data_nef_c25342_2mwm save_entry_information _nef_nmr_meta_data.sf_category nef_nmr_meta_data _nef_nmr_meta_data.sf_framecode entry_information _nef_nmr_meta_data.format_name nmr_exchange_format _nef_nmr_meta_data.format_version 1.1 loop_ _nef_related_entries.database_name _nef_related_entries.database_accession_code PDB 3edo PDB 2MWM stop_ save_ save_assembly _nef_molecular_system.sf_category nef_molecular_system _nef_molecular_system.sf_framecode assembly loop_ _nef_sequence.index _nef_sequence.chain_code _nef_sequence.sequence_code _nef_sequence.residue_name _nef_sequence.linking _nef_sequence.residue_variant _nef_sequence.cis_peptide 1 A 1 GLY start . false 2 A 2 MET middle . . 3 A 3 ALA middle . . 4 A 4 LYS middle . . 5 A 5 LYS middle . . 6 A 6 THR middle . . 7 A 7 LEU middle . . 8 A 8 ILE middle . . 9 A 9 LEU middle . . 10 A 10 TYR middle . . 11 A 11 TYR middle . . 12 A 12 SER middle . . 13 A 13 TRP middle . . 14 A 14 SER middle . . 15 A 15 GLY middle . false 16 A 16 GLU middle . . 17 A 17 THR middle . . 18 A 18 LYS middle . . 19 A 19 LYS middle . . 20 A 20 MET middle . . 21 A 21 ALA middle . . 22 A 22 GLU middle . . 23 A 23 LYS middle . . 24 A 24 ILE middle . . 25 A 25 ASN middle . . 26 A 26 SER middle . . 27 A 27 GLU middle . . 28 A 28 ILE middle . . 29 A 29 LYS middle . . 30 A 30 ASP middle . . 31 A 31 SER middle . . 32 A 32 GLU middle . . 33 A 33 LEU middle . . 34 A 34 LYS middle . . 35 A 35 GLU middle . . 36 A 36 VAL middle . . 37 A 37 LYS middle . . 38 A 38 VAL middle . . 39 A 39 SER middle . . 40 A 40 GLU middle . . 41 A 41 GLY middle . false 42 A 42 THR middle . . 43 A 43 PHE middle . . 44 A 44 ASP middle . . 45 A 45 ALA middle . . 46 A 46 ASP middle . . 47 A 47 MET middle . . 48 A 48 TYR middle . . 49 A 49 LYS middle . . 50 A 50 THR middle . . 51 A 51 SER middle . . 52 A 52 ASP middle . . 53 A 53 ILE middle . . 54 A 54 ALA middle . . 55 A 55 LEU middle . . 56 A 56 ASP middle . . 57 A 57 GLN middle . . 58 A 58 ILE middle . . 59 A 59 GLN middle . . 60 A 60 GLY middle . false 61 A 61 ASN middle . . 62 A 62 LYS middle . . 63 A 63 ASP middle . . 64 A 64 PHE middle . . 65 A 65 PRO middle . false 66 A 66 GLU middle . . 67 A 67 ILE middle . . 68 A 68 GLN middle . . 69 A 69 LEU middle . . 70 A 70 ASP middle . . 71 A 71 ASN middle . . 72 A 72 ILE middle . . 73 A 73 ASP middle . . 74 A 74 TYR middle . . 75 A 75 ASN middle . . 76 A 76 ASN middle . . 77 A 77 TYR middle . . 78 A 78 ASP middle . . 79 A 79 LEU middle . . 80 A 80 ILE middle . . 81 A 81 LEU middle . . 82 A 82 ILE middle . . 83 A 83 GLY middle . false 84 A 84 SER middle . . 85 A 85 PRO middle . false 86 A 86 VAL middle . . 87 A 87 TRP middle . . 88 A 88 SER middle . . 89 A 89 GLY middle . false 90 A 90 TYR middle . . 91 A 91 PRO middle . false 92 A 92 ALA middle . . 93 A 93 THR middle . . 94 A 94 PRO middle . false 95 A 95 ILE middle . . 96 A 96 LYS middle . . 97 A 97 THR middle . . 98 A 98 LEU middle . . 99 A 99 LEU middle . . 100 A 100 ASP middle . . 101 A 101 GLN middle . . 102 A 102 MET middle . . 103 A 103 LYS middle . . 104 A 104 ASN middle . . 105 A 105 TYR middle . . 106 A 106 ARG middle . . 107 A 107 GLY middle . false 108 A 108 GLU middle . . 109 A 109 VAL middle . . 110 A 110 ALA middle . . 111 A 111 SER middle . . 112 A 112 PHE middle . . 113 A 113 PHE middle . . 114 A 114 THR middle . . 115 A 115 SER middle . . 116 A 116 ALA middle . . 117 A 117 GLY middle . false 118 A 118 THR middle . . 119 A 119 ASN middle . . 120 A 120 HIS middle . . 121 A 121 LYS middle . . 122 A 122 ALA middle . . 123 A 123 TYR middle . . 124 A 124 VAL middle . . 125 A 125 SER middle . . 126 A 126 HIS middle . . 127 A 127 PHE middle . . 128 A 128 ASN middle . . 129 A 129 GLU middle . . 130 A 130 TRP middle . . 131 A 131 ALA middle . . 132 A 132 ASP middle . . 133 A 133 GLY middle . false 134 A 134 LEU middle . . 135 A 135 ASN middle . . 136 A 136 VAL middle . . 137 A 137 ILE middle . . 138 A 138 GLY middle . false 139 A 139 VAL middle . . 140 A 140 ALA middle . . 141 A 141 ARG middle . . 142 A 142 ASP middle . . 143 A 143 ASP middle . . 144 A 144 SER middle . . 145 A 145 GLU middle . . 146 A 146 VAL middle . . 147 A 147 ASP middle . . 148 A 148 LYS middle . . 149 A 149 TRP middle . . 150 A 150 SER middle . . 151 A 151 LYS 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 3 ALA H H 1 8.325 0.007 A 3 ALA HA H 1 4.365 0.007 A 3 ALA HB% H 1 1.332 0.007 A 3 ALA CA C 13 49.298 0.164 A 3 ALA CB C 13 16.859 0.164 A 3 ALA N N 15 125.638 0.121 A 4 LYS H H 1 8.486 0.007 A 4 LYS HA H 1 4.227 0.007 A 4 LYS HBx H 1 1.477 0.007 A 4 LYS HBy H 1 1.647 0.007 A 4 LYS HDx H 1 1.521 0.007 A 4 LYS HDy H 1 1.618 0.007 A 4 LYS HE2 H 1 2.819 0.007 A 4 LYS HE3 H 1 2.819 0.007 A 4 LYS HGx H 1 1.284 0.007 A 4 LYS HGy H 1 1.393 0.007 A 4 LYS C C 13 174.574 0.164 A 4 LYS CA C 13 53.781 0.164 A 4 LYS CB C 13 31.490 0.164 A 4 LYS CD C 13 28.196 0.164 A 4 LYS CE C 13 39.385 0.164 A 4 LYS CG C 13 23.023 0.164 A 4 LYS N N 15 121.813 0.121 A 5 LYS H H 1 10.015 0.007 A 5 LYS HA H 1 4.518 0.007 A 5 LYS HB2 H 1 1.870 0.007 A 5 LYS HB3 H 1 1.870 0.007 A 5 LYS HGx H 1 1.465 0.007 A 5 LYS HGy H 1 1.568 0.007 A 5 LYS C C 13 174.720 0.164 A 5 LYS CA C 13 54.722 0.164 A 5 LYS CB C 13 29.785 0.164 A 5 LYS CG C 13 22.211 0.164 A 5 LYS N N 15 129.722 0.121 A 6 THR H H 1 8.538 0.007 A 6 THR HA H 1 5.654 0.007 A 6 THR HB H 1 3.719 0.007 A 6 THR HG2% H 1 0.979 0.007 A 6 THR C C 13 169.926 0.164 A 6 THR CA C 13 60.598 0.164 A 6 THR CB C 13 68.041 0.164 A 6 THR CG2 C 13 18.403 0.164 A 6 THR N N 15 126.254 0.121 A 7 LEU H H 1 8.575 0.007 A 7 LEU HA H 1 4.594 0.007 A 7 LEU HBx H 1 -0.242 0.007 A 7 LEU HBy H 1 1.172 0.007 A 7 LEU HD1% H 1 0.413 0.007 A 7 LEU HD2% H 1 0.413 0.007 A 7 LEU HG H 1 0.393 0.007 A 7 LEU C C 13 170.404 0.164 A 7 LEU CA C 13 49.933 0.164 A 7 LEU CB C 13 40.728 0.164 A 7 LEU CDx C 13 19.382 0.164 A 7 LEU CG C 13 24.235 0.164 A 7 LEU N N 15 130.775 0.121 A 8 ILE H H 1 9.217 0.007 A 8 ILE HA H 1 4.848 0.007 A 8 ILE HB H 1 1.913 0.007 A 8 ILE HD1% H 1 0.808 0.007 A 8 ILE HG1y H 1 1.583 0.007 A 8 ILE HG1x H 1 0.850 0.007 A 8 ILE HG2% H 1 0.958 0.007 A 8 ILE C C 13 170.936 0.164 A 8 