A 41 GLY H A 66 ALA HB% 1.0 . 4.98 781 750 A 103 THR H A 101 SER HA 1.0 . 5.22 782 751 A 103 THR H A 102 MET HBy 1.0 . 4.22 783 752 A 103 THR H A 102 MET HBx 1.0 . 4.12 784 753 A 103 THR H A 104 ALA HB% 1.0 . 4.82 785 754 A 103 THR H A 101 SER H 1.0 . 5.50 786 755 A 79 PHE H A 81 GLY H 1.0 . 5.06 787 756 A 78 TRP HE3 A 81 GLY H 1.0 . 5.50 788 757 A 81 GLY H A 82 LYS HBy 1.0 . 5.50 789 758 A 80 ALA H A 81 GLY H 1.0 . 3.83 790 759 A 55 GLY HAy A 13 ASN HA 1.0 . 4.25 791 760 A 13 ASN H A 55 GLY HAy 1.0 . 4.40 792 761 A 26 ASP H A 24 GLY HAy 1.0 . 5.12 793 762 A 24 GLY HAy A 23 VAL HGy% 1.0 . 4.87 794 763 A 23 VAL HGx% A 24 GLY HAx 1.0 . 5.27 795 764 A 26 ASP H A 24 GLY HAx 1.0 . 4.81 796 765 A 66 ALA HB% A 41 GLY HAy 1.0 . 3.98 797 766 A 41 GLY HAx A 66 ALA HB% 1.0 . 4.20 798 767 A 75 HIS HD2 A 76 GLY HAy 1.0 . 5.30 799 768 A 75 HIS HD2 A 76 GLY HAx 1.0 . 5.46 800 769 A 42 GLY HAx A 38 ASN HBx 1.0 . 5.33 801 769 A 38 ASN HBy A 42 GLY HAx 1.0 . 5.33 802 770 A 11 LEU HBy A 57 VAL H 1.0 . 4.66 803 771 A 11 LEU HBy A 11 LEU HDy% 1.0 . 3.81 804 772 A 75 HIS H A 74 LEU HBx 1.0 . 4.59 805 773 A 107 LEU HDx% A 42 GLY HAy 1.0 . 3.99 806 774 A 37 CYS HBx A 42 GLY HAx 1.0 . 5.33 807 775 A 71 VAL HA A 74 LEU HBx 1.0 . 4.70 808 776 A 74 LEU HBx A 74 LEU HDx% 1.0 . 3.62 809 777 A 74 LEU HDx% A 77 ARG HDx 1.0 . 4.04 810 778 A 112 ARG HA A 112 ARG HDx 1.0 . 4.26 811 778 A 112 ARG HDy A 112 ARG HA 1.0 . 4.26 812 779 A 47 TYR HEx A 47 TYR HBx 1.0 . 5.46 813 780 A 47 TYR HBx A 58 TYR HD% 1.0 . 5.05 814 781 A 88 TYR HD% A 4 LEU HBx 1.0 . 5.17 815 782 A 46 ILE HB A 30 LYS HEx 1.0 . 4.75 816 782 A 30 LYS HEy A 46 ILE HB 1.0 . 4.75 817 783 A 97 LEU HBy A 98 PHE HE% 1.0 . 4.92 818 784 A 97 LEU HBy A 97 LEU HDx% 1.0 . 3.57 819 785 A 97 LEU H A 97 LEU HBx 1.0 . 3.80 820 786 A 79 PHE HBy A 84 ILE HG1y 1.0 . 4.34 821 787 A 79 PHE H A 79 PHE HBx 1.0 . 3.93 822 788 A 80 ALA H A 79 PHE HBx 1.0 . 4.59 823 789 A 79 PHE HBx A 82 LYS HA 1.0 . 5.46 824 790 A 79 PHE HBx A 82 LYS HBy 1.0 . 4.27 825 791 A 39 LYS HGy A 39 LYS HEx 1.0 . 3.32 826 791 A 39 LYS HGy A 39 LYS HEy 1.0 . 3.32 827 792 A 79 PHE HBx A 82 LYS HGy 1.0 . 3.63 828 793 A 81 GLY HAx A 82 LYS HEx 1.0 . 5.14 829 794 A 82 LYS HA A 82 LYS HEx 1.0 . 5.07 830 795 A 88 TYR HBy A 4 LEU HBx 1.0 . 5.17 831 796 A 46 ILE HB A 46 ILE H 1.0 . 3.86 832 797 A 46 ILE HB A 59 VAL HA 1.0 . 4.17 833 798 A 46 ILE HB A 43 VAL HGx% 1.0 . 4.00 834 799 A 46 ILE HB A 46 ILE HD1% 1.0 . 3.20 835 800 A 59 VAL HGx% A 46 ILE HB 1.0 . 5.06 836 801 A 97 LEU HBy A 98 PHE HZ 1.0 . 5.47 837 802 A 97 LEU HBx A 98 PHE HE% 1.0 . 4.92 838 803 A 82 LYS HGy A 82 LYS HEx 1.0 . 3.66 839 804 A 88 TYR HA A 9 PHE HBx 1.0 . 3.29 840 805 A 108 LEU HBx A 109 VAL HA 1.0 . 4.94 841 806 A 50 LYS HBx A 50 LYS HEx 1.0 . 4.41 842 807 A 49 ASP HA A 50 LYS HEx 1.0 . 3.09 843 808 A 30 LYS HGy A 30 LYS HEx 1.0 . 3.82 844 808 A 30 LYS HEy A 30 LYS HGy 1.0 . 3.82 845 809 A 30 LYS HGx A 30 LYS HEx 1.0 . 3.77 846 809 A 30 LYS HEy A 30 LYS HGx 1.0 . 3.77 847 810 A 47 TYR HA A 30 LYS HEx 1.0 . 5.48 848 810 A 30 LYS HEy A 47 TYR HA 1.0 . 5.48 849 811 A 27 THR HA A 30 LYS HEx 1.0 . 4.29 850 811 A 30 LYS HEy A 27 THR HA 1.0 . 4.29 851 812 A 88 TYR HD% A 9 PHE HBy 1.0 . 4.67 852 813 A 87 ALA H A 9 PHE HBx 1.0 . 4.47 853 814 A 88 TYR HD% A 9 PHE HBx 1.0 . 5.10 854 815 A 71 VAL HGy% A 9 PHE HBx 1.0 . 4.57 855 816 A 52 SER HBx A 56 ASN HBy 1.0 . 4.83 856 817 A 57 VAL H A 56 ASN HBy 1.0 . 4.42 857 818 A 12 SER HA A 56 ASN HBy 1.0 . 5.41 858 819 A 56 ASN HBy A 58 TYR HE% 1.0 . 4.69 859 820 A 56 ASN HBx A 10 GLN HE2x 1.0 . 5.50 860 821 A 12 SER HA A 56 ASN HBx 1.0 . 5.13 861 822 A 52 SER HBx A 56 ASN HBx 1.0 . 5.06 862 823 A 49 ASP HBy A 56 ASN HBx 1.0 . 4.55 863 824 A 56 ASN HBx A 58 TYR HE% 1.0 . 4.79 864 825 A 49 ASP H A 49 ASP HBy 1.0 . 3.79 865 826 A 49 ASP HBy A 47 TYR HEy 1.0 . 4.87 866 827 A 52 SER HBx A 49 ASP HBy 1.0 . 5.05 867 828 A 50 LYS H A 49 ASP HBx 1.0 . 5.21 868 829 A 52 SER HBx A 49 ASP HBx 1.0 . 4.88 869 830 A 49 ASP H A 49 ASP HBx 1.0 . 3.70 870 831 A 58 TYR HBx A 98 PHE HE% 1.0 . 4.99 871 832 A 107 LEU HBx A 43 VAL H 1.0 . 5.50 872 833 A 47 TYR HBx A 58 TYR HBy 1.0 . 4.35 873 834 A 94 TYR HBx A 89 VAL HA 1.0 . 5.50 874 835 A 107 LEU H A 107 LEU HBy 1.0 . 3.72 875 836 A 94 TYR HBy A 89 VAL HB 1.0 . 5.25 876 837 A 94 TYR HBx A 89 VAL HB 1.0 . 5.04 877 838 A 94 TYR HBx A 91 LEU HA 1.0 . 4.68 878 839 A 47 TYR HBx A 58 TYR HBx 1.0 . 4.31 879 840 A 107 LEU HBy A 107 LEU HDy% 1.0 . 3.66 880 841 A 50 LYS HBx A 51 ASN HBx 1.0 . 5.33 881 842 A 32 ASP H A 32 ASP HBx 1.0 . 3.58 882 843 A 33 VAL H A 32 ASP HBx 1.0 . 3.80 883 844 A 29 ILE HA A 32 ASP HBx 1.0 . 4.02 884 845 A 106 GLN H A 44 ILE HB 1.0 . 5.07 885 846 A 45 HIS H A 44 ILE HB 1.0 . 4.66 886 847 A 52 SER H A 51 ASN HBy 1.0 . 4.67 887 848 A 51 ASN HBy A 51 ASN HD2y 1.0 . 4.04 888 849 A 91 LEU H A 91 LEU HBx 1.0 . 2.97 889 849 A 91 LEU H A 91 LEU HBy 1.0 . 2.97 890 850 A 6 THR HB A 91 LEU HBx 1.0 . 3.66 891 850 A 91 LEU HBy A 6 THR HB 1.0 . 3.66 892 851 A 92 PRO HDy A 91 LEU HBx 1.0 . 3.04 893 851 A 91 LEU HBy A 92 PRO HDy 1.0 . 3.04 894 852 A 92 PRO HDx A 91 LEU HBx 1.0 . 3.47 895 852 A 92 PRO HDx A 91 LEU HBy 1.0 . 3.47 896 853 A 94 TYR HBy A 91 LEU HBx 1.0 . 5.11 897 853 A 94 TYR HBy A 91 LEU HBy 1.0 . 5.11 898 854 A 93 THR H A 91 LEU HBx 1.0 . 4.90 899 854 A 93 THR H A 91 LEU HBy 1.0 . 4.90 900 855 A 16 ASN HBy A 19 THR H 1.0 . 5.26 901 856 A 31 ASP HBy A 30 LYS HDx 1.0 . 5.47 902 856 A 31 ASP HBy A 30 LYS HDy 1.0 . 5.47 903 857 A 31 ASP HBy A 110 PRO HBx 1.0 . 4.97 904 857 A 110 PRO HBy A 31 ASP HBy 1.0 . 4.97 905 858 A 28 GLU HA A 31 ASP HBx 1.0 . 4.18 906 859 A 31 ASP HBx A 110 PRO HBx 1.0 . 4.74 907 859 A 110 PRO HBy A 31 ASP HBx 1.0 . 4.74 908 860 A 31 ASP HBx A 30 LYS HDx 1.0 . 5.07 909 860 A 31 ASP HBx A 30 LYS HDy 1.0 . 5.07 910 861 A 88 TYR HBy A 67 ALA HB% 1.0 . 5.50 911 862 A 101 SER H A 100 ASP HBy 1.0 . 4.99 912 863 A 95 HIS H A 96 ASN HBy 1.0 . 5.15 913 864 A 96 ASN HBy A 96 ASN H 1.0 . 3.03 914 865 A 93 THR HA A 96 ASN HBy 1.0 . 3.74 915 866 A 96 ASN HBy A 93 THR HG2% 1.0 . 4.56 916 867 A 16 ASN HBx A 17 PRO HGx 1.0 . 5.25 917 868 A 96 ASN HBx A 93 THR HG2% 1.0 . 4.42 918 869 A 96 ASN HBx A 97 LEU HBy 1.0 . 5.50 919 870 A 88 TYR HBx A 87 ALA HB% 1.0 . 5.50 920 871 A 88 TYR HBx A 9 PHE HA 1.0 . 5.22 921 872 A 15 PHE HBy A 14 MET HBx 1.0 . 5.15 922 873 A 15 PHE HBy A 29 ILE HD1% 1.0 . 4.23 923 874 A 96 ASN HBy A 97 LEU HDx% 1.0 . 5.02 924 875 A 93 THR H A 96 ASN HBy 1.0 . 5.50 925 876 A 96 ASN HBx A 96 ASN H 1.0 . 3.02 926 877 A 84 ILE H A 84 ILE HB 1.0 . 3.49 927 878 A 76 GLY H A 84 ILE HB 1.0 . 4.56 928 879 A 84 ILE HB A 75 HIS HA 1.0 . 4.36 929 880 A 34 ILE HB A 110 PRO HBx 1.0 . 4.04 930 880 A 110 PRO HBy A 34 ILE HB 1.0 . 4.04 931 881 A 99 PRO HDx A 98 PHE HBx 1.0 . 5.50 932 882 A 71 VAL HGx% A 72 ASN HBy 1.0 . 5.50 933 883 A 72 ASN H A 72 ASN HBy 1.0 . 3.37 934 884 A 72 ASN HD2y A 72 ASN HBy 1.0 . 3.83 935 885 A 73 ALA H A 72 ASN HBy 1.0 . 3.97 936 886 A 73 ALA HB% A 72 ASN HBy 1.0 . 4.85 937 887 A 68 ILE HG2% A 72 ASN HBy 1.0 . 5.38 938 888 A 71 VAL H A 72 ASN HBx 1.0 . 5.08 939 889 A 72 ASN H A 72 ASN HBx 1.0 . 3.27 940 890 A 72 ASN HD2y A 72 ASN HBx 1.0 . 3.74 941 891 A 73 ALA H A 72 ASN HBx 1.0 . 3.89 942 892 A 69 ALA HA A 72 ASN HBx 1.0 . 3.73 943 893 A 71 VAL HB A 72 ASN HBx 1.0 . 5.20 944 894 A 73 ALA HB% A 72 ASN HBx 1.0 . 4.74 945 895 A 68 ILE HG2% A 72 ASN HBx 1.0 . 5.11 946 896 A 71 VAL HGx% A 72 ASN HBx 1.0 . 5.50 947 897 A 101 SER HBy A 98 PHE HBy 1.0 . 4.80 948 898 A 101 SER H A 98 PHE HBy 1.0 . 4.89 949 899 A 94 TYR HD% A 98 PHE HBy 1.0 . 5.50 950 900 A 101 SER H A 98 PHE HBx 1.0 . 4.96 951 901 A 64 ILE HB A 65 ALA HB% 1.0 . 4.54 952 902 A 30 LYS H A 29 ILE HB 1.0 . 3.46 953 903 A 48 VAL HGy% A 29 ILE HB 1.0 . 5.22 954 904 A 30 LYS HA A 29 ILE HB 1.0 . 5.17 955 905 A 83 MET H A 13 ASN HBy 1.0 . 5.46 956 906 A 84 ILE HG1y A 13 ASN HBy 1.0 . 4.58 957 907 A 13 ASN HD2y A 13 ASN HBy 1.0 . 3.74 958 908 A 82 LYS HBy A 13 ASN HBy 1.0 . 4.92 959 909 A 13 ASN HBx A 13 ASN HD2y 1.0 . 3.66 960 910 A 13 ASN HBx A 84 ILE HG1y 1.0 . 5.38 961 911 A 38 ASN HD2x A 38 ASN HBx 1.0 . 3.95 962 911 A 38 ASN HD2x A 38 ASN HBy 1.0 . 3.95 963 912 A 35 GLU HA A 38 ASN HBx 1.0 . 3.69 964 912 A 35 GLU HA A 38 ASN HBy 1.0 . 3.69 965 913 A 39 LYS HGy A 38 ASN HBx 1.0 . 5.09 966 913 A 38 ASN HBy A 39 LYS HGy 1.0 . 5.09 967 914 A 27 THR H A 26 ASP HBy 1.0 . 4.73 968 915 A 26 ASP HBy A 30 LYS HEx 1.0 . 5.36 969 915 A 30 LYS HEy A 26 ASP HBy 1.0 . 5.36 970 916 A 48 VAL HGx% A 26 ASP HBy 1.0 . 4.87 971 917 A 27 THR H A 26 ASP HBx 1.0 . 5.00 972 918 A 45 HIS H A 60 LYS HBy 1.0 . 4.88 973 919 A 61 CYS H A 60 LYS HBx 1.0 . 5.40 974 920 A 59 VAL HGy% A 60 LYS HBx 1.0 . 5.50 975 921 A 26 ASP HBx A 25 TRP HE3 1.0 . 5.50 976 922 A 35 GLU H A 35 GLU HGy 1.0 . 3.74 977 923 A 32 ASP HA A 35 GLU HGy 1.0 . 4.83 978 924 A 35 GLU HA A 35 GLU HGy 1.0 . 3.75 979 925 A 34 ILE HG2% A 35 GLU HGy 1.0 . 5.34 980 926 A 110 PRO HGx A 35 GLU HGx 1.0 . 5.47 981 927 A 35 GLU H A 35 GLU HGx 1.0 . 3.76 982 928 A 32 ASP HA A 35 GLU HGx 1.0 . 