ILE CA C 13 57.252 0.164 A 8 ILE CB C 13 36.935 0.164 A 8 ILE CD1 C 13 13.291 0.164 A 8 ILE CG1 C 13 25.459 0.164 A 8 ILE CG2 C 13 16.088 0.164 A 8 ILE N N 15 127.242 0.121 A 9 LEU H H 1 9.248 0.007 A 9 LEU HA H 1 5.694 0.007 A 9 LEU HBy H 1 1.558 0.007 A 9 LEU HBx H 1 1.048 0.007 A 9 LEU HD1% H 1 0.771 0.007 A 9 LEU HDy% H 1 0.772 0.007 A 9 LEU HG H 1 1.364 0.007 A 9 LEU C C 13 173.824 0.164 A 9 LEU CA C 13 49.839 0.164 A 9 LEU CB C 13 43.963 0.164 A 9 LEU CD1 C 13 23.042 0.164 A 9 LEU CDy C 13 24.900 0.164 A 9 LEU CDx C 13 23.042 0.164 A 9 LEU CG C 13 24.652 0.164 A 9 LEU N N 15 127.183 0.121 A 10 TYR H H 1 7.306 0.007 A 10 TYR HA H 1 5.514 0.007 A 10 TYR HBx H 1 2.442 0.007 A 10 TYR HBy H 1 2.620 0.007 A 10 TYR HD1 H 1 6.676 0.007 A 10 TYR HD2 H 1 6.676 0.007 A 10 TYR C C 13 167.898 0.164 A 10 TYR CA C 13 52.875 0.164 A 10 TYR CB C 13 38.436 0.164 A 10 TYR CDx C 13 122.946 0.164 A 10 TYR N N 15 113.330 0.121 A 11 TYR H H 1 7.891 0.007 A 11 TYR HA H 1 4.762 0.007 A 11 TYR HBx H 1 2.367 0.007 A 11 TYR HBy H 1 2.602 0.007 A 11 TYR HDy H 1 7.322 0.007 A 11 TYR HDx H 1 6.099 0.007 A 11 TYR HE1 H 1 7.049 0.007 A 11 TYR HE2 H 1 7.049 0.007 A 11 TYR C C 13 169.698 0.164 A 11 TYR CA C 13 54.047 0.164 A 11 TYR CB C 13 40.538 0.164 A 11 TYR CDx C 13 127.392 0.164 A 11 TYR CDy C 13 127.652 0.164 A 11 TYR CEy C 13 114.281 0.164 A 11 TYR N N 15 121.297 0.121 A 12 SER H H 1 7.557 0.007 A 12 SER HA H 1 4.679 0.007 A 12 SER HBx H 1 3.286 0.007 A 12 SER HBy H 1 3.632 0.007 A 12 SER C C 13 170.075 0.164 A 12 SER CA C 13 53.619 0.164 A 12 SER CB C 13 62.847 0.164 A 12 SER N N 15 117.763 0.121 A 13 TRP H H 1 9.755 0.007 A 13 TRP HA H 1 4.636 0.007 A 13 TRP HB2 H 1 3.793 0.007 A 13 TRP HB3 H 1 4.230 0.007 A 13 TRP HE1 H 1 10.917 0.007 A 13 TRP HE3 H 1 7.224 0.007 A 13 TRP HZ2 H 1 6.883 0.007 A 13 TRP C C 13 175.708 0.164 A 13 TRP CA C 13 58.116 0.164 A 13 TRP CB C 13 27.635 0.164 A 13 TRP CE3 C 13 116.858 0.164 A 13 TRP CZ2 C 13 109.100 0.164 A 13 TRP N N 15 135.232 0.121 A 13 TRP NE1 N 15 129.932 0.121 A 14 SER H H 1 10.026 0.007 A 14 SER HA H 1 4.223 0.007 A 14 SER HB2 H 1 4.348 0.007 A 14 SER HB3 H 1 4.348 0.007 A 14 SER C C 13 172.747 0.164 A 14 SER CA C 13 53.828 0.164 A 14 SER CB C 13 60.037 0.164 A 14 SER N N 15 113.789 0.121 A 15 GLY H H 1 7.391 0.007 A 15 GLY HAy H 1 4.279 0.007 A 15 GLY HAx H 1 3.612 0.007 A 15 GLY CA C 13 44.659 0.164 A 15 GLY N N 15 110.489 0.121 A 16 GLU H H 1 11.550 0.007 A 16 GLU HA H 1 4.063 0.007 A 16 GLU HBy H 1 2.466 0.007 A 16 GLU HBx H 1 1.996 0.007 A 16 GLU HGx H 1 2.309 0.007 A 16 GLU HGy H 1 2.480 0.007 A 16 GLU CA C 13 56.761 0.164 A 16 GLU CB C 13 26.412 0.164 A 16 GLU CG C 13 33.539 0.164 A 16 GLU N N 15 129.005 0.121 A 17 THR H H 1 11.293 0.007 A 17 THR HA H 1 4.035 0.007 A 17 THR HB H 1 3.677 0.007 A 17 THR HG2% H 1 0.995 0.007 A 17 THR C C 13 173.360 0.164 A 17 THR CA C 13 64.303 0.164 A 17 THR CB C 13 63.999 0.164 A 17 THR CG2 C 13 18.823 0.164 A 17 THR N N 15 123.016 0.121 A 18 LYS H H 1 6.940 0.007 A 18 LYS HA H 1 2.856 0.007 A 18 LYS HBx H 1 1.490 0.007 A 18 LYS HBy H 1 1.677 0.007 A 18 LYS HD2 H 1 1.582 0.007 A 18 LYS HD3 H 1 1.582 0.007 A 18 LYS HE2 H 1 2.877 0.007 A 18 LYS HE3 H 1 2.877 0.007 A 18 LYS HGx H 1 0.892 0.007 A 18 LYS HGy H 1 1.115 0.007 A 18 LYS C C 13 173.901 0.164 A 18 LYS CA C 13 56.834 0.164 A 18 LYS CB C 13 29.481 0.164 A 18 LYS CD C 13 25.692 0.164 A 18 LYS CE C 13 39.445 0.164 A 18 LYS CG C 13 21.119 0.164 A 18 LYS N N 15 120.156 0.121 A 19 LYS H H 1 7.212 0.007 A 19 LYS HA H 1 3.923 0.007 A 19 LYS HBx H 1 1.724 0.007 A 19 LYS HBy H 1 1.804 0.007 A 19 LYS HDx H 1 1.579 0.007 A 19 LYS HDy H 1 1.663 0.007 A 19 LYS HE2 H 1 2.867 0.007 A 19 LYS HE3 H 1 2.867 0.007 A 19 LYS HGx H 1 1.383 0.007 A 19 LYS HGy H 1 1.551 0.007 A 19 LYS CA C 13 56.324 0.164 A 19 LYS CB C 13 29.361 0.164 A 19 LYS CD C 13 27.000 0.164 A 19 LYS CE C 13 39.419 0.164 A 19 LYS CG C 13 22.758 0.164 A 19 LYS N N 15 117.237 0.121 A 20 MET H H 1 7.600 0.007 A 20 MET HA H 1 4.413 0.007 A 20 MET HBx H 1 1.986 0.007 A 20 MET HBy H 1 2.095 0.007 A 20 MET HE% H 1 1.846 0.007 A 20 MET HGx H 1 1.958 0.007 A 20 MET HGy H 1 2.411 0.007 A 20 MET C C 13 173.625 0.164 A 20 MET CA C 13 52.261 0.164 A 20 MET CB C 13 26.680 0.164 A 20 MET CE C 13 11.631 0.164 A 20 MET CG C 13 28.461 0.164 A 20 MET N N 15 119.268 0.121 A 21 ALA H H 1 8.738 0.007 A 21 ALA HA H 1 3.482 0.007 A 21 ALA HB% H 1 0.957 0.007 A 21 ALA C C 13 176.628 0.164 A 21 ALA CA C 13 52.374 0.164 A 21 ALA CB C 13 16.495 0.164 A 21 ALA N N 15 123.669 0.121 A 22 GLU H H 1 7.959 0.007 A 22 GLU HA H 1 3.673 0.007 A 22 GLU HBy H 1 2.026 0.007 A 22 GLU HBx H 1 1.752 0.007 A 22 GLU HGx H 1 1.995 0.007 A 22 GLU HGy H 1 2.261 0.007 A 22 GLU C C 13 176.698 0.164 A 22 GLU CA C 13 56.540 0.164 A 22 GLU CB C 13 26.434 0.164 A 22 GLU CG C 13 34.126 0.164 A 22 GLU N N 15 117.242 0.121 A 23 LYS H H 1 7.703 0.007 A 23 LYS HA H 1 3.821 0.007 A 23 LYS HBx H 1 1.714 0.007 A 23 LYS HBy H 1 2.050 0.007 A 23 LYS HDx H 1 1.369 0.007 A 23 LYS HDy H 1 1.433 0.007 A 23 LYS HE2 H 1 2.745 0.007 A 23 LYS HE3 H 1 2.745 0.007 A 23 LYS HGy H 1 1.186 0.007 A 23 LYS HGx H 1 1.110 0.007 A 23 LYS C C 13 177.389 0.164 A 23 LYS CA C 13 56.922 0.164 A 23 LYS CB C 13 29.514 0.164 A 23 LYS CD C 13 27.139 0.164 A 23 LYS CE C 13 39.261 0.164 A 23 LYS CG C 13 21.929 0.164 A 23 LYS N N 15 123.302 0.121 A 24 ILE H H 1 8.535 0.007 A 24 ILE HA H 1 3.283 0.007 A 24 ILE HB H 1 1.232 0.007 A 24 ILE HD1% H 1 -0.676 0.007 A 24 ILE HG1x H 1 0.366 0.007 A 24 ILE HG1y H 1 1.371 0.007 A 24 ILE HG2% H 1 0.491 0.007 A 24 ILE C C 13 174.934 0.164 A 24 ILE CA C 13 63.292 0.164 A 24 ILE CB C 13 34.738 0.164 A 24 ILE CD1 C 13 8.735 0.164 A 24 ILE CG1 C 13 27.460 0.164 A 24 ILE CG2 C 13 14.720 0.164 A 24 ILE N N 15 122.208 0.121 A 25 ASN H H 1 8.317 0.007 A 25 ASN HA H 1 4.227 0.007 A 25 ASN HBx H 1 2.652 0.007 A 25 ASN HBy H 1 2.892 0.007 A 25 ASN HD2x H 1 6.085 0.007 A 25 ASN HD2y H 1 7.695 0.007 A 25 ASN C C 13 173.530 0.164 A 25 ASN CA C 13 52.211 0.164 A 25 ASN CB C 13 38.104 0.164 A 25 ASN N N 15 118.640 0.121 A 25 ASN ND2 N 15 112.409 0.121 A 26 SER H H 1 7.369 0.007 A 26 SER HA H 1 4.153 0.007 