5.09 983 929 A 34 ILE HG2% A 35 GLU HGx 1.0 . 5.50 984 930 A 45 HIS HBy A 60 LYS HBx 1.0 . 4.90 985 931 A 45 HIS HBx A 60 LYS HBx 1.0 . 4.29 986 932 A 89 VAL HB A 90 PRO HDx 1.0 . 4.79 987 933 A 11 LEU H A 57 VAL HB 1.0 . 4.54 988 934 A 58 TYR H A 57 VAL HB 1.0 . 4.94 989 935 A 94 TYR HD% A 89 VAL HB 1.0 . 4.06 990 936 A 89 VAL HB A 8 CYS HBx 1.0 . 4.59 991 937 A 11 LEU HDy% A 57 VAL HB 1.0 . 3.67 992 938 A 59 VAL HGx% A 57 VAL HB 1.0 . 5.10 993 939 A 40 HIS HD2 A 36 GLU HGx 1.0 . 5.18 994 940 A 37 CYS H A 36 GLU HGx 1.0 . 5.06 995 941 A 36 GLU H A 36 GLU HGx 1.0 . 4.70 996 942 A 36 GLU HGx A 36 GLU HBx 1.0 . 2.84 997 943 A 23 VAL H A 22 GLU HGy 1.0 . 5.15 998 944 A 22 GLU H A 22 GLU HGy 1.0 . 3.92 999 945 A 22 GLU HGy A 22 GLU HA 1.0 . 3.83 1000 946 A 23 VAL H A 22 GLU HGx 1.0 . 4.54 1001 947 A 22 GLU H A 22 GLU HGx 1.0 . 3.96 1002 948 A 25 TRP HBy A 22 GLU HGx 1.0 . 5.37 1003 949 A 21 GLU H A 21 GLU HGy 1.0 . 5.34 1004 950 A 21 GLU HGy A 21 GLU HA 1.0 . 3.55 1005 951 A 21 GLU HA A 21 GLU HGx 1.0 . 3.57 1006 952 A 89 VAL HB A 8 CYS HBy 1.0 . 4.30 1007 953 A 25 TRP HA A 28 GLU HGy 1.0 . 4.47 1008 954 A 27 THR HG2% A 28 GLU HGy 1.0 . 5.50 1009 955 A 28 GLU H A 28 GLU HGy 1.0 . 3.67 1010 956 A 28 GLU HA A 28 GLU HGy 1.0 . 3.85 1011 957 A 29 ILE H A 28 GLU HGx 1.0 . 4.65 1012 958 A 28 GLU HA A 28 GLU HGx 1.0 . 3.84 1013 959 A 64 ILE HA A 7 GLN HGx 1.0 . 4.96 1014 960 A 61 CYS H A 7 GLN HGy 1.0 . 5.25 1015 961 A 7 GLN H A 7 GLN HGy 1.0 . 3.99 1016 962 A 64 ILE H A 7 GLN HGy 1.0 . 5.50 1017 963 A 7 GLN HA A 7 GLN HGx 1.0 . 4.19 1018 964 A 82 LYS HBy A 82 LYS HEx 1.0 . 4.56 1019 965 A 82 LYS HBx A 13 ASN HBy 1.0 . 4.34 1020 966 A 82 LYS HBx A 79 PHE HBx 1.0 . 4.89 1021 967 A 13 ASN HD2x A 82 LYS HBx 1.0 . 4.59 1022 968 A 59 VAL H A 59 VAL HB 1.0 . 3.62 1023 969 A 9 PHE HE% A 59 VAL HB 1.0 . 4.43 1024 970 A 59 VAL HB A 9 PHE HZ 1.0 . 4.63 1025 971 A 9 PHE HD% A 59 VAL HB 1.0 . 4.59 1026 972 A 59 VAL HB A 43 VAL HGx% 1.0 . 4.94 1027 973 A 54 GLN H A 54 GLN HGy 1.0 . 4.04 1028 974 A 54 GLN HA A 54 GLN HGy 1.0 . 3.53 1029 975 A 53 ALA HB% A 54 GLN HGy 1.0 . 4.84 1030 976 A 56 ASN HD2x A 54 GLN HGy 1.0 . 5.50 1031 977 A 12 SER HBy A 54 GLN HGy 1.0 . 5.50 1032 978 A 54 GLN HGx A 54 GLN HA 1.0 . 3.53 1033 979 A 54 GLN HGx A 53 ALA HB% 1.0 . 5.12 1034 980 A 12 SER HBy A 54 GLN HGx 1.0 . 5.50 1035 981 A 56 ASN HD2x A 54 GLN HGx 1.0 . 5.50 1036 982 A 60 LYS HA A 45 HIS HBy 1.0 . 5.31 1037 983 A 45 HIS HBy A 101 SER HA 1.0 . 4.97 1038 984 A 45 HIS HBy A 60 LYS HBy 1.0 . 4.18 1039 985 A 60 LYS H A 45 HIS HBy 1.0 . 4.75 1040 986 A 45 HIS HBy A 101 SER HBy 1.0 . 4.75 1041 987 A 45 HIS HBx A 60 LYS HBy 1.0 . 4.02 1042 988 A 45 HIS HBx A 101 SER HBy 1.0 . 5.14 1043 989 A 59 VAL HGy% A 45 HIS HBx 1.0 . 5.50 1044 990 A 18 GLN H A 18 GLN HGy 1.0 . 3.88 1045 991 A 18 GLN HA A 18 GLN HGy 1.0 . 3.63 1046 992 A 19 THR H A 18 GLN HGy 1.0 . 5.14 1047 993 A 61 CYS HA A 43 VAL HB 1.0 . 4.14 1048 994 A 43 VAL HB A 37 CYS HA 1.0 . 5.37 1049 995 A 43 VAL HB A 37 CYS HBy 1.0 . 3.76 1050 996 A 43 VAL HB A 37 CYS HBx 1.0 . 3.44 1051 997 A 43 VAL HB A 43 VAL H 1.0 . 4.04 1052 998 A 45 HIS HBx A 44 ILE HG1x 1.0 . 5.50 1053 999 A 60 LYS HA A 45 HIS HBx 1.0 . 5.26 1054 1000 A 102 MET H A 102 MET HBy 1.0 . 3.57 1055 1001 A 20 GLU H A 20 GLU HGx 1.0 . 4.62 1056 1002 A 102 MET HBx A 99 PRO HA 1.0 . 5.09 1057 1003 A 102 MET HBx A 103 THR HG2% 1.0 . 5.43 1058 1004 A 106 GLN H A 106 GLN HGx 1.0 . 3.52 1059 1004 A 106 GLN H A 106 GLN HGy 1.0 . 3.52 1060 1005 A 105 THR H A 106 GLN HGx 1.0 . 4.50 1061 1005 A 106 GLN HGy A 105 THR H 1.0 . 4.50 1062 1006 A 106 GLN HA A 106 GLN HGx 1.0 . 3.35 1063 1006 A 106 GLN HGy A 106 GLN HA 1.0 . 3.35 1064 1007 A 106 GLN HBx A 106 GLN HGx 1.0 . 2.61 1065 1007 A 106 GLN HBy A 106 GLN HGx 1.0 . 2.61 1066 1007 A 106 GLN HGy A 106 GLN HBx 1.0 . 2.61 1067 1007 A 106 GLN HGy A 106 GLN HBy 1.0 . 2.61 1068 1008 A 105 THR HG2% A 106 GLN HGx 1.0 . 5.50 1069 1008 A 106 GLN HGy A 105 THR HG2% 1.0 . 5.50 1070 1009 A 108 LEU HDy% A 106 GLN HGx 1.0 . 4.36 1071 1009 A 106 GLN HGy A 108 LEU HDy% 1.0 . 4.36 1072 1010 A 2 GLN HA A 2 GLN HGx 1.0 . 3.78 1073 1010 A 2 GLN HGy A 2 GLN HA 1.0 . 3.78 1074 1011 A 3 PRO HDy A 2 GLN HGx 1.0 . 5.18 1075 1011 A 3 PRO HDy A 2 GLN HGy 1.0 . 5.18 1076 1012 A 3 PRO HDx A 2 GLN HGx 1.0 . 4.42 1077 1012 A 3 PRO HDx A 2 GLN HGy 1.0 . 4.42 1078 1013 A 11 LEU H A 14 MET HGy 1.0 . 5.50 1079 1014 A 15 PHE HD% A 14 MET HGy 1.0 . 5.45 1080 1015 A 14 MET HGy A 14 MET HA 1.0 . 4.15 1081 1016 A 11 LEU HDy% A 14 MET HGy 1.0 . 4.26 1082 1017 A 14 MET HGx A 14 MET HE% 1.0 . 3.96 1083 1018 A 57 VAL HGx% A 14 MET HGx 1.0 . 4.48 1084 1019 A 15 PHE HD% A 14 MET HGx 1.0 . 5.42 1085 1020 A 14 MET HA A 14 MET HGx 1.0 . 4.22 1086 1021 A 11 LEU HBy A 14 MET HGx 1.0 . 4.20 1087 1022 A 14 MET H A 14 MET HGx 1.0 . 4.08 1088 1023 A 91 LEU H A 90 PRO HBx 1.0 . 4.48 1089 1024 A 93 THR H A 90 PRO HBx 1.0 . 4.09 1090 1025 A 92 PRO HDx A 90 PRO HBx 1.0 . 3.94 1091 1026 A 10 GLN HBy A 10 GLN HE2x 1.0 . 4.97 1092 1027 A 11 LEU H A 10 GLN HBx 1.0 . 4.30 1093 1028 A 58 TYR HE% A 10 GLN HBx 1.0 . 4.94 1094 1029 A 10 GLN HE2y A 10 GLN HBx 1.0 . 4.57 1095 1030 A 10 GLN HE2x A 10 GLN HBx 1.0 . 4.42 1096 1031 A 10 GLN HGx A 10 GLN HBx 1.0 . 2.96 1097 1032 A 11 LEU H A 10 GLN HBy 1.0 . 4.84 1098 1033 A 87 ALA H A 10 GLN HGy 1.0 . 5.04 1099 1034 A 10 GLN HGy A 58 TYR HE% 1.0 . 5.50 1100 1035 A 89 VAL HGx% A 10 GLN HGy 1.0 . 4.78 1101 1036 A 10 GLN HGx A 10 GLN H 1.0 . 4.92 1102 1037 A 10 GLN HGx A 87 ALA H 1.0 . 5.26 1103 1038 A 13 ASN HD2y A 83 MET HBy 1.0 . 5.50 1104 1039 A 10 GLN HBy A 10 GLN H 1.0 . 4.00 1105 1040 A 84 ILE H A 83 MET HBy 1.0 . 4.88 1106 1041 A 83 MET HBy A 82 LYS HA 1.0 . 5.06 1107 1042 A 83 MET HBx A 84 ILE H 1.0 . 4.79 1108 1043 A 83 MET HBx A 78 TRP HA 1.0 . 5.35 1109 1044 A 83 MET HBx A 78 TRP HZ3 1.0 . 4.99 1110 1045 A 50 LYS HBx A 49 ASP HA 1.0 . 5.15 1111 1046 A 50 LYS HBx A 50 LYS HEy 1.0 . 4.78 1112 1047 A 30 LYS HBy A 30 LYS HDx 1.0 . 3.62 1113 1047 A 30 LYS HBx A 30 LYS HDx 1.0 . 3.62 1114 1047 A 30 LYS HDy A 30 LYS HBx 1.0 . 3.62 1115 1047 A 30 LYS HDy A 30 LYS HBy 1.0 . 3.62 1116 1048 A 16 ASN HA A 17 PRO HBy 1.0 . 4.90 1117 1049 A 18 GLN H A 17 PRO HBy 1.0 . 4.45 1118 1050 A 30 LYS HBy A 30 LYS HEx 1.0 . 4.54 1119 1050 A 30 LYS HBx A 30 LYS HEx 1.0 . 4.54 1120 1050 A 30 LYS HEy A 30 LYS HBx 1.0 . 4.54 1121 1050 A 30 LYS HEy A 30 LYS HBy 1.0 . 4.54 1122 1051 A 31 ASP H A 30 LYS HBx 1.0 . 3.78 1123 1051 A 31 ASP H A 30 LYS HBy 1.0 . 3.78 1124 1052 A 29 ILE H A 30 LYS HBx 1.0 . 4.92 1125 1052 A 30 LYS HBy A 29 ILE H 1.0 . 4.92 1126 1053 A 27 THR HA A 30 LYS HBx 1.0 . 3.65 1127 1053 A 30 LYS HBy A 27 THR HA 1.0 . 3.65 1128 1054 A 40 HIS HD2 A 39 LYS HBx 1.0 . 5.45 1129 1055 A 39 LYS HBx A 39 LYS HEx 1.0 . 4.95 1130 1055 A 39 LYS HBx A 39 LYS HEy 1.0 . 4.95 1131 1056 A 60 LYS HA A 8 CYS HBy 1.0 . 5.12 1132 1057 A 8 CYS HBy A 89 VAL HGx% 1.0 . 4.56 1133 1058 A 8 CYS HBy A 8 CYS H 1.0 . 3.77 1134 1059 A 94 TYR HD% A 8 CYS HBy 1.0 . 4.27 1135 1060 A 8 CYS HBy A 6 THR HB 1.0 . 4.57 1136 1061 A 8 CYS HBy A 89 VAL HGy% 1.0 . 4.71 1137 1062 A 9 PHE HD% A 8 CYS HBy 1.0 . 5.50 1138 1063 A 8 CYS H A 8 CYS HBx 1.0 . 4.19 1139 1064 A 89 VAL HGx% A 8 CYS HBx 1.0 . 4.74 1140 1065 A 94 TYR HD% A 8 CYS HBx 1.0 . 3.93 1141 1066 A 9 PHE HD% A 8 CYS HBx 1.0 . 5.13 1142 1067 A 60 LYS HA A 8 CYS HBx 1.0 . 4.54 1143 1068 A 8 CYS HBx A 89 VAL HGy% 1.0 . 4.52 1144 1069 A 44 ILE HG2% A 62 PRO HBx 1.0 . 4.22 1145 1070 A 107 LEU HDx% A 62 PRO HBx 1.0 . 4.66 1146 1071 A 40 HIS HD2 A 39 LYS HBy 1.0 . 5.30 1147 1072 A 23 VAL H A 23 VAL HB 1.0 . 2.93 1148 1073 A 77 ARG HBy A 74 LEU HA 1.0 . 3.90 1149 1074 A 77 ARG HBy A 77 ARG HDx 1.0 . 3.83 1150 1075 A 113 ARG H A 113 ARG HBx 1.0 . 3.90 1151 1076 A 48 VAL HB A 26 ASP HBx 1.0 . 5.26 1152 1077 A 48 VAL H A 48 VAL HB 1.0 . 3.25 1153 1078 A 113 ARG HGy A 113 ARG HBx 1.0 . 2.40 1154 1079 A 102 MET H A 102 MET HGy 1.0 . 3.54 1155 1080 A 113 ARG HGy A 113 ARG HA 1.0 . 3.77 1156 1081 A 113 ARG HGy A 112 ARG HDx 1.0 . 4.31 1157 1081 A 112 ARG HDy A 113 ARG HGy 1.0 . 4.31 1158 1082 A 102 MET H A 102 MET HGx 1.0 . 4.26 1159 1083 A 99 PRO HA A 102 MET HGx 1.0 . 5.40 1160 1084 A 66 ALA HA A 40 HIS HBx 1.0 . 4.72 1161 1085 A 37 CYS HA A 40 HIS HBx 1.0 . 5.01 1162 1086 A 100 ASP H A 99 PRO HBx 1.0 . 4.14 1163 1087 A 76 GLY H A 83 MET HGy 1.0 . 4.77 1164 1088 A 83 MET HGy A 83 MET HA 1.0 . 3.78 1165 1089 A 83 MET HGx A 78 TRP HA 1.0 . 5.23 1166 1090 A 21 GLU HBx A 21 GLU H 1.0 . 3.27 1167 1091 A 21 GLU HBx A 20 GLU HA 1.0 . 5.50 1168 1092 A 84 ILE H A 83 MET HGy 1.0 . 4.28 1169 1093 A 76 GLY HAx A 83 MET HGy 1.0 . 4.10 1170 1094 A 83 MET H A 83 MET HGy 1.0 . 5.25 1171 1095 A 83 MET HGx A 76 GLY H 1.0 . 5.17 1172 1096 A 83 MET HGx A 83 MET H 1.0 . 4.77 1173 1097 A 83 MET HGx A 83 MET HA 1.0 . 3.74 1174 1098 A 83 MET HGx A 76 GLY HAx 1.0 . 4.33 1175 1099 A 74 LEU H A 75 HIS HBy 1.0 . 5.42 1176 1100 A 86 ALA H A 75 HIS HBy 1.0 . 5.11 1177 1101 A 75 HIS HBy A 72 ASN HA 1.0 . 4.90 1178 1102 A 86 ALA H A 75 HIS HBx 1.0 . 4.69 1179 1103 A 7 GLN HBy A 7 GLN HE2x 1.0 . 5.14 1180 1104 A 7 GLN HBx A 64 ILE HA 1.0 . 4.50 1181 1105 A 75 HIS HBx A 85 THR HA 1.0 . 5.45 1182 1106 A 75 HIS HBx A 84 ILE HG2% 1.0 . 5.50 1183 1107 A 71 VAL H A 71 VAL HB 1.0 . 3.10 1184 1108 A 23 VAL H A 22 GLU HBy 1.0 . 3.86 1185 1109 A 22 GLU HGx A 22 GLU HBy 1.0 . 2.90 1186 1110 A 22 GLU HBy A 23 VAL HA 1.0 . 5.50 1187 1111 A 93 THR H A 92 PRO HBx 1.0 . 3.82 1188 1112 A 113 ARG H A 112 ARG HBy 1.0 . 4.61 1189 1113 A 112 ARG H A 112 ARG HBy 1.0 . 3.54 1190 1114 A 112 ARG HBy A 112 ARG HDx 1.0 . 3.51 1191 1114 A 112 ARG HDy A 112 ARG HBy 1.0 . 3.51 1192 1115 A 111 SER H A 112 ARG HBy 1.0 . 5.46 1193 1116 A 112 ARG H A 112 ARG HBx 1.0 . 3.87 1194 1117 A 112 ARG HBx A 112 ARG HDx 1.0 . 3.57 1195 1117 A 112 ARG HDy A 112 ARG HBx 1.0 . 3.57 1196 1118 A 61 CYS HBy A 66 ALA H 1.0 . 5.49 1197 1119 A 61 CYS HBy A 67 ALA H 1.0 . 4.67 1198 1120 A 61 CYS HBy A 62 PRO HDy 1.0 . 3.92 1199 1121 A 7 GLN HA A 61 CYS HBx 1.0 . 4.56 1200 1122 A 61 CYS HBx A 7 GLN HBy 1.0 . 5.39 1201 1123 A 64 ILE H A 64 ILE HG1y 1.0 . 3.61 1202 1124 A 63 SER HA A 64 ILE HG1y 1.0 . 5.50 1203 1125 A 7 GLN H A 64 ILE HG1y 1.0 . 4.87 1204 1126 A 6 THR HA A 64 ILE HG1y 1.0 . 4.30 1205 1127 A 64 ILE HG1x A 7 GLN HGy 1.0 . 5.18 1206 1128 A 64 ILE H A 64 ILE HG1x 1.0 . 4.20 1207 1129 A 6 THR HA A 64 ILE HG1x 1.0 . 3.95 1208 1130 A 64 ILE HA A 64 ILE HG1x 1.0 . 3.89 1209 1131 A 7 GLN HBy A 64 ILE HG1x 1.0 . 5.14 1210 1132 A 67 ALA HB% A 64 ILE HG1x 1.0 . 4.76 1211 1133 A 61 CYS HBy A 66 ALA HA 1.0 . 4.93 1212 1134 A 61 CYS HBx A 44 ILE H 1.0 . 5.50 1213 1135 A 61 CYS HBx A 59 VAL HGy% 1.0 . 5.50 1214 1136 A 108 LEU HDy% A 106 GLN HBx 1.0 . 4.43 1215 1136 A 106 GLN HBy A 108 LEU HDy% 1.0 . 4.43 1216 1137 A 107 LEU H A 106 GLN HBx 1.0 . 3.46 1217 1137 A 107 LEU H A 106 GLN HBy 1.0 . 3.46 1218 1138 A 106 GLN HA A 106 GLN HBx 1.0 . 2.88 1219 1138 A 106 GLN HA A 106 GLN HBy 1.0 . 2.88 1220 1139 A 44 ILE HG2% A 106 GLN HBx 1.0 . 4.90 1221 1139 A 44 ILE HG2% A 106 GLN HBy 1.0 . 4.90 1222 1140 A 105 THR H A 106 GLN HBx 1.0 . 4.12 1223 1140 A 105 THR H A 106 GLN HBy 1.0 . 4.12 1224 1141 A 31 ASP H A 30 LYS HDx 1.0 . 4.92 1225 1141 A 31 ASP H A 30 LYS HDy 1.0 . 4.92 1226 1142 A 46 ILE HD1% A 30 LYS HDx 1.0 . 3.94 1227 1142 A 30 LYS HDy A 46 ILE HD1% 1.0 . 3.94 1228 1143 A 91 LEU H A 6 THR HB 1.0 . 4.78 1229 1144 A 7 GLN H A 6 THR HB 1.0 . 3.11 1230 1145 A 86 ALA H A 85 THR HB 1.0 . 3.52 1231 1146 A 85 THR H A 85 THR HB 1.0 . 3.89 1232 1147 A 76 GLY H A 85 THR HB 1.0 . 5.50 1233 1148 A 85 THR HB A 75 HIS HE1 1.0 . 3.71 1234 1149 A 79 PHE H A 78 TRP HBy 1.0 . 4.33 1235 1150 A 79 PHE H A 78 TRP HBx 1.0 . 4.48 1236 1151 A 39 LYS H A 39 LYS HDx 1.0 . 5.06 1237 1152 A 39 LYS HBx A 39 LYS HDx 1.0 . 3.55 1238 1153 A 7 GLN HGx A 6 THR HB 1.0 . 5.50 1239 1154 A 106 GLN H A 105 THR HB 1.0 . 4.46 1240 1155 A 81 GLY H A 78 TRP HBy 1.0 . 5.05 1241 1156 A 35 GLU H A 36 GLU HBy 1.0 . 5.50 1242 1157 A 36 GLU H A 35 GLU HBy 1.0 . 3.71 1243 1158 A 32 ASP HA A 35 GLU HBy 1.0 . 4.01 1244 1159 A 37 CYS H A 36 GLU HBx 1.0 . 4.00 1245 1160 A 34 ILE HA A 34 ILE HG1x 1.0 . 4.16 1246 1160 A 34 ILE HG1y A 34 ILE HA 1.0 . 4.16 1247 1161 A 43 VAL HGy% A 34 ILE HG1x 1.0 . 5.15 1248 1161 A 34 ILE HG1y A 43 VAL HGy% 1.0 . 5.15 1249 1162 A 34 ILE HG2% A 34 ILE HG1x 1.0 . 3.47 1250 1162 A 34 ILE HG1y A 34 ILE HG2% 1.0 . 3.47 1251 1163 A 96 ASN H A 95 HIS HBx 1.0 . 4.14 1252 1163 A 96 ASN H A 95 HIS HBy 1.0 . 4.14 1253 1164 A 33 VAL HA A 36 GLU HBy 1.0 . 4.58 1254 1165 A 74 LEU HDx% A 36 GLU HBy 1.0 . 4.66 1255 1166 A 50 LYS HDx A 51 ASN H 1.0 . 5.50 1256 1167 A 50 LYS HBx A 50 LYS HDx 1.0 . 3.26 1257 1168 A 50 LYS HDx A 25 TRP HZ2 1.0 . 4.55 1258 1169 A 50 LYS HDx A 50 LYS HA 1.0 . 5.04 1259 1170 A 54 GLN H A 54 GLN HBy 1.0 . 3.96 1260 1171 A 54 GLN HE2y A 54 GLN HBy 1.0 . 4.84 1261 1172 A 28 GLU H A 28 GLU HBx 1.0 . 3.07 1262 1172 A 28 GLU H A 28 GLU HBy 1.0 . 3.07 1263 1173 A 29 ILE HB A 28 GLU HBx 1.0 . 4.54 1264 1173 A 29 ILE HB A 28 GLU HBy 1.0 . 4.54 1265 1174 A 29 ILE H A 28 GLU HBx 1.0 . 3.42 1266 1174 A 29 ILE H A 28 GLU HBy 1.0 . 3.42 1267 1175 A 28 GLU HGx A 28 GLU HBx 1.0 . 2.61 1268 1175 A 28 GLU HGx A 28 GLU HBy 1.0 . 2.61 1269 1176 A 19 THR H A 18 GLN HBy 1.0 . 4.38 1270 1177 A 56 ASN HD2x A 54 GLN HBx 1.0 . 4.32 1271 1178 A 18 GLN H A 18 GLN HBy 1.0 . 3.81 1272 1179 A 18 GLN HBx A 19 THR HG2% 1.0 . 5.35 1273 1180 A 47 TYR H A 46 ILE HG1x 1.0 . 3.95 1274 1180 A 47 TYR H A 46 ILE HG1y 1.0 . 3.95 1275 1181 A 59 VAL HA A 46 ILE HG1x 1.0 . 4.50 1276 1181 A 46 ILE HG1y A 59 VAL HA 1.0 . 4.50 1277 1182 A 43 VAL HGx% A 46 ILE HG1x 1.0 . 4.58 1278 1182 A 46 ILE HG1y A 43 VAL HGx% 1.0 . 4.58 1279 1183 A 93 THR H A 92 PRO HGy 1.0 . 4.34 1280 1184 A 91 LEU H A 92 PRO HGx 1.0 . 5.03 1281 1185 A 93 THR H A 92 PRO HGx 1.0 . 4.61 1282 1186 A 30 LYS H A 29 ILE HG1x 1.0 . 4.96 1283 1186 A 30 LYS H A 29 ILE HG1y 1.0 . 4.96 1284 1187 A 29 ILE H A 29 ILE HG1x 1.0 . 3.78 1285 1187 A 29 ILE H A 29 ILE HG1y 1.0 . 3.78 1286 1188 A 26 ASP HA A 29 ILE HG1x 1.0 . 4.68 1287 1188 A 26 ASP HA A 29 ILE HG1y 1.0 . 4.68 1288 1189 A 29 ILE HB A 29 ILE HG1x 1.0 . 2.70 1289 1189 A 29 ILE HB A 29 ILE HG1y 1.0 . 2.70 1290 1190 A 29 ILE HG2% A 29 ILE HG1x 1.0 . 3.99 1291 1190 A 29 ILE HG2% A 29 ILE HG1y 1.0 . 3.99 1292 1191 A 25 TRP HD1 A 20 GLU HBx 1.0 . 5.50 1293 1191 A 20 GLU HBy A 25 TRP HD1 1.0 . 5.50 1294 1192 A 89 VAL HA A 90 PRO HGx 1.0 . 4.29 1295 1192 A 89 VAL HA A 90 PRO HGy 1.0 . 4.29 1296 1193 A 93 THR HG2% A 90 PRO HGx 1.0 . 5.20 1297 1193 A 93 THR HG2% A 90 PRO HGy 1.0 . 5.20 1298 1194 A 88 TYR HE% A 68 ILE HG1y 1.0 . 5.50 1299 1195 A 68 ILE HG2% A 68 ILE HG1y 1.0 . 3.81 1300 1196 A 25 TRP HE3 A 29 ILE HG1x 1.0 . 5.16 1301 1196 A 25 TRP HE3 A 29 ILE HG1y 1.0 . 5.16 1302 1197 A 25 TRP HE1 A 20 GLU HBx 1.0 . 5.50 1303 1197 A 25 TRP HE1 A 20 GLU HBy 1.0 . 5.50 1304 1198 A 21 GLU H A 20 GLU HBx 1.0 . 4.32 1305 1198 A 21 GLU H A 20 GLU HBy 1.0 . 4.32 1306 1199 A 88 TYR HE% A 68 ILE HG1x 1.0 . 5.32 1307 1200 A 69 ALA H A 68 ILE HG1x 1.0 . 5.20 1308 1201 A 93 THR H A 90 PRO HGx 1.0 . 5.33 1309 1201 A 93 THR H A 90 PRO HGy 1.0 . 5.33 1310 1202 A 111 SER H A 110 PRO HGy 1.0 . 5.32 1311 1203 A 38 ASN HD2y A 110 PRO HGy 1.0 . 5.50 1312 1204 A 34 ILE HG2% A 110 PRO HGy 1.0 . 4.36 1313 1205 A 107 LEU HDx% A 62 PRO HGy 1.0 . 3.87 1314 1206 A 63 SER H A 62 PRO HGy 1.0 . 4.65 1315 1207 A 44 ILE HG2% A 62 PRO HGy 1.0 . 4.52 1316 1208 A 61 CYS HA A 62 PRO HGx 1.0 . 5.19 1317 1209 A 44 ILE HG2% A 62 PRO HGx 1.0 . 4.82 1318 1210 A 107 LEU HG A 107 LEU HA 1.0 . 3.58 1319 1211 A 111 SER H A 110 PRO HGx 1.0 . 5.31 1320 1212 A 34 ILE HG2% A 110 PRO HGx 1.0 . 3.94 1321 1213 A 84 ILE H A 84 ILE HG1y 1.0 . 3.79 1322 1214 A 84 ILE HG1y A 83 MET HA 1.0 . 4.81 1323 1215 A 84 ILE H A 84 ILE HG1x 1.0 . 3.97 1324 1216 A 66 ALA HB% A 62 PRO HGy 1.0 . 4.57 1325 1217 A 100 ASP H A 99 PRO HGy 1.0 . 4.11 1326 1218 A 107 LEU HDx% A 62 PRO HGx 1.0 . 4.21 1327 1219 A 77 ARG H A 77 ARG HGy 1.0 . 4.45 1328 1220 A 74 LEU HA A 77 ARG HGy 1.0 . 4.61 1329 1221 A 77 ARG HGy A 77 ARG HA 1.0 . 3.83 1330 1222 A 84 ILE HG1y A 78 TRP H 1.0 . 4.95 1331 1223 A 84 ILE HG1y A 79 PHE HBx 1.0 . 5.04 1332 1224 A 79 PHE HBy A 84 ILE HG1x 1.0 . 4.51 1333 1225 A 84 ILE HG1x A 84 ILE HG2% 1.0 . 3.44 1334 1226 A 16 ASN HBx A 19 THR HB 1.0 . 4.62 1335 1227 A 19 THR H A 19 THR HB 1.0 . 3.96 1336 1228 A 20 GLU H A 19 THR HB 1.0 . 4.61 1337 1229 A 16 ASN H A 19 THR HB 1.0 . 4.59 1338 1230 A 34 ILE HA A 37 CYS HBx 1.0 . 4.35 1339 1231 A 77 ARG HGx A 77 ARG HA 1.0 . 3.77 1340 1232 A 70 ALA HB% A 37 CYS HBy 1.0 . 5.25 1341 1233 A 11 LEU H A 11 LEU HG 1.0 . 4.15 1342 1234 A 59 VAL HGx% A 11 LEU HG 1.0 . 5.50 1343 1235 A 4 LEU HA A 4 LEU HG 1.0 . 4.15 1344 1236 A 108 LEU HG A 109 VAL H 1.0 . 5.18 1345 1237 A 93 THR HB A 90 PRO HBx 1.0 . 4.35 1346 1238 A 44 ILE H A 44 ILE HG1y 1.0 . 3.89 1347 1239 A 45 HIS H A 44 ILE HG1y 1.0 . 4.31 1348 1240 A 61 CYS HA A 44 ILE HG1y 1.0 . 4.81 1349 1241 A 44 ILE HG1y A 60 LYS HEx 1.0 . 4.96 1350 1242 A 11 LEU HDy% A 57 VAL HA 1.0 . 5.50 1351 1243 A 44 ILE H A 44 ILE HG1x 1.0 . 3.73 1352 1244 A 61 CYS HA A 44 ILE HG1x 1.0 . 4.59 1353 1245 A 44 ILE HG1x A 43 VAL HA 1.0 . 4.89 1354 1246 A 44 ILE HG1x A 62 PRO HA 1.0 . 4.88 1355 1247 A 44 ILE HG1x A 62 PRO HDx 1.0 . 5.50 1356 1248 A 44 ILE HG1x A 60 LYS HEx 1.0 . 5.50 1357 1249 A 62 PRO HDy A 44 ILE HG1x 1.0 . 5.50 1358 1250 A 9 PHE HD% A 11 LEU HDy% 1.0 . 5.19 1359 1251 A 11 LEU HDy% A 11 LEU HA 1.0 . 4.37 1360 1252 A 11 LEU HDy% A 33 VAL HA 1.0 . 5.49 1361 1253 A 11 LEU HBx A 11 LEU HDy% 1.0 . 3.17 1362 1254 A 11 LEU HDy% A 59 VAL HGx% 1.0 . 3.92 1363 1255 A 11 LEU HDy% A 57 VAL H 1.0 . 4.88 1364 1256 A 11 LEU HDy% A 84 ILE HA 1.0 . 5.50 1365 1257 A 97 LEU HG A 98 PHE H 1.0 . 5.13 1366 1258 A 74 LEU H A 74 LEU HDy% 1.0 . 4.04 1367 1259 A 9 PHE HE% A 74 LEU HDy% 1.0 . 3.83 1368 1260 A 9 PHE HZ A 74 LEU HDy% 1.0 . 4.20 1369 1261 A 74 LEU HA A 74 LEU HDy% 1.0 . 4.28 1370 1262 A 36 GLU HBx A 74 LEU HDy% 1.0 . 4.22 1371 1263 A 74 LEU HBy A 74 LEU HDy% 1.0 . 