A 26 SER HBy H 1 3.914 0.007 A 26 SER HBx H 1 3.864 0.007 A 26 SER C C 13 172.110 0.164 A 26 SER CA C 13 57.905 0.164 A 26 SER CB C 13 60.655 0.164 A 26 SER N N 15 111.990 0.121 A 27 GLU H H 1 7.451 0.007 A 27 GLU HA H 1 4.101 0.007 A 27 GLU HBy H 1 2.134 0.007 A 27 GLU HBx H 1 1.883 0.007 A 27 GLU HGy H 1 2.518 0.007 A 27 GLU HGx H 1 2.250 0.007 A 27 GLU C C 13 173.673 0.164 A 27 GLU CA C 13 54.235 0.164 A 27 GLU CB C 13 26.601 0.164 A 27 GLU CG C 13 30.229 0.164 A 27 GLU N N 15 120.201 0.121 A 28 ILE H H 1 7.255 0.007 A 28 ILE HA H 1 4.199 0.007 A 28 ILE HB H 1 1.558 0.007 A 28 ILE HD1% H 1 0.687 0.007 A 28 ILE HG12 H 1 1.567 0.007 A 28 ILE HG13 H 1 1.567 0.007 A 28 ILE HG2% H 1 0.890 0.007 A 28 ILE C C 13 172.487 0.164 A 28 ILE CA C 13 57.732 0.164 A 28 ILE CB C 13 35.738 0.164 A 28 ILE CD1 C 13 12.715 0.164 A 28 ILE CG1 C 13 23.215 0.164 A 28 ILE CG2 C 13 15.487 0.164 A 28 ILE N N 15 118.762 0.121 A 29 LYS H H 1 8.564 0.007 A 29 LYS HA H 1 4.002 0.007 A 29 LYS HBx H 1 1.665 0.007 A 29 LYS HBy H 1 1.735 0.007 A 29 LYS HD2 H 1 1.588 0.007 A 29 LYS HD3 H 1 1.588 0.007 A 29 LYS HE2 H 1 2.918 0.007 A 29 LYS HE3 H 1 2.918 0.007 A 29 LYS HGy H 1 1.390 0.007 A 29 LYS HGx H 1 1.361 0.007 A 29 LYS C C 13 174.386 0.164 A 29 LYS CA C 13 55.535 0.164 A 29 LYS CB C 13 29.586 0.164 A 29 LYS CD C 13 26.264 0.164 A 29 LYS CE C 13 39.489 0.164 A 29 LYS CG C 13 21.815 0.164 A 29 LYS N N 15 130.563 0.121 A 30 ASP H H 1 8.920 0.007 A 30 ASP HA H 1 4.402 0.007 A 30 ASP HB2 H 1 2.959 0.007 A 30 ASP HB3 H 1 2.959 0.007 A 30 ASP C C 13 172.570 0.164 A 30 ASP CA C 13 53.436 0.164 A 30 ASP CB C 13 36.744 0.164 A 30 ASP N N 15 119.357 0.121 A 31 SER H H 1 8.006 0.007 A 31 SER HA H 1 4.782 0.007 A 31 SER HBy H 1 3.778 0.007 A 31 SER HBx H 1 3.649 0.007 A 31 SER C C 13 171.150 0.164 A 31 SER CA C 13 55.551 0.164 A 31 SER CB C 13 62.259 0.164 A 31 SER N N 15 114.019 0.121 A 32 GLU H H 1 8.145 0.007 A 32 GLU HA H 1 4.740 0.007 A 32 GLU HBx H 1 1.918 0.007 A 32 GLU HBy H 1 1.961 0.007 A 32 GLU HGy H 1 2.343 0.007 A 32 GLU HGx H 1 2.209 0.007 A 32 GLU C C 13 171.185 0.164 A 32 GLU CA C 13 52.081 0.164 A 32 GLU CB C 13 30.827 0.164 A 32 GLU CG C 13 34.025 0.164 A 32 GLU N N 15 121.455 0.121 A 33 LEU H H 1 8.589 0.007 A 33 LEU HA H 1 5.306 0.007 A 33 LEU HBy H 1 1.759 0.007 A 33 LEU HBx H 1 0.976 0.007 A 33 LEU HDx% H 1 0.791 0.007 A 33 LEU HDy% H 1 0.844 0.007 A 33 LEU HG H 1 1.440 0.007 A 33 LEU C C 13 173.365 0.164 A 33 LEU CA C 13 51.440 0.164 A 33 LEU CB C 13 43.635 0.164 A 33 LEU CDy C 13 24.234 0.164 A 33 LEU CDx C 13 23.429 0.164 A 33 LEU CG C 13 24.805 0.164 A 33 LEU N N 15 126.176 0.121 A 34 LYS H H 1 9.380 0.007 A 34 LYS HA H 1 4.596 0.007 A 34 LYS HBy H 1 1.678 0.007 A 34 LYS HBx H 1 1.563 0.007 A 34 LYS HD2 H 1 1.479 0.007 A 34 LYS HD3 H 1 1.479 0.007 A 34 LYS HEy H 1 2.798 0.007 A 34 LYS HEx H 1 2.731 0.007 A 34 LYS HGy H 1 1.269 0.007 A 34 LYS HGx H 1 1.136 0.007 A 34 LYS C C 13 169.622 0.164 A 34 LYS CA C 13 52.329 0.164 A 34 LYS CB C 13 34.200 0.164 A 34 LYS CD C 13 26.587 0.164 A 34 LYS CE C 13 39.458 0.164 A 34 LYS CG C 13 22.839 0.164 A 34 LYS N N 15 127.200 0.121 A 35 GLU H H 1 8.094 0.007 A 35 GLU HA H 1 3.333 0.007 A 35 GLU HB2 H 1 1.656 0.007 A 35 GLU HB3 H 1 1.656 0.007 A 35 GLU HG2 H 1 1.675 0.007 A 35 GLU HG3 H 1 1.675 0.007 A 35 GLU C C 13 172.734 0.164 A 35 GLU CA C 13 52.612 0.164 A 35 GLU CB C 13 29.319 0.164 A 35 GLU CG C 13 33.933 0.164 A 35 GLU N N 15 122.324 0.121 A 36 VAL H H 1 8.660 0.007 A 36 VAL HA H 1 3.839 0.007 A 36 VAL HB H 1 1.961 0.007 A 36 VAL HGx% H 1 0.755 0.007 A 36 VAL HGy% H 1 0.778 0.007 A 36 VAL C C 13 171.482 0.164 A 36 VAL CA C 13 59.405 0.164 A 36 VAL CB C 13 29.348 0.164 A 36 VAL CGx C 13 19.706 0.164 A 36 VAL CGy C 13 23.667 0.164 A 36 VAL N N 15 126.781 0.121 A 37 LYS H H 1 7.809 0.007 A 37 LYS HA H 1 4.965 0.007 A 37 LYS HBx H 1 1.708 0.007 A 37 LYS HBy H 1 1.905 0.007 A 37 LYS HD2 H 1 1.603 0.007 A 37 LYS HD3 H 1 1.603 0.007 A 37 LYS HE2 H 1 2.917 0.007 A 37 LYS HE3 H 1 2.917 0.007 A 37 LYS HG2 H 1 1.314 0.007 A 37 LYS HG3 H 1 1.314 0.007 A 37 LYS C C 13 173.187 0.164 A 37 LYS CA C 13 52.280 0.164 A 37 LYS CB C 13 32.921 0.164 A 37 LYS CD C 13 26.413 0.164 A 37 LYS CE C 13 39.571 0.164 A 37 LYS CG C 13 22.968 0.164 A 37 LYS N N 15 126.065 0.121 A 38 VAL H H 1 8.305 0.007 A 38 VAL HA H 1 4.824 0.007 A 38 VAL HB H 1 2.377 0.007 A 38 VAL HGx% H 1 0.968 0.007 A 38 VAL HGy% H 1 1.105 0.007 A 38 VAL C C 13 173.604 0.164 A 38 VAL CA C 13 56.383 0.164 A 38 VAL CB C 13 32.376 0.164 A 38 VAL CGy C 13 19.919 0.164 A 38 VAL CGx C 13 17.116 0.164 A 38 VAL N N 15 111.020 0.121 A 39 SER H H 1 8.847 0.007 A 39 SER HA H 1 4.183 0.007 A 39 SER HBy H 1 3.748 0.007 A 39 SER HBx H 1 3.700 0.007 A 39 SER C C 13 173.538 0.164 A 39 SER CA C 13 56.279 0.164 A 39 SER CB C 13 60.537 0.164 A 39 SER N N 15 117.887 0.121 A 40 GLU H H 1 9.049 0.007 A 40 GLU HA H 1 4.154 0.007 A 40 GLU HB2 H 1 1.986 0.007 A 40 GLU HB3 H 1 1.986 0.007 A 40 GLU HG2 H 1 2.322 0.007 A 40 GLU HG3 H 1 2.322 0.007 A 40 GLU C C 13 174.586 0.164 A 40 GLU CA C 13 55.812 0.164 A 40 GLU CB C 13 26.720 0.164 A 40 GLU CG C 13 33.428 0.164 A 40 GLU N N 15 126.316 0.121 A 41 GLY H H 1 8.780 0.007 A 41 GLY HAy H 1 4.126 0.007 A 41 GLY HAx H 1 3.804 0.007 A 41 GLY C C 13 171.994 0.164 A 41 GLY CA C 13 42.462 0.164 A 41 GLY N N 15 112.494 0.121 A 42 THR H H 1 7.737 0.007 A 42 THR HA H 1 3.582 0.007 A 42 THR HB H 1 3.677 0.007 A 42 THR HG2% H 1 0.142 0.007 A 42 THR C C 13 171.225 0.164 A 42 THR CA C 13 64.104 0.164 A 42 THR CB C 13 65.914 0.164 A 42 THR CG2 C 13 17.565 0.164 A 42 THR N N 15 118.631 0.121 A 43 PHE H H 1 8.114 0.007 A 43 PHE HA H 1 5.020 0.007 A 43 PHE HBx H 1 3.078 0.007 A 43 PHE HBy H 1 3.805 0.007 A 43 PHE HD1 H 1 7.404 0.007 A 43 PHE HD2 H 1 7.404 0.007 A 43 PHE C C 13 170.141 0.164 A 43 PHE CA C 13 52.472 0.164 A 43 PHE CB C 13 37.385 0.164 A 43 PHE CDy C 13 128.193 0.164 A 43 PHE N N 15 116.279 0.121 A 44 ASP H H 1 7.774 0.007 A 44 ASP HA H 1 4.851 0.007 A 44 ASP HBx H 1 2.360 0.007 A 44 ASP HBy H 1 2.720 0.007 A 44 ASP CA C 13 50.212 0.164 A 44 ASP CB C 13 44.385 0.164 A 44 ASP N N 15 121.513 0.121 A 45 ALA H H 1 