2.95 1372 1264 A 71 VAL HGy% A 74 LEU HDy% 1.0 . 5.38 1373 1265 A 108 LEU HDx% A 108 LEU H 1.0 . 4.09 1374 1266 A 108 LEU HDx% A 109 VAL H 1.0 . 5.14 1375 1267 A 46 ILE H A 108 LEU HDx% 1.0 . 3.78 1376 1268 A 44 ILE HA A 108 LEU HDx% 1.0 . 4.26 1377 1269 A 45 HIS HA A 108 LEU HDx% 1.0 . 3.49 1378 1270 A 108 LEU HDx% A 108 LEU HA 1.0 . 4.03 1379 1271 A 108 LEU HDx% A 108 LEU HBy 1.0 . 3.20 1380 1272 A 108 LEU HBx A 108 LEU HDx% 1.0 . 3.16 1381 1273 A 45 HIS HBy A 108 LEU HDx% 1.0 . 5.50 1382 1274 A 71 VAL HA A 74 LEU HBy 1.0 . 4.20 1383 1275 A 71 VAL HA A 74 LEU HDy% 1.0 . 5.50 1384 1276 A 30 LYS HA A 30 LYS HGy 1.0 . 4.16 1385 1277 A 31 ASP H A 30 LYS HGy 1.0 . 5.20 1386 1278 A 30 LYS HA A 30 LYS HGx 1.0 . 4.10 1387 1279 A 30 LYS HGx A 46 ILE HD1% 1.0 . 4.11 1388 1280 A 75 HIS H A 74 LEU HDy% 1.0 . 5.36 1389 1281 A 43 VAL H A 107 LEU HDy% 1.0 . 4.54 1390 1282 A 107 LEU H A 107 LEU HDy% 1.0 . 3.74 1391 1283 A 107 LEU HDy% A 107 LEU HA 1.0 . 3.80 1392 1284 A 42 GLY HAx A 107 LEU HDy% 1.0 . 4.84 1393 1285 A 107 LEU HDy% A 62 PRO HDx 1.0 . 5.50 1394 1286 A 107 LEU HBx A 107 LEU HDy% 1.0 . 3.25 1395 1287 A 33 VAL HA A 74 LEU HDy% 1.0 . 3.60 1396 1288 A 39 LYS H A 39 LYS HGy 1.0 . 3.94 1397 1289 A 39 LYS HGy A 39 LYS HA 1.0 . 3.95 1398 1290 A 39 LYS HGx A 39 LYS HEx 1.0 . 4.22 1399 1290 A 39 LYS HGx A 39 LYS HEy 1.0 . 4.22 1400 1291 A 91 LEU H A 91 LEU HDx% 1.0 . 4.46 1401 1292 A 7 GLN H A 91 LEU HDx% 1.0 . 4.39 1402 1293 A 6 THR HB A 91 LEU HDx% 1.0 . 4.41 1403 1294 A 91 LEU HA A 91 LEU HDx% 1.0 . 3.85 1404 1295 A 92 PRO HDy A 91 LEU HDx% 1.0 . 5.08 1405 1296 A 7 GLN HGx A 91 LEU HDx% 1.0 . 4.18 1406 1297 A 4 LEU HDy% A 3 PRO HBx 1.0 . 4.12 1407 1298 A 91 LEU HDx% A 91 LEU HBx 1.0 . 2.98 1408 1298 A 91 LEU HBy A 91 LEU HDx% 1.0 . 2.98 1409 1299 A 7 GLN HE2x A 91 LEU HDx% 1.0 . 5.50 1410 1300 A 91 LEU H A 91 LEU HDy% 1.0 . 4.30 1411 1301 A 94 TYR H A 91 LEU HDy% 1.0 . 5.50 1412 1302 A 7 GLN HE2x A 91 LEU HDy% 1.0 . 5.50 1413 1303 A 94 TYR HD% A 91 LEU HDy% 1.0 . 5.50 1414 1304 A 91 LEU HA A 91 LEU HDy% 1.0 . 3.34 1415 1305 A 94 TYR HBy A 91 LEU HDy% 1.0 . 4.39 1416 1306 A 7 GLN HGx A 91 LEU HDy% 1.0 . 4.38 1417 1307 A 91 LEU HDy% A 91 LEU HBx 1.0 . 3.41 1418 1307 A 91 LEU HBy A 91 LEU HDy% 1.0 . 3.41 1419 1308 A 25 TRP HZ2 A 50 LYS HGy 1.0 . 5.10 1420 1309 A 25 TRP HH2 A 50 LYS HGy 1.0 . 5.43 1421 1310 A 51 ASN H A 50 LYS HGx 1.0 . 5.19 1422 1311 A 50 LYS H A 50 LYS HGx 1.0 . 4.11 1423 1312 A 25 TRP HZ2 A 50 LYS HGx 1.0 . 4.64 1424 1313 A 10 GLN H A 86 ALA HB% 1.0 . 5.35 1425 1314 A 86 ALA H A 86 ALA HB% 1.0 . 3.47 1426 1315 A 60 LYS H A 60 LYS HGx 1.0 . 4.50 1427 1316 A 87 ALA H A 86 ALA HB% 1.0 . 3.35 1428 1317 A 9 PHE HE% A 86 ALA HB% 1.0 . 5.00 1429 1318 A 9 PHE HD% A 86 ALA HB% 1.0 . 4.14 1430 1319 A 86 ALA HB% A 87 ALA HA 1.0 . 5.06 1431 1320 A 86 ALA HB% A 75 HIS HA 1.0 . 4.10 1432 1321 A 75 HIS HBy A 86 ALA HB% 1.0 . 3.89 1433 1322 A 75 HIS HBx A 86 ALA HB% 1.0 . 3.46 1434 1323 A 71 VAL HA A 86 ALA HB% 1.0 . 3.73 1435 1324 A 86 ALA HB% A 11 LEU HDx% 1.0 . 3.21 1436 1325 A 71 VAL HGy% A 86 ALA HB% 1.0 . 3.63 1437 1326 A 4 LEU HDy% A 4 LEU H 1.0 . 4.66 1438 1327 A 4 LEU HDy% A 5 ALA H 1.0 . 4.33 1439 1328 A 4 LEU HDy% A 4 LEU HA 1.0 . 3.91 1440 1329 A 4 LEU HDy% A 4 LEU HBx 1.0 . 2.88 1441 1330 A 6 THR HG2% A 91 LEU HDx% 1.0 . 3.76 1442 1331 A 34 ILE HA A 37 CYS HBy 1.0 . 4.24 1443 1332 A 83 MET H A 82 LYS HGy 1.0 . 4.48 1444 1333 A 82 LYS HGy A 82 LYS HA 1.0 . 3.58 1445 1334 A 82 LYS HGy A 13 ASN HBy 1.0 . 5.33 1446 1335 A 13 ASN HD2x A 82 LYS HGy 1.0 . 5.50 1447 1336 A 59 VAL H A 59 VAL HGy% 1.0 . 4.47 1448 1337 A 60 LYS H A 59 VAL HGy% 1.0 . 3.41 1449 1338 A 59 VAL HGy% A 45 HIS H 1.0 . 4.80 1450 1339 A 9 PHE HE% A 59 VAL HGy% 1.0 . 3.79 1451 1340 A 59 VAL HGy% A 9 PHE HZ 1.0 . 3.75 1452 1341 A 46 ILE HA A 59 VAL HGy% 1.0 . 4.71 1453 1342 A 60 LYS HA A 59 VAL HGy% 1.0 . 4.26 1454 1343 A 59 VAL HGy% A 59 VAL HA 1.0 . 3.30 1455 1344 A 61 CYS HBy A 59 VAL HGy% 1.0 . 5.50 1456 1345 A 59 VAL HGy% A 37 CYS HBy 1.0 . 5.40 1457 1346 A 59 VAL HGy% A 37 CYS HBx 1.0 . 4.45 1458 1347 A 59 VAL HGy% A 43 VAL HB 1.0 . 4.24 1459 1348 A 46 ILE HB A 59 VAL HGy% 1.0 . 4.32 1460 1349 A 45 HIS H A 43 VAL HGx% 1.0 . 3.43 1461 1350 A 44 ILE HA A 43 VAL HGx% 1.0 . 5.50 1462 1351 A 43 VAL HGx% A 61 CYS HA 1.0 . 4.17 1463 1352 A 43 VAL HGx% A 43 VAL HA 1.0 . 3.56 1464 1353 A 43 VAL HGx% A 42 GLY HAx 1.0 . 5.50 1465 1354 A 45 HIS HBy A 43 VAL HGx% 1.0 . 4.66 1466 1355 A 63 SER HBx A 65 ALA H 1.0 . 4.66 1467 1356 A 63 SER HBx A 67 ALA HB% 1.0 . 5.50 1468 1357 A 27 THR HA A 30 LYS HDx 1.0 . 4.19 1469 1357 A 30 LYS HDy A 27 THR HA 1.0 . 4.19 1470 1358 A 46 ILE H A 43 VAL HGx% 1.0 . 5.50 1471 1359 A 43 VAL HGx% A 37 CYS HBy 1.0 . 4.58 1472 1360 A 59 VAL HGy% A 43 VAL HGx% 1.0 . 2.99 1473 1361 A 59 VAL HGx% A 43 VAL HGx% 1.0 . 4.81 1474 1362 A 93 THR HA A 97 LEU HDx% 1.0 . 5.43 1475 1363 A 93 THR HA A 92 PRO HBx 1.0 . 5.06 1476 1364 A 93 THR HA A 96 ASN HD2y 1.0 . 5.50 1477 1364 A 93 THR HA A 96 ASN HD2x 1.0 . 5.50 1478 1365 A 93 THR HA A 94 TYR HA 1.0 . 4.88 1479 1366 A 95 HIS H A 93 THR HA 1.0 . 5.50 1480 1367 A 12 SER HBy A 56 ASN HD2y 1.0 . 5.34 1481 1368 A 13 ASN HBx A 12 SER HBy 1.0 . 5.46 1482 1369 A 98 PHE H A 99 PRO HA 1.0 . 4.62 1483 1370 A 102 MET H A 99 PRO HA 1.0 . 4.36 1484 1371 A 93 THR HA A 96 ASN HBx 1.0 . 3.90 1485 1372 A 13 ASN HD2x A 12 SER HBy 1.0 . 5.50 1486 1373 A 12 SER HBy A 54 GLN HBy 1.0 . 5.24 1487 1374 A 12 SER HBx A 56 ASN HD2x 1.0 . 5.38 1488 1375 A 7 GLN HBy A 64 ILE HA 1.0 . 4.53 1489 1376 A 64 ILE HA A 64 ILE HG1y 1.0 . 3.66 1490 1377 A 63 SER H A 64 ILE HA 1.0 . 5.50 1491 1378 A 33 VAL HA A 11 LEU HDx% 1.0 . 5.50 1492 1379 A 6 THR H A 4 LEU HDx% 1.0 . 5.45 1493 1380 A 95 HIS H A 92 PRO HA 1.0 . 4.33 1494 1381 A 92 PRO HA A 95 HIS HBx 1.0 . 3.82 1495 1381 A 95 HIS HBy A 92 PRO HA 1.0 . 3.82 1496 1382 A 57 VAL HGx% A 11 LEU H 1.0 . 5.40 1497 1383 A 57 VAL HGx% A 58 TYR H 1.0 . 4.47 1498 1384 A 57 VAL HGx% A 15 PHE HD% 1.0 . 4.41 1499 1385 A 57 VAL HGx% A 56 ASN HA 1.0 . 4.79 1500 1386 A 57 VAL HGx% A 57 VAL HA 1.0 . 3.57 1501 1387 A 57 VAL HGx% A 48 VAL HA 1.0 . 3.80 1502 1388 A 57 VAL HGx% A 14 MET HGy 1.0 . 4.13 1503 1389 A 57 VAL HGx% A 14 MET HBx 1.0 . 3.73 1504 1390 A 57 VAL HGx% A 48 VAL HGy% 1.0 . 3.87 1505 1391 A 57 VAL HGx% A 12 SER HA 1.0 . 5.50 1506 1392 A 86 ALA H A 11 LEU HDx% 1.0 . 4.69 1507 1393 A 11 LEU H A 11 LEU HDx% 1.0 . 4.47 1508 1394 A 87 ALA H A 11 LEU HDx% 1.0 . 4.12 1509 1395 A 9 PHE HE% A 11 LEU HDx% 1.0 . 3.53 1510 1396 A 11 LEU HA A 11 LEU HDx% 1.0 . 3.10 1511 1397 A 11 LEU HBx A 11 LEU HDx% 1.0 . 3.02 1512 1398 A 33 VAL H A 33 VAL HGy% 1.0 . 3.13 1513 1399 A 30 LYS H A 33 VAL HGy% 1.0 . 5.33 1514 1400 A 33 VAL HA A 33 VAL HGy% 1.0 . 3.07 1515 1401 A 32 ASP HBy A 33 VAL HGy% 1.0 . 4.42 1516 1402 A 5 ALA H A 4 LEU HDx% 1.0 . 4.35 1517 1403 A 4 LEU HDx% A 4 LEU HA 1.0 . 3.23 1518 1404 A 4 LEU HBx A 4 LEU HDx% 1.0 . 3.44 1519 1405 A 34 ILE H A 33 VAL HGy% 1.0 . 4.42 1520 1406 A 9 PHE HE% A 33 VAL HGy% 1.0 . 5.50 1521 1407 A 32 ASP HBx A 33 VAL HGy% 1.0 . 4.39 1522 1408 A 71 VAL HGy% A 10 GLN H 1.0 . 5.29 1523 1409 A 87 ALA H A 71 VAL HGy% 1.0 . 5.36 1524 1410 A 71 VAL HGy% A 71 VAL H 1.0 . 3.16 1525 1411 A 71 VAL HGy% A 72 ASN H 1.0 . 4.30 1526 1412 A 70 ALA H A 71 VAL HGy% 1.0 . 4.67 1527 1413 A 9 PHE HE% A 71 VAL HGy% 1.0 . 4.66 1528 1414 A 9 PHE HD% A 71 VAL HGy% 1.0 . 3.46 1529 1415 A 71 VAL HGy% A 9 PHE HA 1.0 . 5.03 1530 1416 A 68 ILE HA A 71 VAL HGy% 1.0 . 4.28 1531 1417 A 71 VAL HGy% A 9 PHE HBy 1.0 . 3.76 1532 1418 A 71 VAL HGy% A 71 VAL HA 1.0 . 3.07 1533 1419 A 71 VAL HGy% A 70 ALA HB% 1.0 . 4.40 1534 1420 A 44 ILE HA A 107 LEU HDx% 1.0 . 4.47 1535 1421 A 61 CYS HA A 107 LEU HDx% 1.0 . 4.60 1536 1422 A 107 LEU HDx% A 107 LEU HA 1.0 . 2.92 1537 1423 A 107 LEU HDx% A 42 GLY HAx 1.0 . 4.00 1538 1424 A 107 LEU HDx% A 62 PRO HDx 1.0 . 4.46 1539 1425 A 44 ILE HG2% A 107 LEU HDx% 1.0 . 3.44 1540 1426 A 34 ILE H A 33 VAL HGx% 1.0 . 4.25 1541 1427 A 33 VAL H A 33 VAL HGx% 1.0 . 4.10 1542 1428 A 33 VAL HA A 33 VAL HGx% 1.0 . 3.27 1543 1429 A 37 CYS HBx A 33 VAL HGx% 1.0 . 3.50 1544 1430 A 75 HIS H A 74 LEU HDx% 1.0 . 5.33 1545 1431 A 9 PHE HE% A 33 VAL HGx% 1.0 . 5.22 1546 1432 A 9 PHE HZ A 33 VAL HGx% 1.0 . 5.49 1547 1433 A 74 LEU HA A 74 LEU HDx% 1.0 . 3.05 1548 1434 A 74 LEU HDx% A 36 GLU HGx 1.0 . 4.13 1549 1435 A 18 GLN H A 17 PRO HA 1.0 . 3.40 1550 1436 A 37 CYS HA A 40 HIS H 1.0 . 4.18 1551 1437 A 16 ASN HA A 17 PRO HA 1.0 . 4.87 1552 1438 A 15 PHE HD% A 17 PRO HA 1.0 . 4.43 1553 1439 A 87 ALA H A 87 ALA HB% 1.0 . 3.19 1554 1440 A 87 ALA HB% A 86 ALA HA 1.0 . 4.31 1555 1441 A 86 ALA H A 87 ALA HB% 1.0 . 5.50 1556 1442 A 88 TYR HD% A 87 ALA HB% 1.0 . 5.50 1557 1443 A 87 ALA HB% A 10 GLN H 1.0 . 4.36 1558 1444 A 53 ALA H A 52 SER HBy 1.0 . 4.79 1559 1445 A 52 SER H A 52 SER HBy 1.0 . 3.86 1560 1446 A 25 TRP HE1 A 23 VAL HA 1.0 . 5.50 1561 1447 A 24 GLY H A 23 VAL HA 1.0 . 2.80 1562 1448 A 25 TRP HD1 A 23 VAL HA 1.0 . 4.31 1563 1449 A 23 VAL HGx% A 23 VAL HA 1.0 . 3.43 1564 1450 A 101 SER HBy A 104 ALA HB% 1.0 . 4.97 1565 1451 A 45 HIS HBy A 101 SER HBx 1.0 . 5.13 1566 1452 A 111 SER H A 27 THR HG2% 1.0 . 5.00 1567 1453 A 27 THR HG2% A 31 ASP H 1.0 . 4.82 1568 1454 A 27 THR HG2% A 27 THR H 1.0 . 3.92 1569 1455 A 111 SER HBx A 27 THR HG2% 1.0 . 3.60 1570 1456 A 27 THR HG2% A 27 THR HA 1.0 . 3.19 1571 1457 A 59 VAL HGx% A 47 TYR H 1.0 . 5.26 1572 1458 A 59 VAL H A 59 VAL HGx% 1.0 . 3.70 1573 1459 A 59 VAL HGx% A 60 LYS H 1.0 . 4.42 1574 1460 A 59 VAL HGx% A 58 TYR HA 1.0 . 4.69 1575 1461 A 59 VAL HGx% A 59 VAL HA 1.0 . 3.51 1576 1462 A 96 ASN HBx A 97 LEU HDx% 1.0 . 4.45 1577 1463 A 59 VAL HGx% A 46 ILE HG1x 1.0 . 4.02 1578 1463 A 59 VAL HGx% A 46 ILE HG1y 1.0 . 4.02 1579 1464 A 68 ILE HA A 72 ASN H 1.0 . 4.59 1580 1465 A 68 ILE HA A 88 TYR HE% 1.0 . 4.10 1581 1466 A 68 ILE HA A 71 VAL HB 1.0 . 3.46 1582 1467 A 45 HIS HD2 A 101 SER HBx 1.0 . 5.28 1583 1468 A 101 SER HBx A 104 ALA HB% 1.0 . 5.45 1584 1469 A 5 ALA H A 6 THR HG2% 1.0 . 4.91 1585 1470 A 91 LEU H A 6 THR HG2% 1.0 . 3.76 1586 1471 A 6 THR HG2% A 7 GLN H 1.0 . 3.62 1587 1472 A 88 TYR HD% A 6 THR HG2% 1.0 . 4.18 1588 1473 A 6 THR H A 6 THR HG2% 1.0 . 3.64 1589 1474 A 6 THR HG2% A 91 LEU HA 1.0 . 4.87 1590 1475 A 88 TYR HBy A 6 THR HG2% 1.0 . 3.84 1591 1476 A 8 CYS HBy A 6 THR HG2% 1.0 . 5.50 1592 1477 A 6 THR HG2% A 5 ALA HA 1.0 . 4.17 1593 1478 A 27 THR HG2% A 28 GLU H 1.0 . 4.37 1594 1479 A 43 VAL H A 43 VAL HGy% 1.0 . 3.33 1595 1480 A 97 LEU H A 97 LEU HDx% 1.0 . 4.20 1596 1481 A 98 PHE HE% A 97 LEU HDx% 1.0 . 4.91 1597 1482 A 97 LEU HBx A 97 LEU HDx% 1.0 . 3.34 1598 1483 A 98 PHE H A 97 LEU HDx% 1.0 . 5.07 1599 1484 A 44 ILE H A 62 PRO HA 1.0 . 5.50 1600 1485 A 7 GLN HE2y A 62 PRO HA 1.0 . 4.08 1601 1486 A 68 ILE HA A 68 ILE HG1y 1.0 . 3.66 1602 1487 A 68 ILE HA A 68 ILE HG1x 1.0 . 3.47 1603 1488 A 71 VAL HGx% A 68 ILE HA 1.0 . 5.42 1604 1489 A 108 LEU H A 43 VAL HGy% 1.0 . 4.03 1605 1490 A 45 HIS H A 43 VAL HGy% 1.0 . 4.32 1606 1491 A 43 VAL HGy% A 42 GLY HAx 1.0 . 4.47 1607 1492 A 34 ILE HA A 43 VAL HGy% 1.0 . 3.25 1608 1493 A 43 VAL HGy% A 37 CYS HBy 1.0 . 3.64 1609 1494 A 37 CYS HBx A 43 VAL HGy% 1.0 . 3.61 1610 1495 A 29 ILE HA A 32 ASP H 1.0 . 3.97 1611 1496 A 32 ASP HBy A 29 ILE HA 1.0 . 3.58 1612 1497 A 29 ILE HA A 28 GLU HBx 1.0 . 4.74 1613 1497 A 29 ILE HA A 28 GLU HBy 1.0 . 4.74 1614 1498 A 29 ILE HA A 29 ILE HG1x 1.0 . 3.65 1615 1498 A 29 ILE HA A 29 ILE HG1y 1.0 . 3.65 1616 1499 A 29 ILE HA A 31 ASP H 1.0 . 5.16 1617 1500 A 20 GLU H A 19 THR HG2% 1.0 . 4.54 1618 1501 A 16 ASN HD2x A 19 THR HG2% 1.0 . 4.33 1619 1502 A 16 ASN HBy A 19 THR HG2% 1.0 . 4.80 1620 1503 A 48 VAL HGy% A 49 ASP H 1.0 . 3.53 1621 1504 A 48 VAL HGy% A 50 LYS H 1.0 . 4.67 1622 1505 A 48 VAL HGy% A 25 TRP HE3 1.0 . 5.50 1623 1506 A 48 VAL HGy% A 25 TRP HH2 1.0 . 4.06 1624 1507 A 48 VAL HGy% A 25 TRP HZ3 1.0 . 4.01 1625 1508 A 48 VAL HGy% A 57 VAL HA 1.0 . 4.17 1626 1509 A 48 VAL HGy% A 50 LYS HA 1.0 . 4.15 1627 1510 A 48 VAL HGy% A 48 VAL HA 1.0 . 3.41 1628 1511 A 48 VAL HGy% A 26 ASP HA 1.0 . 3.98 1629 1512 A 48 VAL HGy% A 50 LYS HEx 1.0 . 4.94 1630 1513 A 103 THR HG2% A 102 MET HA 1.0 . 5.26 1631 1514 A 85 THR HG2% A 76 GLY HAx 1.0 . 5.50 1632 1515 A 108 LEU H A 108 LEU HDy% 1.0 . 3.74 1633 1516 A 109 VAL H A 108 LEU HDy% 1.0 . 3.60 1634 1517 A 46 ILE H A 108 LEU HDy% 1.0 . 5.08 1635 1518 A 44 ILE HA A 108 LEU HDy% 1.0 . 3.99 1636 1519 A 108 LEU HDy% A 108 LEU HA 1.0 . 2.87 1637 1520 A 108 LEU HBy A 108 LEU HDy% 1.0 . 3.82 1638 1521 A 108 LEU HBx A 108 LEU HDy% 1.0 . 3.83 1639 1522 A 111 SER HBx A 30 LYS HDx 1.0 . 5.50 1640 1522 A 111 SER HBx A 30 LYS HDy 1.0 . 5.50 1641 1523 A 89 VAL HGx% A 89 VAL HA 1.0 . 2.91 1642 1524 A 89 VAL HGx% A 90 PRO HDy 1.0 . 4.26 1643 1525 A 94 TYR HBx A 89 VAL HGx% 1.0 . 4.74 1644 1526 A 9 PHE H A 89 VAL HGx% 1.0 . 4.91 1645 1527 A 89 VAL HGx% A 10 GLN H 1.0 . 3.70 1646 1528 A 89 VAL H A 89 VAL HGx% 1.0 . 3.51 1647 1529 A 94 TYR HD% A 89 VAL HGx% 1.0 . 4.64 1648 1530 A 89 VAL HGx% A 9 PHE HA 1.0 . 3.46 1649 1531 A 103 THR HG2% A 102 MET HGy 1.0 . 3.00 1650 1532 A 103 THR H A 103 THR HG2% 1.0 . 3.79 1651 1533 A 103 THR HA A 103 THR HG2% 1.0 . 3.01 1652 1534 A 103 THR HG2% A 102 MET HBy 1.0 . 3.90 1653 1535 A 103 THR HG2% A 102 MET HGx 1.0 . 4.62 1654 1536 A 104 ALA H A 103 THR HG2% 1.0 . 4.70 1655 1537 A 84 ILE H A 85 THR HG2% 1.0 . 4.88 1656 1538 A 85 THR HG2% A 75 HIS HE1 1.0 . 3.61 1657 1539 A 85 THR HG2% A 85 THR H 1.0 . 3.86 1658 1540 A 13 ASN HD2x A 85 THR HG2% 1.0 . 4.60 1659 1541 A 85 THR HG2% A 85 THR HA 1.0 . 3.23 1660 1542 A 85 THR HG2% A 12 SER HBx 1.0 . 5.36 1661 1543 A 75 HIS HBx A 85 THR HG2% 1.0 . 5.03 1662 1544 A 111 SER H A 111 SER HBy 1.0 . 3.56 1663 1545 A 112 ARG HBy A 111 SER HBy 1.0 . 5.48 1664 1546 A 27 THR HG2% A 111 SER HBy 1.0 . 4.28 1665 1547 A 112 ARG H A 111 SER HBy 1.0 . 4.07 1666 1548 A 93 THR HA A 93 THR HG2% 1.0 . 3.22 1667 1549 A 94 TYR H A 93 THR HG2% 1.0 . 4.04 1668 1550 A 93 THR H A 93 THR HG2% 1.0 . 4.03 1669 1551 A 89 VAL HGx% A 90 PRO HDx 1.0 . 3.78 1670 1552 A 93 THR HG2% A 97 LEU HDx% 1.0 . 3.48 1671 1553 A 105 THR H A 105 THR HG2% 1.0 . 3.87 1672 1554 A 105 THR HG2% A 105 THR HA 1.0 . 2.97 1673 1555 A 11 LEU H A 57 VAL HGy% 1.0 . 5.23 1674 1556 A 58 TYR H A 57 VAL HGy% 1.0 . 3.57 1675 1557 A 47 TYR H A 57 VAL HGy% 1.0 . 4.37 1676 1558 A 59 VAL H A 57 VAL HGy% 1.0 . 5.35 1677 1559 A 48 VAL H A 57 VAL HGy% 1.0 . 4.23 1678 1560 A 58 TYR HD% A 57 VAL HGy% 1.0 . 5.05 1679 1561 A 46 ILE HA A 57 VAL HGy% 1.0 . 5.50 1680 1562 A 57 VAL HA A 57 VAL HGy% 1.0 . 3.46 1681 1563 A 57 VAL HGy% A 48 VAL HA 1.0 . 3.97 1682 1564 A 58 TYR HBx A 57 VAL HGy% 1.0 . 5.24 1683 1565 A 57 VAL HGy% A 46 ILE HG1x 1.0 . 4.00 1684 1565 A 46 ILE HG1y A 57 VAL HGy% 1.0 . 4.00 1685 1566 A 59 VAL HGx% A 57 VAL HGy% 1.0 . 3.50 1686 1567 A 90 PRO HA A 92 PRO HDx 1.0 . 4.36 1687 1568 A 91 LEU H A 90 PRO HA 1.0 . 2.98 1688 1569 A 90 PRO HA A 91 LEU HBx 1.0 . 4.47 1689 1569 A 90 PRO HA A 91 LEU HBy 1.0 . 4.47 1690 1570 A 6 THR HG2% A 90 PRO HA 1.0 . 3.45 1691 1571 A 5 ALA H A 3 PRO HA 1.0 . 4.91 1692 1572 A 4 LEU HBx A 3 PRO HA 1.0 . 4.82 1693 1573 A 4 LEU HDy% A 3 PRO HA 1.0 . 4.83 1694 1574 A 4 LEU H A 3 PRO HA 1.0 . 2.72 1695 1575 A 109 VAL H A 109 VAL HGx% 1.0 . 3.81 1696 1576 A 38 ASN HD2y A 109 VAL HGx% 1.0 . 4.56 1697 1577 A 38 ASN HD2x A 109 VAL HGx% 1.0 . 4.36 1698 1578 A 109 VAL HA A 109 VAL HGx% 1.0 . 3.24 1699 1579 A 108 LEU HA A 109 VAL HGx% 1.0 . 4.54 1700 1580 A 8 CYS H A 89 VAL HGy% 1.0 . 5.02 1701 1581 A 93 THR HB A 94 TYR HA 1.0 . 4.71 1702 1582 A 93 THR HG2% A 94 TYR HA 1.0 . 4.57 1703 1583 A 97 LEU HBy A 94 TYR HA 1.0 . 3.96 1704 1584 A 94 TYR HA A 97 LEU HDx% 1.0 . 3.90 1705 1585 A 89 VAL H A 89 VAL HGy% 1.0 . 4.50 1706 1586 A 94 TYR H A 89 VAL HGy% 1.0 . 3.71 1707 1587 A 94 TYR HD% A 89 VAL HGy% 1.0 . 3.69 1708 1588 A 89 VAL HGy% A 89 VAL HA 1.0 . 3.39 1709 1589 A 89 VAL HGy% A 90 PRO HDx 1.0 . 3.42 1710 1590 A 94 TYR HBy A 89 VAL HGy% 1.0 . 3.98 1711 1591 A 94 TYR HBx A 89 VAL HGy% 1.0 . 3.91 1712 1592 A 9 PHE HA A 89 VAL HGy% 1.0 . 5.12 1713 1593 A 24 GLY H A 23 VAL HGy% 1.0 . 3.60 1714 1594 A 23 VAL HGy% A 23 VAL HA 1.0 . 3.26 1715 1595 A 24 GLY HAx A 23 VAL HGy% 1.0 . 4.79 1716 1596 A 58 TYR H A 48 VAL HGx% 1.0 . 5.37 1717 1597 A 47 TYR H A 48 VAL HGx% 1.0 . 5.50 1718 1598 A 48 VAL HGx% A 47 TYR HA 1.0 . 4.47 1719 1599 A 48 VAL HGx% A 30 LYS HEx 1.0 . 4.59 1720 1599 A 30 LYS HEy A 48 VAL HGx% 1.0 . 4.59 1721 1600 A 48 VAL HGx% A 48 VAL HA 1.0 . 3.47 1722 1601 A 48 VAL HGx% A 26 ASP HA 1.0 . 4.54 1723 1602 A 97 LEU H A 94 TYR HA 1.0 . 4.16 1724 1603 A 94 TYR HD% A 94 TYR HA 1.0 . 4.10 1725 1604 A 93 THR H A 94 TYR HA 1.0 . 4.84 1726 1605 A 89 VAL HGy% A 94 TYR HA 1.0 . 4.05 1727 1606 A 94 TYR HA A 97 LEU HBx 1.0 . 4.43 1728 1607 A 94 TYR HA A 98 PHE HE% 1.0 . 5.27 1729 1608 A 48 VAL H A 48 VAL HGx% 1.0 . 3.36 1730 1609 A 48 VAL HGx% A 30 LYS H 1.0 . 4.07 1731 1610 A 111 SER H A 110 PRO HA 1.0 . 2.88 1732 1611 A 31 ASP HBx A 110 PRO HA 1.0 . 5.38 1733 1612 A 19 THR HG2% A 19 THR HA 1.0 . 3.32 1734 1613 A 86 ALA H A 71 VAL HGx% 1.0 . 5.50 1735 1614 A 71 VAL HGx% A 71 VAL H 1.0 . 3.79 1736 1615 A 75 HIS H A 71 VAL HGx% 1.0 . 4.31 1737 1616 A 71 VAL HGx% A 72 ASN H 1.0 . 3.93 1738 1617 A 71 VAL HGx% A 74 LEU H 1.0 . 5.50 1739 1618 A 88 TYR HD% A 71 VAL HGx% 1.0 . 4.83 1740 1619 A 71 VAL HGx% A 75 HIS HD2 1.0 . 5.07 1741 1620 A 71 VAL HGx% A 88 TYR HE% 1.0 . 3.98 1742 1621 A 71 VAL HGx% A 75 HIS HA 1.0 . 5.20 1743 1622 A 71 VAL HGx% A 75 HIS HBy 1.0 . 4.13 1744 1623 A 71 VAL HGx% A 75 HIS HBx 1.0 . 3.82 1745 1624 A 71 VAL HGx% A 71 VAL HA 1.0 . 3.30 1746 1625 A 71 VAL HGx% A 86 ALA HB% 1.0 . 3.35 1747 1626 A 20 GLU H A 19 THR HA 1.0 . 3.39 1748 1627 A 58 TYR H A 48 VAL HA 1.0 . 4.36 1749 1628 A 49 ASP H A 48 VAL HA 1.0 . 3.07 1750 1629 A 58 TYR HD% A 48 VAL HA 1.0 . 4.75 1751 1630 A 57 VAL HA A 48 VAL HA 1.0 . 3.49 1752 1631 A 74 LEU H A 73 ALA HB% 1.0 . 3.45 1753 1632 A 73 ALA H A 73 ALA HB% 1.0 . 2.96 1754 1633 A 70 ALA HA A 73 ALA HB% 1.0 . 3.45 1755 1634 A 73 ALA HB% A 36 GLU HGx 1.0 . 