8.324 0.007 A 45 ALA HA H 1 4.211 0.007 A 45 ALA HB% H 1 1.373 0.007 A 45 ALA C C 13 175.139 0.164 A 45 ALA CA C 13 51.436 0.164 A 45 ALA CB C 13 16.232 0.164 A 45 ALA N N 15 125.663 0.121 A 46 ASP H H 1 9.618 0.007 A 46 ASP HA H 1 4.825 0.007 A 46 ASP HBx H 1 2.633 0.007 A 46 ASP HBy H 1 2.945 0.007 A 46 ASP C C 13 175.013 0.164 A 46 ASP CA C 13 51.161 0.164 A 46 ASP CB C 13 41.233 0.164 A 46 ASP N N 15 119.288 0.121 A 47 MET H H 1 9.178 0.007 A 47 MET HA H 1 3.456 0.007 A 47 MET HBx H 1 1.658 0.007 A 47 MET HBy H 1 1.736 0.007 A 47 MET HE% H 1 1.277 0.007 A 47 MET HGx H 1 1.368 0.007 A 47 MET HGy H 1 1.551 0.007 A 47 MET C C 13 173.605 0.164 A 47 MET CA C 13 56.699 0.164 A 47 MET CB C 13 29.930 0.164 A 47 MET CE C 13 13.715 0.164 A 47 MET CG C 13 27.627 0.164 A 47 MET N N 15 127.347 0.121 A 48 TYR H H 1 7.881 0.007 A 48 TYR HA H 1 3.872 0.007 A 48 TYR HBy H 1 3.033 0.007 A 48 TYR HBx H 1 2.977 0.007 A 48 TYR HD1 H 1 7.115 0.007 A 48 TYR HD2 H 1 7.115 0.007 A 48 TYR HE1 H 1 6.601 0.007 A 48 TYR HE2 H 1 6.601 0.007 A 48 TYR CA C 13 58.712 0.164 A 48 TYR CB C 13 33.638 0.164 A 48 TYR CDx C 13 128.173 0.164 A 48 TYR CEx C 13 113.481 0.164 A 48 TYR N N 15 121.040 0.121 A 49 LYS H H 1 8.365 0.007 A 49 LYS HA H 1 4.105 0.007 A 49 LYS HBx H 1 1.771 0.007 A 49 LYS HBy H 1 1.897 0.007 A 49 LYS HD2 H 1 1.680 0.007 A 49 LYS HD3 H 1 1.680 0.007 A 49 LYS HE2 H 1 2.927 0.007 A 49 LYS HE3 H 1 2.927 0.007 A 49 LYS HGx H 1 1.409 0.007 A 49 LYS HGy H 1 1.566 0.007 A 49 LYS CA C 13 56.385 0.164 A 49 LYS CB C 13 29.164 0.164 A 49 LYS CD C 13 29.167 0.164 A 49 LYS CE C 13 39.439 0.164 A 49 LYS CG C 13 22.961 0.164 A 49 LYS N N 15 121.754 0.121 A 50 THR H H 1 8.007 0.007 A 50 THR HA H 1 3.586 0.007 A 50 THR HB H 1 3.721 0.007 A 50 THR HG2% H 1 -0.240 0.007 A 50 THR CA C 13 65.634 0.164 A 50 THR CB C 13 65.904 0.164 A 50 THR CG2 C 13 18.511 0.164 A 50 THR N N 15 117.557 0.121 A 51 SER H H 1 7.606 0.007 A 51 SER HA H 1 3.974 0.007 A 51 SER HB2 H 1 3.649 0.007 A 51 SER HB3 H 1 3.649 0.007 A 51 SER CA C 13 59.042 0.164 A 51 SER CB C 13 59.835 0.164 A 51 SER N N 15 115.110 0.121 A 52 ASP H H 1 7.552 0.007 A 52 ASP HA H 1 4.308 0.007 A 52 ASP HBy H 1 2.730 0.007 A 52 ASP HBx H 1 2.651 0.007 A 52 ASP CA C 13 54.526 0.164 A 52 ASP CB C 13 37.688 0.164 A 52 ASP N N 15 119.713 0.121 A 53 ILE H H 1 7.815 0.007 A 53 ILE HA H 1 3.722 0.007 A 53 ILE HB H 1 1.991 0.007 A 53 ILE HD1% H 1 0.978 0.007 A 53 ILE HG1x H 1 0.978 0.007 A 53 ILE HG1y H 1 1.879 0.007 A 53 ILE HG2% H 1 0.999 0.007 A 53 ILE C C 13 175.325 0.164 A 53 ILE CA C 13 62.544 0.164 A 53 ILE CB C 13 36.699 0.164 A 53 ILE CD1 C 13 12.113 0.164 A 53 ILE CG1 C 13 26.891 0.164 A 53 ILE CG2 C 13 14.958 0.164 A 53 ILE N N 15 121.982 0.121 A 54 ALA H H 1 8.332 0.007 A 54 ALA HA H 1 4.317 0.007 A 54 ALA HB% H 1 1.539 0.007 A 54 ALA C C 13 177.475 0.164 A 54 ALA CA C 13 52.022 0.164 A 54 ALA CB C 13 15.984 0.164 A 54 ALA N N 15 121.552 0.121 A 55 LEU H H 1 8.195 0.007 A 55 LEU HA H 1 3.934 0.007 A 55 LEU HBy H 1 1.755 0.007 A 55 LEU HBx H 1 1.547 0.007 A 55 LEU HDx% H 1 0.875 0.007 A 55 LEU HDy% H 1 0.830 0.007 A 55 LEU HG H 1 1.665 0.007 A 55 LEU C C 13 176.532 0.164 A 55 LEU CA C 13 55.331 0.164 A 55 LEU CB C 13 38.428 0.164 A 55 LEU CDy C 13 21.753 0.164 A 55 LEU CDx C 13 20.924 0.164 A 55 LEU CG C 13 24.790 0.164 A 55 LEU N N 15 117.176 0.121 A 56 ASP H H 1 7.806 0.007 A 56 ASP HA H 1 4.467 0.007 A 56 ASP HBy H 1 2.942 0.007 A 56 ASP HBx H 1 2.238 0.007 A 56 ASP C C 13 176.585 0.164 A 56 ASP CA C 13 54.550 0.164 A 56 ASP CB C 13 38.305 0.164 A 56 ASP N N 15 120.056 0.121 A 57 GLN H H 1 7.661 0.007 A 57 GLN HA H 1 4.123 0.007 A 57 GLN HBx H 1 0.605 0.007 A 57 GLN HBy H 1 2.365 0.007 A 57 GLN HE21 H 1 6.905 0.007 A 57 GLN HE22 H 1 6.905 0.007 A 57 GLN HGx H 1 2.031 0.007 A 57 GLN HGy H 1 2.365 0.007 A 57 GLN C C 13 175.689 0.164 A 57 GLN CA C 13 54.405 0.164 A 57 GLN CB C 13 23.769 0.164 A 57 GLN CG C 13 30.186 0.164 A 57 GLN N N 15 120.020 0.121 A 57 GLN NE2 N 15 105.798 0.121 A 58 ILE H H 1 8.228 0.007 A 58 ILE HA H 1 3.576 0.007 A 58 ILE HB H 1 1.635 0.007 A 58 ILE HD1% H 1 0.209 0.007 A 58 ILE HG1y H 1 1.657 0.007 A 58 ILE HG1x H 1 0.891 0.007 A 58 ILE HG2% H 1 0.571 0.007 A 58 ILE C C 13 176.237 0.164 A 58 ILE CA C 13 62.506 0.164 A 58 ILE CB C 13 36.029 0.164 A 58 ILE CD1 C 13 10.241 0.164 A 58 ILE CG1 C 13 28.582 0.164 A 58 ILE CG2 C 13 14.455 0.164 A 58 ILE N N 15 120.644 0.121 A 59 GLN H H 1 8.331 0.007 A 59 GLN HA H 1 4.142 0.007 A 59 GLN HBx H 1 1.990 0.007 A 59 GLN HBy H 1 2.135 0.007 A 59 GLN HE2x H 1 6.790 0.007 A 59 GLN HE2y H 1 7.092 0.007 A 59 GLN HGy H 1 2.514 0.007 A 59 GLN HGx H 1 2.355 0.007 A 59 GLN C C 13 173.781 0.164 A 59 GLN CA C 13 53.982 0.164 A 59 GLN CB C 13 26.611 0.164 A 59 GLN CG C 13 32.108 0.164 A 59 GLN N N 15 115.498 0.121 A 59 GLN NE2 N 15 110.419 0.121 A 60 GLY H H 1 7.611 0.007 A 60 GLY HA2 H 1 4.058 0.007 A 60 GLY HA3 H 1 4.058 0.007 A 60 GLY C C 13 172.068 0.164 A 60 GLY CA C 13 42.873 0.164 A 60 GLY N N 15 106.623 0.121 A 61 ASN H H 1 8.151 0.007 A 61 ASN HA H 1 4.544 0.007 A 61 ASN HBx H 1 2.451 0.007 A 61 ASN HBy H 1 2.751 0.007 A 61 ASN HD2x H 1 6.888 0.007 A 61 ASN HD2y H 1 7.761 0.007 A 61 ASN C C 13 171.946 0.164 A 61 ASN CA C 13 51.569 0.164 A 61 ASN CB C 13 36.360 0.164 A 61 ASN N N 15 117.691 0.121 A 61 ASN ND2 N 15 113.894 0.121 A 62 LYS H H 1 7.242 0.007 A 62 LYS HA H 1 4.328 0.007 A 62 LYS HBx H 1 1.123 0.007 A 62 LYS HBy H 1 1.714 0.007 A 62 LYS HD2 H 1 1.714 0.007 A 62 LYS HD3 H 1 1.714 0.007 A 62 LYS HE2 H 1 2.860 0.007 A 62 LYS HE3 H 1 2.860 0.007 A 62 LYS HGx H 1 1.251 0.007 A 62 LYS HGy H 1 1.303 0.007 A 62 LYS C C 13 171.773 0.164 A 62 LYS CA C 13 51.296 0.164 A 62 LYS CB C 13 34.683 0.164 A 62 LYS CD C 13 29.513 0.164 A 62 LYS CE C 13 39.387 0.164 A 62 LYS CG C 13 22.909 0.164 A 62 LYS N N 15 118.289 0.121 A 63 ASP H H 1 8.230 0.007 A 63 ASP HA H 1 4.416 0.007 A 63 ASP HBy H 1 2.695 0.007 A 63 ASP HBx H 1 2.302 0.007 A 63 ASP C C 13 174.476 0.164 A 63 ASP CA C 13 51.461 0.164 A 63 ASP CB C 13 38.515 0.164 A 63 ASP N N 15 119.888 0.121 A 64 PHE H H 1 8.428 0.007 A 64 PHE HA H 1 3.816 0.007 A 64 PHE HBx H 1 2.605 0.007 A 64 PHE HBy H 1 2.663 0.007 A 64 PHE HD1 H 1 7.158 0.007 A 64 PHE HD2 H 1 7.158 0.007 A 64 PHE HE1 H 1 6.918 0.007 A 64 PHE HE2 H 1 6.918 0.007 A 64 PHE CA C 13 56.250 0.164 A 64 PHE CB C 13 35.034 0.164 A 64 PHE CDy C 13 126.669 0.164 A 64 PHE CEy C 13 126.814 0.164 A 64 PHE N N 15 119.789 0.121 A 65 PRO HA H 1 4.313 0.007 A 65 PRO HBy H 1 1.885 0.007 A 65 PRO HBx H 1 1.707 0.007 A 65 PRO HDx H 1 3.382 0.007 A 65 PRO HDy H 1 3.502 0.007 A 65 PRO HG2 H 1 1.742 0.007 A 65 PRO HG3 H 1 1.742 0.007 A 65 PRO C C 13 173.975 0.164 A 65 PRO CA C 13 60.056 0.164 A 65 PRO CB C 13 29.520 0.164 A 65 PRO CD C 13 46.789 0.164 A 65 PRO CG C 13 25.291 0.164 A 66 GLU H H 1 8.225 0.007 A 66 GLU HA H 1 4.233 0.007 A 66 GLU HBy H 1 1.921 0.007 A 66 GLU HBx H 1 1.777 0.007 A 66 GLU HGx H 1 2.166 0.007 A 66 GLU HGy H 1 2.309 0.007 A 66 GLU C C 13 173.978 0.164 A 66 GLU CA C 13 53.531 0.164 A 66 GLU CB C 13 27.700 0.164 A 66 GLU CG C 13 33.942 0.164 A 66 GLU N N 15 121.326 0.121 A 67 ILE H H 1 8.366 0.007 A 67 ILE HA H 1 5.169 0.007 A 67 ILE HB H 1 1.704 0.007 A 67 ILE HD1% H 1 0.576 0.007 A 67 ILE HG2% H 1 0.652 0.007 A 67 ILE C C 13 172.791 0.164 A 67 ILE CA C 13 56.275 0.164 A 67 ILE CB C 13 39.016 0.164 A 67 ILE CD1 C 13 11.226 0.164 A 67 ILE CG2 C 13 14.709 0.164 A 67 ILE N N 15 113.897 0.121 A 68 GLN H H 1 8.763 0.007 A 68 GLN HA H 1 4.519 0.007 A 68 GLN HBx H 1 1.722 0.007 A 68 GLN HBy H 1 1.811 0.007 A 68 GLN HE2y H 1 7.193 0.007 A 68 GLN HE2x H 1 6.559 0.007 A 68 GLN HGy H 1 2.118 0.007 A 68 GLN HGx H 1 2.088 0.007 A 68 GLN C C 13 171.562 0.164 A 68 GLN CA C 13 52.313 0.164 A 68 GLN CB C 13 26.785 0.164 A 68 GLN CG C 13 30.720 0.164 A 68 GLN N N 15 121.654 0.121 A 68 GLN NE2 N 15 110.230 0.121 A 69 LEU H H 1 7.996 0.007 A 69 LEU HA H 1 4.519 0.007 A 69 LEU HBx H 1 1.383 0.007 A 69 LEU HBy H 1 1.647 0.007 A 69 LEU HDx% H 1 0.779 0.007 A 69 LEU HDy% H 1 0.777 0.007 A 69 LEU HG H 1 1.707 0.007 A 69 LEU C C 13 172.567 0.164 A 69 LEU CA C 13 51.797 0.164 A 69 LEU CB C 13 42.742 0.164 A 69 LEU CDy C 13 24.019 0.164 A 69 LEU CDx C 13 22.794 0.164 A 69 LEU CG C 13 25.772 0.164 A 69 LEU N N 15 125.289 0.121 A 70 ASP H H 1 8.278 0.007 A 70 ASP HA H 1 4.406 0.007 A 70 ASP HBx H 1 2.262 0.007 A 70 ASP HBy H 1 2.599 0.007 A 70 ASP C C 13 171.978 0.164 A 70 ASP CA C 13 51.682 0.164 A 70 ASP CB C 13 38.729 0.164 A 70 ASP N N 15 123.170 0.121 A 71 ASN H H 1 8.372 0.007 A 71 ASN HA H 1 4.327 0.007 A 71 ASN HBx H 1 2.606 0.007 A 71 ASN HBy H 1 2.662 0.007 A 71 ASN HD2y H 1 7.507 0.007 A 71 ASN HD2x H 1 6.787 0.007 A 71 ASN C C 13 171.825 0.164 A 71 ASN CA C 13 51.657 0.164 A 71 ASN CB C 13 35.230 0.164 A 71 ASN N N 15 117.524 0.121 A 71 ASN ND2 N 15 112.814 0.121 A 72 ILE H H 1 7.653 0.007 A 72 ILE HA H 1 3.929 0.007 A 72 ILE HB H 1 1.036 0.007 A 72 ILE HD1% H 1 0.633 0.007 A 72 ILE HG1x H 1 0.707 0.007 A 72 ILE HG1y H 1 1.189 0.007 A 72 ILE HG2% H 1 0.304 0.007 A 72 ILE C C 13 171.607 0.164 A 72 ILE CA C 13 57.289 0.164 A 72 ILE CB C 13 38.760 0.164 A 72 ILE CD1 C 13 11.880 0.164 A 72 ILE CG1 C 13 24.388 0.164 A 72 ILE CG2 C 13 15.297 0.164 A 72 ILE N N 15 124.515 0.121 A 73 ASP H H 1 8.382 0.007 A 73 ASP HA H 1 4.628 0.007 A 73 ASP HBx H 1 2.347 0.007 A 73 ASP HBy H 1 2.804 0.007 A 73 ASP C C 13 173.980 0.164 A 73 ASP CA C 13 49.214 0.164 A 73 ASP CB C 13 36.902 0.164 A 73 ASP N N 15 125.182 0.121 A 74 TYR H H 1 7.348 0.007 A 74 TYR HA H 1 3.865 0.007 A 74 TYR HBy H 1 2.836 0.007 A 74 TYR HBx H 1 2.654 0.007 A 74 TYR HD1 H 1 6.846 0.007 A 74 TYR HD2 H 1 6.846 0.007 A 74 TYR HE1 H 1 6.492 0.007 A 74 TYR HE2 H 1 6.492 0.007 A 74 TYR C C 13 173.582 0.164 A 74 TYR CA C 13 59.486 0.164 A 74 TYR CB C 13 34.808 0.164 A 74 TYR CDy C 13 127.210 0.164 A 74 TYR CEy C 13 114.142 0.164 A 74 TYR N N 15 123.092 0.121 A 75 ASN H H 1 8.040 0.007 A 75 ASN HA H 1 4.925 0.007 A 75 ASN HBx H 1 2.852 0.007 A 75 ASN HBy H 1 2.953 0.007 A 75 ASN HD2y H 1 8.016 0.007 A 75 ASN HD2x H 1 7.154 0.007 A 75 ASN C C 13 172.570 0.164 A 75 ASN CA C 13 52.618 0.164 A 75 ASN CB C 13 35.534 0.164 A 75 ASN N N 15 109.447 0.121 A 75 ASN ND2 N 15 115.384 0.121 A 76 ASN H H 1 7.750 0.007 A 76 ASN HA H 1 4.454 0.007 A 76 ASN HBx H 1 2.265 0.007 A 76 ASN HBy H 1 2.388 0.007 A 76 ASN HD2y H 1 7.078 0.007 A 76 ASN HD2x H 1 6.848 0.007 A 76 ASN C C 13 171.155 0.164 A 76 ASN CA C 13 50.934 0.164 A 76 ASN CB C 13 35.658 0.164 A 76 ASN N N 15 117.411 0.121 A 76 ASN ND2 N 15 111.718 0.121 A 77 TYR H H 1 7.789 0.007 A 77 TYR HA H 1 4.354 0.007 A 77 TYR HBy H 1 3.142 0.007 A 77 TYR HBx H 1 2.743 0.007 A 77 TYR HD1 H 1 6.889 0.007 A 77 TYR HD2 H 1 6.889 0.007 A 77 TYR HE1 H 1 6.716 0.007 A 77 TYR HE2 H 1 6.716 0.007 A 77 TYR C C 13 172.224 0.164 A 77 TYR CA C 13 55.240 0.164 A 77 TYR CB C 13 37.113 0.164 A 77 TYR CDy C 13 129.408 0.164 A 77 TYR CEy C 13 113.714 0.164 A 77 TYR N N 15 116.878 0.121 A 78 ASP H H 1 9.036 0.007 A 78 ASP HA H 1 4.797 0.007 A 78 ASP HBy H 1 2.869 0.007 A 78 ASP HBx H 1 2.444 0.007 A 78 ASP C C 13 172.623 0.164 A 78 ASP CA C 13 53.190 0.164 A 78 ASP CB C 13 41.035 0.164 A 78 ASP N N 15 121.352 0.121 A 79 LEU H H 1 7.877 0.007 A 79 LEU HA H 1 5.108 0.007 A 79 LEU HBy H 1 1.809 0.007 A 79 LEU HBx H 1 1.203 0.007 A 79 LEU HDx% H 1 0.645 0.007 A 79 LEU HDy% H 1 0.777 0.007 A 79 LEU HG H 1 1.150 0.007 A 79 LEU C C 13 170.730 0.164 A 79 LEU CA C 13 51.257 0.164 A 79 LEU CB C 13 42.284 0.164 A 79 LEU CDx C 13 20.487 0.164 A 79 LEU CDy C 13 23.126 0.164 A 79 LEU CG C 13 25.371 0.164 A 79 LEU N N 15 123.073 0.121 A 80 ILE H H 1 8.704 0.007 A 80 ILE HA H 1 5.069 0.007 A 80 ILE HB H 1 1.325 0.007 A 80 ILE HD1% H 1 0.078 0.007 A 80 ILE HG12 H 1 1.718 0.007 A 80 ILE HG13 H 1 1.718 0.007 A 80 ILE HG2% H 1 0.544 0.007 A 80 ILE C C 13 171.584 0.164 A 80 ILE CA C 13 57.415 0.164 A 80 ILE CB C 13 37.998 0.164 A 80 ILE CD1 C 13 10.883 0.164 A 80 ILE CG1 C 13 24.977 0.164 A 80 ILE CG2 C 13 14.276 0.164 A 80 ILE N N 15 126.348 0.121 A 81 LEU H H 1 9.202 0.007 A 81 LEU HA H 1 5.123 0.007 A 81 LEU HBy H 1 1.907 0.007 A 81 LEU HBx H 1 1.451 0.007 A 81 LEU HD1% H 1 0.802 0.007 A 81 LEU HD2% H 1 0.802 0.007 A 81 LEU HG H 1 1.578 0.007 A 81 LEU C C 13 172.779 0.164 A 81 LEU CA C 13 