4.32 1756 1635 A 73 ALA HB% A 36 GLU HBx 1.0 . 4.25 1757 1636 A 74 LEU HDx% A 73 ALA HB% 1.0 . 4.28 1758 1637 A 44 ILE HG2% A 105 THR HA 1.0 . 3.97 1759 1638 A 105 THR HB A 105 THR HA 1.0 . 2.90 1760 1639 A 104 ALA HB% A 105 THR HA 1.0 . 5.50 1761 1640 A 84 ILE HA A 85 THR HA 1.0 . 5.11 1762 1641 A 64 ILE HA A 5 ALA HB% 1.0 . 5.50 1763 1642 A 85 THR H A 84 ILE HA 1.0 . 3.05 1764 1643 A 84 ILE HA A 13 ASN HBy 1.0 . 3.77 1765 1644 A 13 ASN HBx A 84 ILE HA 1.0 . 3.63 1766 1645 A 84 ILE HA A 84 ILE HG1x 1.0 . 4.06 1767 1646 A 13 ASN HD2x A 84 ILE HA 1.0 . 5.25 1768 1647 A 66 ALA H A 67 ALA HB% 1.0 . 4.78 1769 1648 A 67 ALA H A 67 ALA HB% 1.0 . 3.12 1770 1649 A 9 PHE HE% A 67 ALA HB% 1.0 . 3.99 1771 1650 A 64 ILE HA A 67 ALA HB% 1.0 . 3.60 1772 1651 A 61 CYS HBx A 67 ALA HB% 1.0 . 3.73 1773 1652 A 67 ALA HB% A 66 ALA HB% 1.0 . 4.42 1774 1653 A 61 CYS H A 67 ALA HB% 1.0 . 4.58 1775 1654 A 68 ILE H A 67 ALA HB% 1.0 . 3.47 1776 1655 A 9 PHE HD% A 67 ALA HB% 1.0 . 3.32 1777 1656 A 8 CYS HA A 67 ALA HB% 1.0 . 5.47 1778 1657 A 7 GLN HA A 67 ALA HB% 1.0 . 2.84 1779 1658 A 61 CYS HBy A 67 ALA HB% 1.0 . 4.39 1780 1659 A 67 ALA HB% A 64 ILE HG1y 1.0 . 4.03 1781 1660 A 64 ILE HG2% A 67 ALA HB% 1.0 . 4.13 1782 1661 A 71 VAL HGy% A 67 ALA HB% 1.0 . 4.61 1783 1662 A 4 LEU H A 5 ALA HB% 1.0 . 5.50 1784 1663 A 5 ALA H A 5 ALA HB% 1.0 . 2.98 1785 1664 A 5 ALA HB% A 6 THR HA 1.0 . 4.60 1786 1665 A 62 PRO HDy A 43 VAL HA 1.0 . 5.02 1787 1666 A 45 HIS H A 59 VAL HA 1.0 . 5.44 1788 1667 A 60 LYS H A 59 VAL HA 1.0 . 3.06 1789 1668 A 47 TYR H A 59 VAL HA 1.0 . 4.51 1790 1669 A 37 CYS HBx A 70 ALA HB% 1.0 . 4.93 1791 1670 A 44 ILE H A 43 VAL HA 1.0 . 3.24 1792 1671 A 61 CYS HA A 43 VAL HA 1.0 . 3.41 1793 1672 A 43 VAL HA A 62 PRO HDx 1.0 . 3.85 1794 1673 A 44 ILE HG2% A 43 VAL HA 1.0 . 4.28 1795 1674 A 45 HIS H A 43 VAL HA 1.0 . 4.28 1796 1675 A 71 VAL H A 70 ALA HB% 1.0 . 3.38 1797 1676 A 70 ALA H A 70 ALA HB% 1.0 . 3.03 1798 1677 A 70 ALA HB% A 9 PHE HZ 1.0 . 3.61 1799 1678 A 70 ALA HB% A 37 CYS HA 1.0 . 4.08 1800 1679 A 70 ALA HB% A 74 LEU HDy% 1.0 . 3.71 1801 1680 A 109 VAL H A 109 VAL HGy% 1.0 . 3.05 1802 1681 A 109 VAL HA A 109 VAL HGy% 1.0 . 3.45 1803 1682 A 108 LEU HA A 109 VAL HGy% 1.0 . 3.74 1804 1683 A 110 PRO HDx A 109 VAL HGy% 1.0 . 3.95 1805 1684 A 34 ILE HG2% A 109 VAL HGy% 1.0 . 4.61 1806 1685 A 57 VAL HA A 49 ASP HBy 1.0 . 4.20 1807 1686 A 63 SER H A 66 ALA HB% 1.0 . 3.43 1808 1687 A 13 ASN HBy A 84 ILE HG2% 1.0 . 4.42 1809 1688 A 84 ILE H A 84 ILE HG2% 1.0 . 3.82 1810 1689 A 76 GLY H A 84 ILE HG2% 1.0 . 4.43 1811 1690 A 11 LEU HA A 84 ILE HG2% 1.0 . 4.57 1812 1691 A 84 ILE HG2% A 85 THR HA 1.0 . 5.47 1813 1692 A 84 ILE HA A 84 ILE HG2% 1.0 . 3.25 1814 1693 A 84 ILE HG2% A 75 HIS HA 1.0 . 4.22 1815 1694 A 13 ASN HBx A 84 ILE HG2% 1.0 . 4.08 1816 1695 A 84 ILE HG1y A 84 ILE HG2% 1.0 . 3.54 1817 1696 A 104 ALA H A 101 SER HA 1.0 . 4.01 1818 1697 A 45 HIS HD2 A 101 SER HA 1.0 . 4.33 1819 1698 A 66 ALA H A 66 ALA HB% 1.0 . 3.09 1820 1699 A 67 ALA H A 66 ALA HB% 1.0 . 3.52 1821 1700 A 61 CYS HBy A 66 ALA HB% 1.0 . 3.66 1822 1701 A 61 CYS HBx A 66 ALA HB% 1.0 . 3.90 1823 1702 A 105 THR H A 104 ALA HB% 1.0 . 3.82 1824 1703 A 104 ALA H A 104 ALA HB% 1.0 . 3.01 1825 1704 A 44 ILE HG2% A 44 ILE H 1.0 . 3.78 1826 1705 A 106 GLN H A 44 ILE HG2% 1.0 . 4.81 1827 1706 A 44 ILE HG2% A 45 HIS H 1.0 . 4.65 1828 1707 A 44 ILE HG2% A 44 ILE HA 1.0 . 3.09 1829 1708 A 44 ILE HG2% A 61 CYS HA 1.0 . 4.24 1830 1709 A 44 ILE HG2% A 107 LEU HA 1.0 . 3.15 1831 1710 A 44 ILE HG2% A 62 PRO HDy 1.0 . 4.40 1832 1711 A 44 ILE HG2% A 62 PRO HDx 1.0 . 3.79 1833 1712 A 44 ILE HA A 108 LEU HBx 1.0 . 4.79 1834 1713 A 44 ILE HA A 108 LEU H 1.0 . 3.79 1835 1714 A 44 ILE HA A 108 LEU HG 1.0 . 3.45 1836 1715 A 33 VAL H A 30 LYS HA 1.0 . 4.20 1837 1716 A 33 VAL HB A 30 LYS HA 1.0 . 3.87 1838 1717 A 48 VAL HGx% A 30 LYS HA 1.0 . 3.51 1839 1718 A 106 GLN H A 104 ALA HB% 1.0 . 4.30 1840 1719 A 101 SER HA A 104 ALA HB% 1.0 . 3.48 1841 1720 A 45 HIS HBy A 104 ALA HB% 1.0 . 4.35 1842 1721 A 104 ALA HB% A 44 ILE HB 1.0 . 3.71 1843 1722 A 53 ALA HB% A 54 GLN HE2x 1.0 . 5.44 1844 1723 A 111 SER HA A 111 SER HBx 1.0 . 2.85 1845 1724 A 53 ALA H A 53 ALA HB% 1.0 . 3.30 1846 1725 A 54 GLN H A 53 ALA HB% 1.0 . 3.83 1847 1726 A 69 ALA H A 69 ALA HB% 1.0 . 3.02 1848 1727 A 40 HIS HD2 A 69 ALA HB% 1.0 . 5.50 1849 1728 A 68 ILE H A 69 ALA HB% 1.0 . 4.64 1850 1729 A 70 ALA H A 69 ALA HB% 1.0 . 3.53 1851 1730 A 40 HIS HBy A 69 ALA HB% 1.0 . 3.39 1852 1731 A 40 HIS HBx A 69 ALA HB% 1.0 . 3.80 1853 1732 A 64 ILE H A 65 ALA HB% 1.0 . 4.66 1854 1733 A 66 ALA H A 65 ALA HB% 1.0 . 3.35 1855 1734 A 35 GLU HA A 38 ASN HD2y 1.0 . 4.30 1856 1735 A 35 GLU HA A 38 ASN HD2x 1.0 . 4.80 1857 1736 A 35 GLU HA A 35 GLU HGx 1.0 . 3.09 1858 1737 A 65 ALA H A 65 ALA HB% 1.0 . 2.96 1859 1738 A 14 MET H A 29 ILE HG2% 1.0 . 4.97 1860 1739 A 29 ILE HA A 29 ILE HG2% 1.0 . 3.35 1861 1740 A 32 ASP HBy A 29 ILE HG2% 1.0 . 5.50 1862 1741 A 14 MET HBx A 29 ILE HG2% 1.0 . 3.77 1863 1742 A 103 THR HA A 104 ALA HB% 1.0 . 5.14 1864 1743 A 35 GLU HA A 110 PRO HGx 1.0 . 5.41 1865 1744 A 63 SER HBy A 65 ALA HB% 1.0 . 4.41 1866 1745 A 65 ALA HB% A 68 ILE HD1% 1.0 . 4.55 1867 1746 A 33 VAL H A 29 ILE HG2% 1.0 . 5.00 1868 1747 A 30 LYS H A 29 ILE HG2% 1.0 . 3.90 1869 1748 A 29 ILE H A 29 ILE HG2% 1.0 . 3.71 1870 1749 A 15 PHE HD% A 29 ILE HG2% 1.0 . 4.29 1871 1750 A 29 ILE HG2% A 25 TRP HZ3 1.0 . 5.50 1872 1751 A 29 ILE HG2% A 14 MET HA 1.0 . 5.27 1873 1752 A 30 LYS HA A 29 ILE HG2% 1.0 . 4.16 1874 1753 A 48 VAL HGy% A 29 ILE HG2% 1.0 . 4.13 1875 1754 A 95 HIS H A 91 LEU HA 1.0 . 4.37 1876 1755 A 86 ALA H A 85 THR HA 1.0 . 3.04 1877 1756 A 85 THR HA A 75 HIS HE1 1.0 . 4.34 1878 1757 A 86 ALA HB% A 85 THR HA 1.0 . 4.35 1879 1758 A 76 GLY H A 85 THR HA 1.0 . 3.62 1880 1759 A 93 THR H A 91 LEU HA 1.0 . 4.80 1881 1760 A 31 ASP HBy A 28 GLU HA 1.0 . 3.65 1882 1761 A 31 ASP H A 28 GLU HA 1.0 . 3.75 1883 1762 A 94 TYR HBy A 91 LEU HA 1.0 . 3.81 1884 1763 A 76 GLY HAx A 75 HIS HA 1.0 . 4.60 1885 1764 A 86 ALA H A 75 HIS HA 1.0 . 4.12 1886 1765 A 76 GLY H A 75 HIS HA 1.0 . 2.91 1887 1766 A 77 ARG H A 75 HIS HA 1.0 . 4.21 1888 1767 A 75 HIS HA A 85 THR HA 1.0 . 3.91 1889 1768 A 101 SER H A 102 MET HA 1.0 . 5.46 1890 1769 A 88 TYR HD% A 6 THR HA 1.0 . 5.22 1891 1770 A 6 THR HG2% A 6 THR HA 1.0 . 3.63 1892 1771 A 49 ASP HA A 50 LYS HA 1.0 . 4.31 1893 1772 A 102 MET HGy A 102 MET HA 1.0 . 3.95 1894 1773 A 102 MET HGx A 102 MET HA 1.0 . 3.61 1895 1774 A 104 ALA H A 102 MET HA 1.0 . 4.93 1896 1775 A 34 ILE HG2% A 35 GLU H 1.0 . 3.99 1897 1776 A 109 VAL H A 34 ILE HG2% 1.0 . 4.57 1898 1777 A 34 ILE HG2% A 38 ASN HD2y 1.0 . 4.02 1899 1778 A 34 ILE HG2% A 38 ASN HD2x 1.0 . 3.70 1900 1779 A 34 ILE HG2% A 109 VAL HA 1.0 . 3.39 1901 1780 A 35 GLU HA A 34 ILE HG2% 1.0 . 4.20 1902 1781 A 34 ILE HG2% A 110 PRO HDx 1.0 . 3.37 1903 1782 A 34 ILE HG2% A 34 ILE HA 1.0 . 3.38 1904 1783 A 34 ILE HG2% A 38 ASN HBx 1.0 . 4.38 1905 1783 A 34 ILE HG2% A 38 ASN HBy 1.0 . 4.38 1906 1784 A 34 ILE HG2% A 110 PRO HBx 1.0 . 3.59 1907 1784 A 110 PRO HBy A 34 ILE HG2% 1.0 . 3.59 1908 1785 A 34 ILE HG2% A 43 VAL HGy% 1.0 . 3.55 1909 1786 A 34 ILE HG2% A 111 SER H 1.0 . 5.50 1910 1787 A 7 GLN HGx A 6 THR HA 1.0 . 5.13 1911 1788 A 64 ILE HG2% A 6 THR HA 1.0 . 3.75 1912 1789 A 25 TRP HZ2 A 50 LYS HA 1.0 . 3.68 1913 1790 A 25 TRP HH2 A 50 LYS HA 1.0 . 3.59 1914 1791 A 50 LYS HEy A 50 LYS HA 1.0 . 5.50 1915 1792 A 50 LYS HA A 50 LYS HGx 1.0 . 3.85 1916 1793 A 52 SER H A 50 LYS HA 1.0 . 4.83 1917 1794 A 36 GLU HA A 39 LYS HBx 1.0 . 5.20 1918 1795 A 36 GLU HA A 39 LYS HDx 1.0 . 3.61 1919 1796 A 103 THR HA A 102 MET HA 1.0 . 4.94 1920 1797 A 80 ALA H A 80 ALA HB% 1.0 . 3.51 1921 1798 A 80 ALA HB% A 81 GLY H 1.0 . 4.11 1922 1799 A 79 PHE HD% A 80 ALA HB% 1.0 . 3.85 1923 1800 A 80 ALA HB% A 79 PHE HBx 1.0 . 4.39 1924 1801 A 64 ILE H A 64 ILE HG2% 1.0 . 4.43 1925 1802 A 68 ILE H A 64 ILE HG2% 1.0 . 4.75 1926 1803 A 64 ILE HG2% A 65 ALA H 1.0 . 4.06 1927 1804 A 6 THR H A 64 ILE HG2% 1.0 . 4.25 1928 1805 A 64 ILE HG2% A 65 ALA HA 1.0 . 4.13 1929 1806 A 46 ILE HA A 47 TYR H 1.0 . 3.06 1930 1807 A 46 ILE HA A 46 ILE HG1x 1.0 . 3.78 1931 1807 A 46 ILE HA A 46 ILE HG1y 1.0 . 3.78 1932 1808 A 46 ILE HA A 46 ILE HD1% 1.0 . 3.77 1933 1809 A 46 ILE HA A 59 VAL HGx% 1.0 . 4.59 1934 1810 A 46 ILE HA A 60 LYS H 1.0 . 4.27 1935 1811 A 46 ILE HA A 43 VAL HGx% 1.0 . 5.05 1936 1812 A 25 TRP HA A 25 TRP HE3 1.0 . 4.51 1937 1813 A 25 TRP HA A 25 TRP HBy 1.0 . 3.02 1938 1814 A 25 TRP HBx A 25 TRP HA 1.0 . 2.96 1939 1815 A 25 TRP HA A 28 GLU HGx 1.0 . 4.12 1940 1816 A 50 LYS HA A 25 TRP HZ3 1.0 . 5.30 1941 1817 A 101 SER HA A 102 MET HA 1.0 . 5.49 1942 1818 A 68 ILE H A 68 ILE HG2% 1.0 . 3.70 1943 1819 A 68 ILE HG2% A 72 ASN H 1.0 . 4.82 1944 1820 A 68 ILE HG2% A 72 ASN HD2y 1.0 . 3.82 1945 1821 A 69 ALA H A 68 ILE HG2% 1.0 . 3.75 1946 1822 A 68 ILE HG2% A 72 ASN HD2x 1.0 . 3.66 1947 1823 A 68 ILE HA A 68 ILE HG2% 1.0 . 3.27 1948 1824 A 68 ILE HG2% A 69 ALA HA 1.0 . 3.71 1949 1825 A 68 ILE HG2% A 69 ALA HB% 1.0 . 4.48 1950 1826 A 68 ILE HG2% A 68 ILE HG1x 1.0 . 3.27 1951 1827 A 64 ILE HA A 64 ILE HG2% 1.0 . 3.24 1952 1828 A 64 ILE HG2% A 5 ALA HB% 1.0 . 2.80 1953 1829 A 46 ILE HA A 59 VAL HA 1.0 . 3.39 1954 1830 A 25 TRP HA A 27 THR H 1.0 . 4.40 1955 1831 A 102 MET H A 102 MET HE% 1.0 . 4.52 1956 1832 A 102 MET HE% A 99 PRO HA 1.0 . 3.85 1957 1833 A 102 MET HE% A 102 MET HA 1.0 . 4.77 1958 1834 A 99 PRO HBy A 102 MET HE% 1.0 . 3.85 1959 1835 A 102 MET HE% A 102 MET HGx 1.0 . 3.68 1960 1836 A 103 THR HG2% A 102 MET HE% 1.0 . 4.42 1961 1837 A 78 TRP HE1 A 83 MET HE% 1.0 . 4.53 1962 1838 A 84 ILE H A 83 MET HE% 1.0 . 4.91 1963 1839 A 76 GLY H A 83 MET HE% 1.0 . 4.36 1964 1840 A 83 MET HE% A 78 TRP HZ2 1.0 . 4.28 1965 1841 A 83 MET HA A 83 MET HE% 1.0 . 4.03 1966 1842 A 76 GLY HAx A 83 MET HE% 1.0 . 4.10 1967 1843 A 83 MET HBx A 83 MET HE% 1.0 . 4.22 1968 1844 A 83 MET H A 83 MET HE% 1.0 . 5.32 1969 1845 A 38 ASN HD2x A 109 VAL HA 1.0 . 3.96 1970 1846 A 110 PRO HDx A 109 VAL HA 1.0 . 2.90 1971 1847 A 60 LYS H A 45 HIS HA 1.0 . 5.50 1972 1848 A 59 VAL H A 58 TYR HA 1.0 . 3.09 1973 1849 A 58 TYR HD% A 58 TYR HA 1.0 . 4.30 1974 1850 A 108 LEU HBy A 109 VAL HA 1.0 . 4.98 1975 1851 A 14 MET H A 14 MET HE% 1.0 . 4.72 1976 1852 A 33 VAL H A 14 MET HE% 1.0 . 4.78 1977 1853 A 79 PHE HD% A 14 MET HE% 1.0 . 3.97 1978 1854 A 15 PHE HD% A 14 MET HE% 1.0 . 4.74 1979 1855 A 14 MET HA A 14 MET HE% 1.0 . 3.77 1980 1856 A 29 ILE HA A 14 MET HE% 1.0 . 4.47 1981 1857 A 32 ASP HBy A 14 MET HE% 1.0 . 4.39 1982 1858 A 32 ASP HBx A 14 MET HE% 1.0 . 4.17 1983 1859 A 14 MET HGy A 14 MET HE% 1.0 . 3.19 1984 1860 A 47 TYR H A 46 ILE HG2% 1.0 . 3.91 1985 1861 A 48 VAL H A 46 ILE HG2% 1.0 . 4.68 1986 1862 A 46 ILE H A 46 ILE HG2% 1.0 . 3.44 1987 1863 A 46 ILE HA A 46 ILE HG2% 1.0 . 3.79 1988 1864 A 46 ILE HG2% A 30 LYS HEx 1.0 . 3.93 1989 1864 A 30 LYS HEy A 46 ILE HG2% 1.0 . 3.93 1990 1865 A 11 LEU H A 58 TYR HA 1.0 . 4.36 1991 1866 A 59 VAL HB A 58 TYR HA 1.0 . 4.80 1992 1867 A 111 SER H A 31 ASP HA 1.0 . 4.77 1993 1868 A 34 ILE H A 31 ASP HA 1.0 . 4.04 1994 1869 A 34 ILE HB A 31 ASP HA 1.0 . 3.37 1995 1870 A 31 ASP HA A 110 PRO HBx 1.0 . 3.89 1996 1870 A 110 PRO HBy A 31 ASP HA 1.0 . 3.89 1997 1871 A 39 LYS HA A 38 ASN HBx 1.0 . 4.45 1998 1871 A 38 ASN HBy A 39 LYS HA 1.0 . 4.45 1999 1872 A 39 LYS HGx A 39 LYS HA 1.0 . 3.42 2000 1873 A 35 GLU H A 31 ASP HA 1.0 . 4.42 2001 1874 A 12 SER HA A 56 ASN HD2y 1.0 . 4.40 2002 1875 A 80 ALA H A 79 PHE HA 1.0 . 3.08 2003 1876 A 79 PHE HD% A 79 PHE HA 1.0 . 3.91 2004 1877 A 79 PHE HA A 80 ALA HA 1.0 . 4.40 2005 1878 A 52 SER HA A 53 ALA HB% 1.0 . 4.36 2006 1879 A 40 HIS HA A 39 LYS HA 1.0 . 5.36 2007 1880 A 12 SER HA A 13 ASN H 1.0 . 3.28 2008 1881 A 12 SER HA A 56 ASN HA 1.0 . 3.53 2009 1882 A 48 VAL H A 47 TYR HA 1.0 . 2.93 2010 1883 A 48 VAL HB A 47 TYR HA 1.0 . 4.73 2011 1884 A 32 ASP HA A 33 VAL HA 1.0 . 5.36 2012 1885 A 58 TYR HBx A 47 TYR HA 1.0 . 5.50 2013 1886 A 84 ILE H A 78 TRP HA 1.0 . 4.12 2014 1887 A 79 PHE H A 78 TRP HA 1.0 . 2.96 2015 1888 A 113 ARG HA A 112 ARG HDx 1.0 . 3.83 2016 1888 A 112 ARG HDy A 113 ARG HA 1.0 . 3.83 2017 1889 A 97 LEU HG A 97 LEU HA 1.0 . 3.75 2018 1890 A 97 LEU HDx% A 97 LEU HA 1.0 . 3.13 2019 1891 A 82 LYS H A 78 TRP HA 1.0 . 4.69 2020 1892 A 20 GLU H A 18 GLN HA 1.0 . 4.72 2021 1893 A 18 GLN HGx A 18 GLN HA 1.0 . 3.45 2022 1894 A 96 ASN HBx A 97 LEU HA 1.0 . 4.94 2023 1895 A 7 GLN HA A 64 ILE HD1% 1.0 . 5.45 2024 1896 A 19 THR HG2% A 18 GLN HA 1.0 . 5.50 2025 1897 A 64 ILE HA A 68 ILE HD1% 1.0 . 5.21 2026 1898 A 111 SER H A 34 ILE HD1% 1.0 . 4.64 2027 1899 A 34 ILE H A 34 ILE HD1% 1.0 . 3.86 2028 1900 A 30 LYS H A 34 ILE HD1% 1.0 . 5.50 2029 1901 A 38 ASN HD2x A 34 ILE HD1% 1.0 . 5.50 2030 1902 A 34 ILE HD1% A 110 PRO HA 1.0 . 3.53 2031 1903 A 34 ILE HD1% A 31 ASP HA 1.0 . 3.48 2032 1904 A 30 LYS HA A 34 ILE HD1% 1.0 . 4.96 2033 1905 A 34 ILE HA A 34 ILE HD1% 1.0 . 4.24 2034 1906 A 34 ILE HD1% A 30 LYS HEx 1.0 . 4.61 2035 1906 A 30 LYS HEy A 34 ILE HD1% 1.0 . 4.61 2036 1907 A 34 ILE HB A 34 ILE HD1% 1.0 . 3.10 2037 1908 A 34 ILE HD1% A 30 LYS HDx 1.0 . 3.49 2038 1908 A 30 LYS HDy A 34 ILE HD1% 1.0 . 3.49 2039 1909 A 30 LYS HGx A 34 ILE HD1% 1.0 . 3.53 2040 1910 A 7 GLN HA A 64 ILE HA 1.0 . 3.27 2041 1911 A 7 GLN HA A 64 ILE HG2% 1.0 . 4.26 2042 1912 A 7 GLN HA A 67 ALA H 1.0 . 5.18 2043 1913 A 7 GLN HA A 6 THR H 1.0 . 5.47 2044 1914 A 74 LEU HA A 77 ARG HDx 1.0 . 4.60 2045 1915 A 77 ARG H A 74 LEU HA 1.0 . 4.84 2046 1916 A 68 ILE H A 68 ILE HD1% 1.0 . 3.76 2047 1917 A 65 ALA H A 68 ILE HD1% 1.0 . 5.18 2048 1918 A 69 ALA H A 68 ILE HD1% 1.0 . 4.34 2049 1919 A 88 TYR HE% A 68 ILE HD1% 1.0 . 5.03 2050 1920 A 68 ILE HA A 68 ILE HD1% 1.0 . 3.97 2051 1921 A 65 ALA HA A 68 ILE HD1% 1.0 . 3.42 2052 1922 A 7 GLN HA A 65 ALA H 1.0 . 5.50 2053 1923 A 22 GLU H A 21 GLU HA 1.0 . 2.90 2054 1924 A 21 GLU HA A 20 GLU HA 1.0 . 4.80 2055 1925 A 11 LEU HA A 84 ILE HD1% 1.0 . 5.50 2056 1926 A 83 MET HA A 84 ILE HD1% 1.0 . 4.92 2057 1927 A 8 CYS HA A 60 LYS HA 1.0 . 3.21 2058 1928 A 94 TYR HD% A 95 HIS HA 1.0 . 4.77 2059 1929 A 79 PHE H A 84 ILE HD1% 1.0 . 5.01 2060 1930 A 84 ILE H A 84 ILE HD1% 1.0 . 4.09 2061 1931 A 78 TRP HA A 84 ILE HD1% 1.0 . 5.50 2062 1932 A 79 PHE HA A 84 ILE HD1% 1.0 . 5.49 2063 1933 A 84 ILE HA A 84 ILE HD1% 1.0 . 3.56 2064 1934 A 79 PHE HBy A 84 ILE HD1% 1.0 . 4.01 2065 1935 A 79 PHE HBx A 84 ILE HD1% 1.0 . 3.69 2066 1936 A 84 ILE HB A 84 ILE HD1% 1.0 . 3.62 2067 1937 A 8 CYS HA A 59 VAL HGy% 1.0 . 4.76 2068 1938 A 9 PHE HD% A 8 CYS HA 1.0 . 4.13 2069 1939 A 9 PHE HA A 10 GLN H 1.0 . 3.31 2070 1940 A 89 VAL H A 9 PHE HA 1.0 . 3.47 2071 1941 A 88 TYR HD% A 9 PHE HA 1.0 . 4.75 2072 1942 A 15 PHE HD% A 14 MET HA 1.0 . 5.19 2073 1943 A 64 ILE H A 63 SER HA 1.0 . 3.13 2074 1944 A 64 ILE HB A 63 SER HA 1.0 . 4.94 2075 1945 A 25 TRP HE1 A 20 GLU HA 1.0 . 5.50 2076 1946 A 21 GLU H A 20 GLU HA 1.0 . 3.31 2077 1947 A 15 PHE HD% A 15 PHE HA 1.0 . 4.07 2078 1948 A 71 VAL HGy% A 67 ALA HA 1.0 . 5.09 2079 1949 A 9 PHE HE% A 67 ALA HA 1.0 . 3.67 2080 1950 A 9 PHE HD% A 67 ALA HA 1.0 . 4.86 2081 1951 A 67 ALA HA A 70 ALA HB% 1.0 . 3.68 2082 1952 A 112 ARG HA A 112 ARG HBx 1.0 . 2.70 2083 1953 A 112 ARG HGx A 112 ARG HA 1.0 . 3.45 2084 1954 A 78 TRP HA A 77 ARG HA 1.0 . 5.20 2085 1955 A 71 VAL H A 72 ASN HA 1.0 . 5.41 2086 1956 A 78 TRP H A 77 ARG HA 1.0 . 2.86 2087 1957 A 16 ASN H A 15 PHE HA 1.0 . 3.07 2088 1958 A 15 PHE HA A 29 ILE HD1% 1.0 . 4.54 2089 1959 A 22 GLU HA A 22 GLU HGx 1.0 . 3.71 2090 1960 A 23 VAL H A 22 GLU HA 1.0 . 2.65 2091 1961 A 23 VAL HGx% A 22 GLU HA 1.0 . 4.55 2092 1962 A 100 ASP HBy A 100 ASP HA 1.0 . 2.87 2093 1963 A 113 ARG H A 112 ARG HA 1.0 . 2.88 2094 1964 A 53 ALA HB% A 54 GLN HA 1.0 . 4.86 2095 1965 A 68 ILE HB A 65 ALA HA 1.0 . 3.36 2096 1966 A 65 ALA HA A 68 ILE HG1x 1.0 . 4.83 2097 1967 A 73 ALA H A 70 ALA HA 1.0 . 4.11 2098 1968 A 70 ALA HA A 36 GLU HBx 1.0 . 4.77 2099 1969 A 70 ALA HA A 74 LEU HDy% 1.0 . 4.86 2100 1970 A 70 ALA HA A 36 GLU HGx 1.0 . 5.50 2101 1971 A 108 LEU H A 107 LEU HA 1.0 . 2.87 2102 1972 A 44 ILE HA A 107 LEU HA 1.0 . 4.15 2103 1973 A 54 GLN HA A 56 ASN HD2y 1.0 . 5.50 2104 1974 A 37 CYS HA A 70 ALA HA 1.0 . 4.74 2105 1975 A 28 GLU H A 26 ASP HA 1.0 . 4.39 2106 1976 A 26 ASP HA A 25 TRP HE3 1.0 . 4.04 2107 1977 A 29 ILE HB A 26 ASP HA 1.0 . 3.44 2108 1978 A 26 ASP HA A 29 ILE HD1% 1.0 . 4.43 2109 1979 A 29 ILE H A 29 ILE HD1% 1.0 . 4.11 2110 1980 A 29 ILE HD1% A 25 TRP HE3 1.0 . 3.76 2111 1981 A 15 PHE HD% A 29 ILE HD1% 1.0 . 3.69 2112 1982 A 25 TRP HH2 A 29 ILE HD1% 1.0 . 5.43 2113 1983 A 29 ILE HD1% A 25 TRP HZ3 1.0 . 3.88 2114 1984 A 25 TRP HA A 29 ILE HD1% 1.0 . 5.50 2115 1985 A 29 ILE HA A 29 ILE HD1% 1.0 . 3.77 2116 1986 A 15 PHE HBx A 29 ILE HD1% 1.0 . 4.11 2117 1987 A 14 MET HBx A 29 ILE HD1% 1.0 . 4.21 2118 1988 A 29 ILE HB A 29 ILE HD1% 1.0 . 3.13 2119 1989 A 29 ILE HG2% A 29 ILE HD1% 1.0 . 3.33 2120 1990 A 48 VAL HGy% A 29 ILE HD1% 1.0 . 4.45 2121 1991 A 64 ILE H A 64 ILE HD1% 1.0 . 3.91 2122 1992 A 7 GLN H A 64 ILE HD1% 1.0 . 4.22 2123 1993 A 65 ALA H A 64 ILE HD1% 1.0 . 4.82 2124 1994 A 6 THR H A 64 ILE HD1% 1.0 . 5.04 2125 1995 A 63 SER HA A 64 ILE HD1% 1.0 . 5.07 2126 1996 A 6 THR HA A 64 ILE HD1% 1.0 . 3.48 2127 1997 A 64 ILE HA A 64 ILE HD1% 1.0 . 3.91 2128 1998 A 64 ILE HB A 64 ILE HD1% 1.0 . 2.77 2129 1999 A 64 ILE HG2% A 64 ILE HD1% 1.0 . 2.86 2130 2000 A 106 GLN H A 44 ILE HD1% 1.0 . 5.50 2131 2001 A 104 ALA H A 44 ILE HD1% 1.0 . 5.27 2132 2002 A 44 ILE H A 44 ILE HD1% 1.0 . 4.09 2133 2003 A 7 GLN HE2y A 44 ILE HD1% 1.0 . 4.61 2134 2004 A 7 GLN HE2x A 44 ILE HD1% 1.0 . 4.75 2135 2005 A 44 ILE HA A 44 ILE HD1% 1.0 . 4.46 2136 2006 A 62 PRO HA A 44 ILE HD1% 1.0 . 3.35 2137 2007 A 62 PRO HDy A 44 ILE HD1% 1.0 . 5.30 2138 2008 A 44 ILE HB A 44 ILE HD1% 1.0 . 3.28 2139 2009 A 104 ALA HB% A 44 ILE HD1% 1.0 . 3.52 2140 2010 A 43 VAL H A 107 LEU HA 1.0 . 4.98 2141 2011 A 107 LEU H A 106 GLN HA 1.0 . 2.70 2142 2012 A 71 VAL HGx% A 72 ASN HA 1.0 . 4.26 2143 2013 A 16 ASN H A 29 ILE HD1% 1.0 . 