49.509 0.164 A 81 LEU CB C 13 41.715 0.164 A 81 LEU CDx C 13 23.166 0.164 A 81 LEU CDy C 13 23.166 0.164 A 81 LEU CG C 13 25.535 0.164 A 81 LEU N N 15 126.303 0.121 A 82 ILE H H 1 8.846 0.007 A 82 ILE HA H 1 4.847 0.007 A 82 ILE HB H 1 1.522 0.007 A 82 ILE HD1% H 1 0.742 0.007 A 82 ILE HG1y H 1 1.538 0.007 A 82 ILE HG1x H 1 0.849 0.007 A 82 ILE HG2% H 1 0.740 0.007 A 82 ILE C C 13 172.796 0.164 A 82 ILE CA C 13 56.881 0.164 A 82 ILE CB C 13 37.797 0.164 A 82 ILE CD1 C 13 12.166 0.164 A 82 ILE CG1 C 13 25.307 0.164 A 82 ILE CG2 C 13 15.873 0.164 A 82 ILE N N 15 120.931 0.121 A 83 GLY H H 1 9.558 0.007 A 83 GLY HAy H 1 4.275 0.007 A 83 GLY HAx H 1 1.829 0.007 A 83 GLY CA C 13 40.557 0.164 A 83 GLY N N 15 120.905 0.121 A 84 SER H H 1 7.533 0.007 A 84 SER HA H 1 5.476 0.007 A 84 SER HBx H 1 3.705 0.007 A 84 SER HBy H 1 4.066 0.007 A 84 SER CA C 13 51.324 0.164 A 84 SER CB C 13 64.271 0.164 A 84 SER N N 15 116.601 0.121 A 85 PRO HA H 1 5.163 0.007 A 85 PRO HBx H 1 1.369 0.007 A 85 PRO HBy H 1 2.915 0.007 A 85 PRO HDx H 1 3.809 0.007 A 85 PRO HDy H 1 3.896 0.007 A 85 PRO HG2 H 1 1.921 0.007 A 85 PRO HG3 H 1 1.921 0.007 A 85 PRO C C 13 175.590 0.164 A 85 PRO CA C 13 58.883 0.164 A 85 PRO CB C 13 30.474 0.164 A 85 PRO CD C 13 48.186 0.164 A 85 PRO CG C 13 23.657 0.164 A 86 VAL H H 1 7.246 0.007 A 86 VAL HA H 1 3.821 0.007 A 86 VAL HB H 1 1.462 0.007 A 86 VAL HGx% H 1 0.773 0.007 A 86 VAL HGy% H 1 0.350 0.007 A 86 VAL C C 13 172.692 0.164 A 86 VAL CA C 13 59.812 0.164 A 86 VAL CB C 13 30.083 0.164 A 86 VAL CGx C 13 18.657 0.164 A 86 VAL CGy C 13 19.755 0.164 A 86 VAL N N 15 116.295 0.121 A 87 TRP H H 1 9.555 0.007 A 87 TRP HA H 1 4.311 0.007 A 87 TRP HBy H 1 2.954 0.007 A 87 TRP HBx H 1 2.725 0.007 A 87 TRP HD1 H 1 7.524 0.007 A 87 TRP HE1 H 1 9.232 0.007 A 87 TRP HE3 H 1 7.555 0.007 A 87 TRP HZ2 H 1 7.457 0.007 A 87 TRP HZ3 H 1 6.489 0.007 A 87 TRP C C 13 173.323 0.164 A 87 TRP CA C 13 50.887 0.164 A 87 TRP CB C 13 27.310 0.164 A 87 TRP CD1 C 13 122.185 0.164 A 87 TRP CE3 C 13 115.424 0.164 A 87 TRP CZ2 C 13 109.852 0.164 A 87 TRP CZ3 C 13 115.507 0.164 A 87 TRP N N 15 131.042 0.121 A 87 TRP NE1 N 15 128.150 0.121 A 88 SER H H 1 10.257 0.007 A 88 SER HA H 1 4.582 0.007 A 88 SER HBy H 1 4.239 0.007 A 88 SER HBx H 1 4.155 0.007 A 88 SER C C 13 172.096 0.164 A 88 SER CA C 13 55.391 0.164 A 88 SER CB C 13 57.813 0.164 A 88 SER N N 15 122.660 0.121 A 89 GLY H H 1 6.372 0.007 A 89 GLY HAy H 1 4.330 0.007 A 89 GLY HAx H 1 3.609 0.007 A 89 GLY CA C 13 42.629 0.164 A 89 GLY N N 15 128.381 0.121 A 90 TYR H H 1 8.113 0.007 A 90 TYR HA H 1 4.189 0.007 A 90 TYR HBy H 1 2.856 0.007 A 90 TYR HBx H 1 2.728 0.007 A 90 TYR HD1 H 1 6.502 0.007 A 90 TYR HD2 H 1 6.502 0.007 A 90 TYR CA C 13 53.549 0.164 A 90 TYR CB C 13 37.195 0.164 A 90 TYR CDx C 13 127.967 0.164 A 90 TYR N N 15 120.345 0.121 A 91 PRO HA H 1 4.834 0.007 A 91 PRO HBy H 1 2.276 0.007 A 91 PRO HBx H 1 1.805 0.007 A 91 PRO HDy H 1 2.479 0.007 A 91 PRO HDx H 1 1.980 0.007 A 91 PRO HGy H 1 1.189 0.007 A 91 PRO HGx H 1 0.855 0.007 A 91 PRO C C 13 170.911 0.164 A 91 PRO CA C 13 58.835 0.164 A 91 PRO CB C 13 26.070 0.164 A 91 PRO CD C 13 45.776 0.164 A 91 PRO CG C 13 25.351 0.164 A 92 ALA H H 1 7.554 0.007 A 92 ALA HA H 1 3.619 0.007 A 92 ALA HB% H 1 -0.117 0.007 A 92 ALA C C 13 176.782 0.164 A 92 ALA CA C 13 49.417 0.164 A 92 ALA CB C 13 15.516 0.164 A 92 ALA N N 15 120.629 0.121 A 93 THR H H 1 6.730 0.007 A 93 THR HB H 1 4.188 0.007 A 93 THR HG2% H 1 1.817 0.007 A 93 THR CB C 13 64.173 0.164 A 93 THR CG2 C 13 22.148 0.164 A 93 THR N N 15 112.558 0.121 A 94 PRO HA H 1 3.859 0.007 A 94 PRO HB2 H 1 0.760 0.007 A 94 PRO HB3 H 1 0.760 0.007 A 94 PRO HDy H 1 4.022 0.007 A 94 PRO HDx H 1 2.428 0.007 A 94 PRO HGx H 1 0.535 0.007 A 94 PRO HGy H 1 1.222 0.007 A 94 PRO C C 13 173.309 0.164 A 94 PRO CA C 13 63.063 0.164 A 94 PRO CB C 13 29.279 0.164 A 94 PRO CD C 13 47.515 0.164 A 94 PRO CG C 13 26.224 0.164 A 95 ILE H H 1 7.995 0.007 A 95 ILE HA H 1 3.605 0.007 A 95 ILE HB H 1 2.666 0.007 A 95 ILE HD1% H 1 0.634 0.007 A 95 ILE HG1y H 1 1.700 0.007 A 95 ILE HG1x H 1 1.365 0.007 A 95 ILE HG2% H 1 1.004 0.007 A 95 ILE C C 13 174.302 0.164 A 95 ILE CA C 13 57.181 0.164 A 95 ILE CB C 13 31.783 0.164 A 95 ILE CD1 C 13 5.490 0.164 A 95 ILE CG1 C 13 25.752 0.164 A 95 ILE CG2 C 13 16.262 0.164 A 95 ILE N N 15 111.014 0.121 A 96 LYS H H 1 6.928 0.007 A 96 LYS HA H 1 3.092 0.007 A 96 LYS HBy H 1 0.778 0.007 A 96 LYS HBx H 1 -0.720 0.007 A 96 LYS HDy H 1 -0.050 0.007 A 96 LYS HDx H 1 -0.361 0.007 A 96 LYS HEy H 1 2.005 0.007 A 96 LYS HEx H 1 1.870 0.007 A 96 LYS HGx H 1 -0.713 0.007 A 96 LYS HGy H 1 -0.443 0.007 A 96 LYS C C 13 174.451 0.164 A 96 LYS CA C 13 57.041 0.164 A 96 LYS CB C 13 28.747 0.164 A 96 LYS CD C 13 24.274 0.164 A 96 LYS CE C 13 39.392 0.164 A 96 LYS CG C 13 20.659 0.164 A 96 LYS N N 15 123.208 0.121 A 97 THR H H 1 6.325 0.007 A 97 THR HA H 1 3.436 0.007 A 97 THR HB H 1 3.992 0.007 A 97 THR HG2% H 1 1.198 0.007 A 97 THR C C 13 173.221 0.164 A 97 THR CA C 13 62.710 0.164 A 97 THR CB C 13 65.562 0.164 A 97 THR CG2 C 13 20.606 0.164 A 97 THR N N 15 113.320 0.121 A 98 LEU H H 1 7.536 0.007 A 98 LEU HA H 1 3.625 0.007 A 98 LEU HBx H 1 1.079 0.007 A 98 LEU HBy H 1 1.889 0.007 A 98 LEU HD1% H 1 0.696 0.007 A 98 LEU HD2% H 1 0.696 0.007 A 98 LEU HG H 1 1.276 0.007 A 98 LEU C C 13 174.713 0.164 A 98 LEU CA C 13 55.514 0.164 A 98 LEU CB C 13 39.728 0.164 A 98 LEU CDy C 13 20.573 0.164 A 98 LEU CG C 13 24.400 0.164 A 98 LEU N N 15 120.963 0.121 A 99 LEU H H 1 8.179 0.007 A 99 LEU HA H 1 3.672 0.007 A 99 LEU HBx H 1 0.937 0.007 A 99 LEU HBy H 1 1.646 0.007 A 99 LEU HDx% H 1 0.339 0.007 A 99 LEU HDy% H 1 0.545 0.007 A 99 LEU HG H 1 1.588 0.007 A 99 LEU C C 13 177.458 0.164 A 99 LEU CA C 13 55.145 0.164 A 99 LEU CB C 13 38.857 0.164 A 99 LEU CDy C 13 24.797 0.164 A 99 LEU CDx C 13 20.384 0.164 A 99 LEU CG C 13 24.748 0.164 A 99 LEU N N 15 118.859 0.121 A 100 ASP H H 1 7.867 0.007 A 100 ASP HA H 1 4.221 0.007 A 100 ASP HBy H 1 2.694 0.007 A 100 ASP HBx H 1 2.461 0.007 A 100 ASP C C 13 176.472 0.164 A 100 ASP CA C 13 54.307 0.164 A 100 ASP CB C 13 37.358 0.164 A 100 ASP N N 15 118.703 0.121 