5.50 2144 2014 A 14 MET H A 29 ILE HD1% 1.0 . 5.50 2145 2015 A 30 LYS H A 29 ILE HD1% 1.0 . 5.29 2146 2016 A 61 CYS H A 44 ILE HD1% 1.0 . 5.50 2147 2017 A 43 VAL HGy% A 38 ASN HA 1.0 . 5.30 2148 2018 A 70 ALA H A 66 ALA HA 1.0 . 4.66 2149 2019 A 83 MET HBx A 82 LYS HA 1.0 . 4.59 2150 2020 A 38 ASN HA A 41 GLY H 1.0 . 4.23 2151 2021 A 38 ASN HD2x A 38 ASN HA 1.0 . 5.50 2152 2022 A 42 GLY HAx A 38 ASN HA 1.0 . 3.43 2153 2023 A 66 ALA HA A 40 HIS HBy 1.0 . 4.17 2154 2024 A 66 ALA HA A 69 ALA HB% 1.0 . 3.61 2155 2025 A 109 VAL H A 108 LEU HA 1.0 . 2.81 2156 2026 A 40 HIS HA A 69 ALA HB% 1.0 . 4.32 2157 2027 A 83 MET H A 82 LYS HA 1.0 . 2.85 2158 2028 A 108 LEU HG A 108 LEU HA 1.0 . 3.95 2159 2029 A 84 ILE H A 83 MET HA 1.0 . 3.01 2160 2030 A 78 TRP HA A 83 MET HA 1.0 . 3.36 2161 2031 A 84 ILE HB A 83 MET HA 1.0 . 4.81 2162 2032 A 79 PHE H A 83 MET HA 1.0 . 4.19 2163 2033 A 5 ALA H A 4 LEU HA 1.0 . 2.66 2164 2034 A 6 THR H A 4 LEU HA 1.0 . 5.39 2165 2035 A 4 LEU HBx A 4 LEU HA 1.0 . 2.95 2166 2036 A 84 ILE HA A 83 MET HA 1.0 . 5.15 2167 2037 A 69 ALA HA A 72 ASN H 1.0 . 4.17 2168 2038 A 69 ALA HA A 72 ASN HD2y 1.0 . 4.72 2169 2039 A 69 ALA HA A 72 ASN HD2x 1.0 . 5.16 2170 2040 A 69 ALA HA A 72 ASN HBy 1.0 . 3.53 2171 2041 A 55 GLY H A 53 ALA HA 1.0 . 4.61 2172 2042 A 15 PHE H A 13 ASN HA 1.0 . 4.21 2173 2043 A 12 SER HA A 13 ASN HA 1.0 . 4.63 2174 2044 A 51 ASN HA A 51 ASN HD2y 1.0 . 4.82 2175 2045 A 50 LYS HBx A 51 ASN HA 1.0 . 4.61 2176 2046 A 57 VAL H A 56 ASN HA 1.0 . 3.02 2177 2047 A 56 ASN HA A 56 ASN HD2y 1.0 . 4.27 2178 2048 A 13 ASN H A 56 ASN HA 1.0 . 4.58 2179 2049 A 57 VAL HA A 56 ASN HA 1.0 . 4.62 2180 2050 A 12 SER HBy A 56 ASN HA 1.0 . 5.26 2181 2051 A 12 SER HBx A 56 ASN HA 1.0 . 5.19 2182 2052 A 11 LEU HBy A 56 ASN HA 1.0 . 4.13 2183 2053 A 105 THR HG2% A 104 ALA HA 1.0 . 4.68 2184 2054 A 106 GLN H A 104 ALA HA 1.0 . 3.80 2185 2055 A 86 ALA H A 11 LEU HA 1.0 . 5.50 2186 2056 A 11 LEU HA A 12 SER HBy 1.0 . 5.50 2187 2057 A 86 ALA HB% A 11 LEU HA 1.0 . 4.51 2188 2058 A 9 PHE HD% A 11 LEU HA 1.0 . 5.27 2189 2059 A 10 GLN HA A 10 GLN HGy 1.0 . 3.87 2190 2060 A 10 GLN HGx A 10 GLN HA 1.0 . 4.23 2191 2061 A 89 VAL HGx% A 10 GLN HA 1.0 . 5.38 2192 2062 A 11 LEU H A 10 GLN HA 1.0 . 3.10 2193 2063 A 59 VAL H A 10 GLN HA 1.0 . 4.37 2194 2064 A 11 LEU HA A 12 SER HBx 1.0 . 5.50 2195 2065 A 58 TYR HD% A 10 GLN HA 1.0 . 5.50 2196 2066 A 81 GLY H A 80 ALA HA 1.0 . 3.40 2197 2067 A 79 PHE HD% A 80 ALA HA 1.0 . 5.39 2198 2068 A 82 LYS H A 80 ALA HA 1.0 . 5.03 2199 2069 A 89 VAL H A 90 PRO HDy 1.0 . 5.50 2200 2070 A 6 THR H A 5 ALA HA 1.0 . 2.84 2201 2071 A 4 LEU HA A 5 ALA HA 1.0 . 4.72 2202 2072 A 68 ILE HG1x A 5 ALA HA 1.0 . 5.17 2203 2073 A 64 ILE HG2% A 5 ALA HA 1.0 . 4.73 2204 2074 A 6 THR HA A 5 ALA HA 1.0 . 4.75 2205 2075 A 88 TYR HBy A 5 ALA HA 1.0 . 4.64 2206 2076 A 89 VAL HGy% A 90 PRO HDy 1.0 . 4.21 2207 2077 A 89 VAL HA A 90 PRO HDy 1.0 . 3.30 2208 2078 A 89 VAL HA A 90 PRO HDx 1.0 . 3.48 2209 2079 A 93 THR HB A 90 PRO HDx 1.0 . 3.95 2210 2080 A 18 GLN H A 17 PRO HDy 1.0 . 4.26 2211 2081 A 16 ASN HA A 17 PRO HDy 1.0 . 3.41 2212 2082 A 16 ASN HBy A 17 PRO HDy 1.0 . 4.47 2213 2083 A 16 ASN HBx A 17 PRO HDy 1.0 . 4.09 2214 2084 A 16 ASN HA A 17 PRO HDx 1.0 . 3.44 2215 2085 A 16 ASN HBy A 17 PRO HDx 1.0 . 4.75 2216 2086 A 16 ASN HBx A 17 PRO HDx 1.0 . 4.38 2217 2087 A 18 GLN H A 17 PRO HDx 1.0 . 4.77 2218 2088 A 15 PHE HD% A 17 PRO HDx 1.0 . 4.60 2219 2089 A 109 VAL H A 110 PRO HDy 1.0 . 5.35 2220 2090 A 109 VAL HA A 110 PRO HDy 1.0 . 3.29 2221 2091 A 109 VAL HGx% A 110 PRO HDy 1.0 . 4.05 2222 2092 A 34 ILE HG2% A 110 PRO HDy 1.0 . 4.10 2223 2093 A 38 ASN HD2y A 110 PRO HDy 1.0 . 4.91 2224 2094 A 38 ASN HD2x A 110 PRO HDy 1.0 . 4.94 2225 2095 A 110 PRO HDx A 109 VAL HGx% 1.0 . 4.49 2226 2096 A 88 TYR H A 87 ALA HA 1.0 . 2.85 2227 2097 A 71 VAL HGx% A 87 ALA HA 1.0 . 5.45 2228 2098 A 3 PRO HDy A 2 GLN HA 1.0 . 2.91 2229 2099 A 3 PRO HDy A 4 LEU HDy% 1.0 . 5.50 2230 2100 A 3 PRO HDx A 4 LEU H 1.0 . 5.04 2231 2101 A 3 PRO HDx A 2 GLN HA 1.0 . 2.94 2232 2102 A 3 PRO HDx A 4 LEU HDy% 1.0 . 5.42 2233 2103 A 44 ILE H A 62 PRO HDy 1.0 . 4.83 2234 2104 A 63 SER H A 62 PRO HDy 1.0 . 4.35 2235 2105 A 61 CYS HA A 62 PRO HDy 1.0 . 3.65 2236 2106 A 62 PRO HDy A 66 ALA HB% 1.0 . 4.22 2237 2107 A 44 ILE H A 62 PRO HDx 1.0 . 4.45 2238 2108 A 63 SER H A 62 PRO HDx 1.0 . 4.80 2239 2109 A 61 CYS HA A 62 PRO HDx 1.0 . 3.61 2240 2110 A 61 CYS HBx A 62 PRO HDx 1.0 . 5.06 2241 2111 A 66 ALA HB% A 62 PRO HDx 1.0 . 4.80 2242 2112 A 88 TYR HBx A 87 ALA HA 1.0 . 4.48 2243 2113 A 88 TYR HD% A 87 ALA HA 1.0 . 4.70 2244 2114 A 86 ALA HA A 87 ALA HA 1.0 . 5.10 2245 2115 A 71 VAL HGy% A 86 ALA HA 1.0 . 5.50 2246 2116 A 11 LEU H A 86 ALA HA 1.0 . 5.44 2247 2117 A 86 ALA HA A 12 SER H 1.0 . 4.17 2248 2118 A 87 ALA H A 86 ALA HA 1.0 . 2.92 2249 2119 A 9 PHE HD% A 86 ALA HA 1.0 . 5.19 2250 2120 A 86 ALA HA A 11 LEU HG 1.0 . 5.48 2251 2121 A 86 ALA HA A 11 LEU HDx% 1.0 . 3.83 2252 2122 A 71 VAL HGx% A 86 ALA HA 1.0 . 5.50 2253 2123 A 18 GLN H A 16 ASN HA 1.0 . 4.83 2254 2124 A 55 GLY HAx A 16 ASN HA 1.0 . 4.91 2255 2125 A 91 LEU H A 92 PRO HDy 1.0 . 3.74 2256 2126 A 93 THR H A 92 PRO HDy 1.0 . 4.46 2257 2127 A 90 PRO HA A 92 PRO HDy 1.0 . 5.19 2258 2128 A 16 ASN HD2y A 16 ASN HA 1.0 . 4.90 2259 2129 A 91 LEU H A 92 PRO HDx 1.0 . 3.81 2260 2130 A 98 PHE H A 99 PRO HDy 1.0 . 4.77 2261 2131 A 98 PHE H A 99 PRO HDx 1.0 . 4.60 2262 2132 A 101 SER HBy A 45 HIS HE1 1.0 . 5.29 2263 2133 A 47 TYR HD% A 58 TYR HD% 1.0 . 3.48 2264 2134 A 47 TYR HD% A 47 TYR HA 1.0 . 3.71 2265 2135 A 47 TYR HD% A 49 ASP HBy 1.0 . 5.14 2266 2136 A 47 TYR HD% A 48 VAL HGx% 1.0 . 5.50 2267 2137 A 88 TYR HD% A 6 THR H 1.0 . 2.90 2268 2138 A 88 TYR HD% A 88 TYR HA 1.0 . 3.69 2269 2139 A 88 TYR HD% A 5 ALA HA 1.0 . 3.80 2270 2140 A 88 TYR HD% A 67 ALA HB% 1.0 . 4.42 2271 2141 A 88 TYR HD% A 5 ALA HB% 1.0 . 4.57 2272 2142 A 88 TYR HD% A 71 VAL HGy% 1.0 . 4.66 2273 2143 A 58 TYR HD% A 10 GLN HBy 1.0 . 5.50 2274 2144 A 15 PHE HD% A 16 ASN HA 1.0 . 5.50 2275 2145 A 15 PHE HD% A 14 MET HBx 1.0 . 3.49 2276 2146 A 94 TYR HD% A 98 PHE HBx 1.0 . 3.94 2277 2147 A 9 PHE HD% A 59 VAL HGx% 1.0 . 5.50 2278 2148 A 9 PHE HD% A 11 LEU HDx% 1.0 . 3.68 2279 2149 A 79 PHE HD% A 14 MET HA 1.0 . 5.33 2280 2150 A 79 PHE HD% A 84 ILE HG1y 1.0 . 4.55 2281 2151 A 79 PHE HD% A 84 ILE HD1% 1.0 . 4.26 2282 2152 A 9 PHE HD% A 60 LYS HA 1.0 . 5.19 2283 2153 A 79 PHE HA A 79 PHE HE% 1.0 . 5.25 2284 2154 A 80 ALA HB% A 79 PHE HE% 1.0 . 4.57 2285 2155 A 84 ILE HD1% A 79 PHE HE% 1.0 . 5.24 2286 2156 A 14 MET HE% A 79 PHE HE% 1.0 . 4.89 2287 2157 A 9 PHE HE% A 59 VAL HGx% 1.0 . 4.25 2288 2158 A 9 PHE HE% A 70 ALA HB% 1.0 . 3.90 2289 2159 A 11 LEU HDy% A 9 PHE HE% 1.0 . 3.42 2290 2160 A 58 TYR HBy A 98 PHE HE% 1.0 . 4.42 2291 2161 A 47 TYR HBx A 98 PHE HE% 1.0 . 4.83 2292 2162 A 14 MET HE% A 79 PHE HZ 1.0 . 5.14 2293 2163 A 29 ILE HG2% A 79 PHE HZ 1.0 . 4.83 2294 2164 A 29 ILE HA A 79 PHE HZ 1.0 . 5.50 2295 2165 A 71 VAL HGy% A 9 PHE HZ 1.0 . 5.50 2296 2166 A 67 ALA HA A 9 PHE HZ 1.0 . 5.46 2297 2167 A 59 VAL HGx% A 9 PHE HZ 1.0 . 4.93 2298 2168 A 22 GLU H A 25 TRP HD1 1.0 . 4.80 2299 2169 A 25 TRP HA A 25 TRP HD1 1.0 . 4.93 2300 2170 A 97 LEU HBx A 98 PHE HZ 1.0 . 5.30 2301 2171 A 47 TYR HBx A 98 PHE HZ 1.0 . 4.70 2302 2172 A 58 TYR HBx A 98 PHE HZ 1.0 . 5.20 2303 2173 A 78 TRP HD1 A 78 TRP HA 1.0 . 4.91 2304 2174 A 78 TRP HD1 A 77 ARG HA 1.0 . 4.42 2305 2175 A 78 TRP HD1 A 78 TRP HBx 1.0 . 3.76 2306 2176 A 82 LYS HA A 78 TRP HZ3 1.0 . 5.50 2307 2177 A 50 LYS HBx A 25 TRP HH2 1.0 . 4.92 2308 2178 A 25 TRP HH2 A 50 LYS HGx 1.0 . 5.02 2309 2179 A 83 MET HBx A 78 TRP HH2 1.0 . 4.96 2310 2180 A 37 CYS HBx A 40 HIS HD2 1.0 . 5.50 2311 2181 A 40 HIS HD2 A 37 CYS HA 1.0 . 3.51 2312 2182 A 40 HIS HD2 A 70 ALA HA 1.0 . 4.07 2313 2183 A 40 HIS HD2 A 36 GLU HBx 1.0 . 4.20 2314 2184 A 38 ASN H A 40 HIS HD2 1.0 . 5.36 2315 2185 A 78 TRP HE3 A 83 MET HE% 1.0 . 5.50 2316 2186 A 78 TRP HE3 A 78 TRP HA 1.0 . 4.27 2317 2187 A 78 TRP HE3 A 82 LYS HA 1.0 . 4.63 2318 2188 A 78 TRP HE3 A 83 MET HA 1.0 . 5.20 2319 2189 A 78 TRP HE3 A 78 TRP HBy 1.0 . 3.68 2320 2190 A 83 MET HBx A 78 TRP HE3 1.0 . 5.50 2321 2191 A 25 TRP HBx A 25 TRP HE3 1.0 . 3.49 2322 2192 A 29 ILE HB A 25 TRP HE3 1.0 . 4.80 2323 2193 A 88 TYR HE% A 5 ALA HA 1.0 . 4.31 2324 2194 A 88 TYR HE% A 5 ALA HB% 1.0 . 3.84 2325 2195 A 67 ALA HB% A 88 TYR HE% 1.0 . 3.55 2326 2196 A 71 VAL HGy% A 88 TYR HE% 1.0 . 3.79 2327 2197 A 47 TYR HEx A 49 ASP HA 1.0 . 3.08 2328 2198 A 47 TYR HEx A 50 LYS HEx 1.0 . 3.92 2329 2199 A 58 TYR HBy A 47 TYR HEy 1.0 . 5.00 2330 2200 A 45 HIS HD2 A 45 HIS HA 1.0 . 4.29 2331 2201 A 45 HIS HD2 A 101 SER HBy 1.0 . 5.05 2332 2202 A 45 HIS HD2 A 104 ALA HB% 1.0 . 4.94 2333 2203 A 47 TYR HEy A 49 ASP HBx 1.0 . 3.78 2334 2204 A 75 HIS HBy A 75 HIS HD2 1.0 . 3.90 2335 2205 A 86 ALA HB% A 75 HIS HD2 1.0 . 5.50 2336 2206 A 83 MET HBx A 78 TRP HZ2 1.0 . 4.93 2337 2207 A 50 LYS HBx A 25 TRP HZ2 1.0 . 4.27 2338 2208 A 48 VAL HGy% A 25 TRP HZ2 1.0 . 5.45 stop_ save_