A 101 GLN H H 1 7.597 0.007 A 101 GLN HA H 1 4.200 0.007 A 101 GLN HBy H 1 2.304 0.007 A 101 GLN HBx H 1 2.211 0.007 A 101 GLN HE2x H 1 6.668 0.007 A 101 GLN HE2y H 1 7.315 0.007 A 101 GLN HGx H 1 2.466 0.007 A 101 GLN HGy H 1 2.625 0.007 A 101 GLN C C 13 174.508 0.164 A 101 GLN CA C 13 54.688 0.164 A 101 GLN CB C 13 25.597 0.164 A 101 GLN CG C 13 31.544 0.164 A 101 GLN N N 15 117.829 0.121 A 101 GLN NE2 N 15 110.030 0.121 A 102 MET H H 1 7.434 0.007 A 102 MET HA H 1 3.864 0.007 A 102 MET HBx H 1 1.597 0.007 A 102 MET HBy H 1 1.937 0.007 A 102 MET HE% H 1 1.327 0.007 A 102 MET HGy H 1 1.867 0.007 A 102 MET HGx H 1 1.101 0.007 A 102 MET C C 13 172.820 0.164 A 102 MET CA C 13 53.298 0.164 A 102 MET CB C 13 31.207 0.164 A 102 MET CE C 13 13.650 0.164 A 102 MET CG C 13 28.251 0.164 A 102 MET N N 15 118.406 0.121 A 103 LYS H H 1 6.881 0.007 A 103 LYS HA H 1 3.919 0.007 A 103 LYS HBy H 1 1.825 0.007 A 103 LYS HBx H 1 1.780 0.007 A 103 LYS HD2 H 1 1.582 0.007 A 103 LYS HD3 H 1 1.582 0.007 A 103 LYS HEy H 1 2.922 0.007 A 103 LYS HEx H 1 2.888 0.007 A 103 LYS HGy H 1 1.575 0.007 A 103 LYS HGx H 1 1.467 0.007 A 103 LYS C C 13 173.938 0.164 A 103 LYS CA C 13 56.437 0.164 A 103 LYS CB C 13 29.263 0.164 A 103 LYS CD C 13 25.640 0.164 A 103 LYS CE C 13 39.421 0.164 A 103 LYS CG C 13 22.183 0.164 A 103 LYS N N 15 115.889 0.121 A 104 ASN H H 1 8.493 0.007 A 104 ASN HA H 1 4.731 0.007 A 104 ASN HBy H 1 2.890 0.007 A 104 ASN HBx H 1 2.749 0.007 A 104 ASN HD2x H 1 6.889 0.007 A 104 ASN HD2y H 1 7.528 0.007 A 104 ASN C C 13 172.617 0.164 A 104 ASN CA C 13 50.266 0.164 A 104 ASN CB C 13 35.783 0.164 A 104 ASN N N 15 114.951 0.121 A 104 ASN ND2 N 15 113.151 0.121 A 105 TYR H H 1 8.217 0.007 A 105 TYR HA H 1 4.562 0.007 A 105 TYR HBy H 1 3.001 0.007 A 105 TYR HBx H 1 2.736 0.007 A 105 TYR HD1 H 1 6.444 0.007 A 105 TYR HD2 H 1 6.444 0.007 A 105 TYR CA C 13 55.433 0.164 A 105 TYR CB C 13 35.832 0.164 A 105 TYR CDy C 13 128.011 0.164 A 105 TYR N N 15 122.680 0.121 A 106 ARG H H 1 8.801 0.007 A 106 ARG HA H 1 4.265 0.007 A 106 ARG HBx H 1 1.532 0.007 A 106 ARG HBy H 1 1.914 0.007 A 106 ARG HDy H 1 3.125 0.007 A 106 ARG HDx H 1 3.058 0.007 A 106 ARG HGx H 1 1.497 0.007 A 106 ARG HGy H 1 1.612 0.007 A 106 ARG CA C 13 52.982 0.164 A 106 ARG CB C 13 28.130 0.164 A 106 ARG CD C 13 40.428 0.164 A 106 ARG CG C 13 24.349 0.164 A 106 ARG N N 15 128.872 0.121 A 107 GLY HAy H 1 4.262 0.007 A 107 GLY HAx H 1 3.460 0.007 A 107 GLY CA C 13 42.401 0.164 A 108 GLU H H 1 7.514 0.007 A 108 GLU HA H 1 4.626 0.007 A 108 GLU HBy H 1 2.334 0.007 A 108 GLU HBx H 1 1.673 0.007 A 108 GLU HGy H 1 2.457 0.007 A 108 GLU HGx H 1 2.078 0.007 A 108 GLU C C 13 174.125 0.164 A 108 GLU CA C 13 53.788 0.164 A 108 GLU CB C 13 30.440 0.164 A 108 GLU CG C 13 34.366 0.164 A 108 GLU N N 15 117.000 0.121 A 109 VAL H H 1 8.942 0.007 A 109 VAL HA H 1 5.337 0.007 A 109 VAL HB H 1 1.714 0.007 A 109 VAL HGx% H 1 0.846 0.007 A 109 VAL HGy% H 1 1.017 0.007 A 109 VAL C C 13 170.606 0.164 A 109 VAL CA C 13 57.280 0.164 A 109 VAL CB C 13 32.657 0.164 A 109 VAL CGx C 13 19.148 0.164 A 109 VAL CGy C 13 20.922 0.164 A 109 VAL N N 15 123.398 0.121 A 110 ALA H H 1 8.776 0.007 A 110 ALA HA H 1 4.627 0.007 A 110 ALA HB% H 1 -0.439 0.007 A 110 ALA C C 13 173.195 0.164 A 110 ALA CA C 13 47.346 0.164 A 110 ALA CB C 13 18.325 0.164 A 110 ALA N N 15 127.905 0.121 A 111 SER H H 1 7.480 0.007 A 111 SER HA H 1 5.562 0.007 A 111 SER HBy H 1 2.578 0.007 A 111 SER HBx H 1 2.292 0.007 A 111 SER C C 13 170.719 0.164 A 111 SER CA C 13 51.314 0.164 A 111 SER CB C 13 61.907 0.164 A 111 SER N N 15 110.523 0.121 A 112 PHE H H 1 7.848 0.007 A 112 PHE HA H 1 6.356 0.007 A 112 PHE HBy H 1 3.602 0.007 A 112 PHE HBx H 1 2.671 0.007 A 112 PHE HE1 H 1 7.608 0.007 A 112 PHE HE2 H 1 7.608 0.007 A 112 PHE C C 13 169.536 0.164 A 112 PHE CA C 13 50.371 0.164 A 112 PHE CB C 13 39.788 0.164 A 112 PHE CEx C 13 133.006 0.164 A 112 PHE N N 15 125.567 0.121 A 113 PHE H H 1 7.361 0.007 A 113 PHE HA H 1 6.104 0.007 A 113 PHE HBy H 1 2.242 0.007 A 113 PHE HBx H 1 1.712 0.007 A 113 PHE HD1 H 1 5.990 0.007 A 113 PHE HD2 H 1 5.990 0.007 A 113 PHE C C 13 173.006 0.164 A 113 PHE CA C 13 50.262 0.164 A 113 PHE CB C 13 38.749 0.164 A 113 PHE CDy C 13 127.921 0.164 A 113 PHE N N 15 115.065 0.121 A 114 THR H H 1 7.867 0.007 A 114 THR HA H 1 4.999 0.007 A 114 THR HB H 1 4.322 0.007 A 114 THR HG2% H 1 1.206 0.007 A 114 THR C C 13 169.874 0.164 A 114 THR CA C 13 56.500 0.164 A 114 THR CB C 13 68.809 0.164 A 114 THR CG2 C 13 18.450 0.164 A 114 THR N N 15 108.014 0.121 A 115 SER H H 1 8.970 0.007 A 115 SER HA H 1 5.613 0.007 A 115 SER HBx H 1 3.830 0.007 A 115 SER HBy H 1 4.274 0.007 A 115 SER C C 13 171.247 0.164 A 115 SER CA C 13 54.830 0.164 A 115 SER CB C 13 63.992 0.164 A 115 SER N N 15 115.049 0.121 A 116 ALA H H 1 8.963 0.007 A 116 ALA HA H 1 4.985 0.007 A 116 ALA HB% H 1 1.767 0.007 A 116 ALA C C 13 176.180 0.164 A 116 ALA CA C 13 49.200 0.164 A 116 ALA CB C 13 15.995 0.164 A 116 ALA N N 15 122.671 0.121 A 117 GLY H H 1 9.340 0.007 A 117 GLY HAx H 1 3.646 0.007 A 117 GLY HAy H 1 4.431 0.007 A 117 GLY C C 13 172.528 0.164 A 117 GLY CA C 13 43.732 0.164 A 117 GLY N N 15 107.387 0.121 A 118 THR H H 1 9.373 0.007 A 118 THR HA H 1 4.651 0.007 A 118 THR HB H 1 4.137 0.007 A 118 THR HG2% H 1 1.026 0.007 A 118 THR C C 13 172.067 0.164 A 118 THR CA C 13 57.357 0.164 A 118 THR CB C 13 69.475 0.164 A 118 THR CG2 C 13 19.080 0.164 A 118 THR N N 15 113.481 0.121 A 119 ASN H H 1 8.908 0.007 A 119 ASN HA H 1 4.618 0.007 A 119 ASN HBx H 1 2.861 0.007 A 119 ASN HBy H 1 3.191 0.007 A 119 ASN HD2y H 1 7.663 0.007 A 119 ASN HD2x H 1 7.023 0.007 A 119 ASN C C 13 173.114 0.164 A 119 ASN CA C 13 51.684 0.164 A 119 ASN CB C 13 33.730 0.164 A 119 ASN N N 15 113.202 0.121 A 119 ASN ND2 N 15 114.882 0.121 A 120 HIS H H 1 8.074 0.007 A 120 HIS HA H 1 3.786 0.007 A 120 HIS HBx H 1 2.975 0.007 A 120 HIS HBy H 1 3.095 0.007 A 120 HIS C C 13 174.381 0.164 A 120 HIS CA C 13 54.516 0.164 A 120 HIS CB C 13 26.504 0.164 A 120 HIS N N 15 117.315 0.121 A 121 LYS H H 1 8.336 0.007 A 121 LYS HA H 1 3.834 0.007 A 121 LYS HBy H 1 1.752 0.007 A 121 LYS HBx H 1 1.690 0.007 A 121 LYS HD2 H 1 1.607 0.007 A 121 LYS HD3 H 1 1.607 0.007 A 121 LYS HE2 H 1 2.920 0.007 A 121 LYS HE3 H 1 2.920 0.007 A 121 LYS HGy H 1 1.478 0.007 A 121 LYS HGx H 1 1.315 0.007 A 121 LYS C C 13 176.564 0.164 A 121 LYS CA C 13 57.295 0.164 A 121 LYS CB C 13 28.942 0.164 A 121 LYS CD C 13 26.369 0.164 A 121 LYS CE C 13 39.558 0.164 A 121 LYS CG C 13 22.825 0.164 A 121 LYS N N 15 118.678 0.121 A 122 ALA H H 1 7.584 0.007 A 122 ALA HA H 1 3.695 0.007 A 122 ALA HB% H 1 1.215 0.007 A 122 ALA C C 13 175.163 0.164 A 122 ALA CA C 13 51.692 0.164 A 122 ALA CB C 13 15.718 0.164 A 122 ALA N N 15 122.146 0.121 A 123 TYR H H 1 7.317 0.007 A 123 TYR HA H 1 3.153 0.007 A 123 TYR HBx H 1 1.997 0.007 A 123 TYR HBy H 1 2.708 0.007 A 123 TYR HDy H 1 6.126 0.007 A 123 TYR HDx H 1 6.019 0.007 A 123 TYR C C 13 174.340 0.164 A 123 TYR CA C 13 60.398 0.164 A 123 TYR CB C 13 34.663 0.164 A 123 TYR CDy C 13 128.624 0.164 A 123 TYR CDx C 13 128.467 0.164 A 123 TYR N N 15 119.730 0.121 A 124 VAL H H 1 7.799 0.007 A 124 VAL HA H 1 3.202 0.007 A 124 VAL HB H 1 2.150 0.007 A 124 VAL HGx% H 1 0.872 0.007 A 124 VAL HGy% H 1 1.033 0.007 A 124 VAL C C 13 175.603 0.164 A 124 VAL CA C 13 64.680 0.164 A 124 VAL CB C 13 29.289 0.164 A 124 VAL CGx C 13 18.710 0.164 A 124 VAL CGy C 13 18.757 0.164 A 124 VAL N N 15 118.649 0.121 A 125 SER H H 1 7.766 0.007 A 125 SER HA H 1 4.032 0.007 A 125 SER HB2 H 1 3.481 0.007 A 125 SER HB3 H 1 3.481 0.007 A 125 SER C C 13 174.849 0.164 A 125 SER CA C 13 59.002 0.164 A 125 SER CB C 13 59.613 0.164 A 125 SER N N 15 114.475 0.121 A 126 HIS H H 1 8.569 0.007 A 126 HIS HA H 1 4.127 0.007 A 126 HIS HBy H 1 2.375 0.007 A 126 HIS HBx H 1 1.957 0.007 A 126 HIS HD2 H 1 7.140 0.007 A 126 HIS C C 13 172.865 0.164 A 126 HIS CA C 13 55.706 0.164 A 126 HIS CB C 13 25.993 0.164 A 126 HIS CD2 C 13 114.487 0.164 A 126 HIS N N 15 119.326 0.121 A 127 PHE H H 1 9.139 0.007 A 127 PHE HA H 1 3.174 0.007 A 127 PHE HBx H 1 2.298 0.007 A 127 PHE HBy H 1 2.701 0.007 A 127 PHE HD1 H 1 6.722 0.007 A 127 PHE HD2 H 1 6.722 0.007 A 127 PHE C C 13 173.378 0.164 A 127 PHE CA C 13 60.867 0.164 A 127 PHE CB C 13 36.054 0.164 A 127 PHE CDy C 13 127.133 0.164 A 127 PHE N N 15 121.044 0.121 A 128 ASN H H 1 7.774 0.007 A 128 ASN HA H 1 4.040 0.007 A 128 ASN HBy H 1 2.819 0.007 A 128 ASN HBx H 1 2.516 0.007 A 128 ASN HD2x H 1 6.663 0.007 A 128 ASN HD2y H 1 7.200 0.007 A 128 ASN C C 13 175.230 0.164 A 128 ASN CA C 13 54.300 0.164 A 128 ASN CB C 13 36.171 0.164 A 128 ASN N N 15 114.893 0.121 A 128 ASN ND2 N 15 110.295 0.121 A 129 GLU H H 1 7.577 0.007 A 129 GLU HA H 1 4.040 0.007 A 129 GLU HBy H 1 2.196 0.007 A 129 GLU HBx H 1 2.100 0.007 A 129 GLU HGy H 1 2.457 0.007 A 129 GLU HGx H 1 2.191 0.007 A 129 GLU C C 13 177.052 0.164 A 129 GLU CA C 13 56.730 0.164 A 129 GLU CB C 13 27.196 0.164 A 129 GLU CG C 13 33.456 0.164 A 129 GLU N N 15 119.804 0.121 A 130 TRP H H 1 8.225 0.007 A 130 TRP HA H 1 4.457 0.007 A 130 TRP HB2 H 1 2.756 0.007 A 130 TRP HB3 H 1 2.756 0.007 A 130 TRP HD1 H 1 6.916 0.007 A 130 TRP HE1 H 1 10.456 0.007 A 130 TRP HE3 H 1 7.425 0.007 A 130 TRP HZ2 H 1 7.297 0.007 A 130 TRP C C 13 174.329 0.164 A 130 TRP CA C 13 54.688 0.164 A 130 TRP CB C 13 26.991 0.164 A 130 TRP CD1 C 13 119.278 0.164 A 130 TRP CE3 C 13 116.204 0.164 A 130 TRP CZ2 C 13 109.726 0.164 A 130 TRP N N 15 120.979 0.121 A 130 TRP NE1 N 15 127.613 0.121 A 131 ALA H H 1 8.081 0.007 A 131 ALA HA H 1 3.936 0.007 A 131 ALA HB% H 1 0.815 0.007 A 131 ALA C C 13 172.487 0.164 A 131 ALA CA C 13 48.434 0.164 A 131 ALA CB C 13 16.288 0.164 A 131 ALA N N 15 120.450 0.121 A 132 ASP H H 1 6.772 0.007 A 132 ASP HA H 1 4.208 0.007 A 132 ASP HBy H 1 2.841 0.007 A 132 ASP HBx H 1 2.513 0.007 A 132 ASP C C 13 173.804 0.164 A 132 ASP CA C 13 54.181 0.164 A 132 ASP CB C 13 39.321 0.164 A 132 ASP N N 15 117.813 0.121 A 133 GLY H H 1 8.626 0.007 A 133 GLY HAy H 1 4.370 0.007 A 133 GLY HAx H 1 3.556 0.007 A 133 GLY C C 13 172.078 0.164 A 133 GLY CA C 13 42.420 0.164 A 133 GLY N N 15 115.052 0.121 A 134 LEU H H 1 8.094 0.007 A 134 LEU HA H 1 4.472 0.007 A 134 LEU HBy H 1 1.831 0.007 A 134 LEU HBx H 1 1.185 0.007 A 134 LEU HDx% H 1 0.706 0.007 A 134 LEU HDy% H 1 1.004 0.007 A 134 LEU HG H 1 1.500 0.007 A 134 LEU C C 13 174.079 0.164 A 134 LEU CA C 13 50.964 0.164 A 134 LEU CB C 13 40.370 0.164 A 134 LEU CDy C 13 23.800 0.164 A 134 LEU CDx C 13 20.995 0.164 A 134 LEU CG C 13 24.280 0.164 A 134 LEU N N 15 120.063 0.121 A 135 ASN H H 1 8.513 0.007 A 135 ASN HA H 1 4.623 0.007 A 135 ASN HBy H 1 3.162 0.007 A 135 ASN HBx H 1 2.545 0.007 A 135 ASN HD2x H 1 6.826 0.007 A 135 ASN HD2y H 1 7.369 0.007 A 135 ASN C C 13 170.527 0.164 A 135 ASN CA C 13 49.002 0.164 A 135 ASN CB C 13 33.560 0.164 A 135 ASN N N 15 119.292 0.121 A 135 ASN ND2 N 15 110.357 0.121 A 136 VAL H H 1 7.648 0.007 A 136 VAL HA H 1 4.606 0.007 A 136 VAL HB H 1 2.060 0.007 A 136 VAL HGx% H 1 0.847 0.007 A 136 VAL HGy% H 1 0.788 0.007 A 136 VAL C C 13 175.420 0.164 A 136 VAL CA C 13 58.382 0.164 A 136 VAL CB C 13 29.247 0.164 A 136 VAL CGx C 13 19.118 0.164 A 136 VAL CGy C 13 19.489 0.164 A 136 VAL N N 15 125.412 0.121 A 137 ILE H H 1 9.139 0.007 A 137 ILE HA H 1 4.433 0.007 A 137 ILE HB H 1 1.989 0.007 A 137 ILE HD1% H 1 0.662 0.007 A 137 ILE HG12 H 1 0.660 0.007 A 137 ILE HG13 H 1 0.660 0.007 A 137 ILE HG2% H 1 0.808 0.007 A 137 ILE C C 13 173.906 0.164 A 137 ILE CA C 13 58.978 0.164 A 137 ILE CB C 13 36.196 0.164 A 137 ILE CD1 C 13 11.977 0.164 A 137 ILE CG1 C 13 23.681 0.164 A 137 ILE CG2 C 13 15.458 0.164 A 137 ILE N N 15 121.881 0.121 A 138 GLY H H 1 6.645 0.007 A 138 GLY HAy H 1 4.295 0.007 A 138 GLY HAx H 1 4.060 0.007 A 138 GLY CA C 13 43.391 0.164 A 138 GLY N N 15 108.226 0.121 A 139 VAL H H 1 8.092 0.007 A 139 VAL HA H 1 5.357 0.007 A 139 VAL HB H 1 2.077 0.007 A 139 VAL HGx% H 1 1.045 0.007 A 139 VAL HGy% H 1 0.812 0.007 A 139 VAL C C 13 172.327 0.164 A 139 VAL CA C 13 58.267 0.164 A 139 VAL CB C 13 32.743 0.164 A 139 VAL CGy C 13 21.406 0.164 A 139 VAL CGx C 13 19.783 0.164 A 139 VAL N N 15 119.408 0.121 A 140 ALA H H 1 9.093 0.007 A 140 ALA HA H 1 4.445 0.007 A 140 ALA HB% H 1 1.210 0.007 A 140 ALA C C 13 170.718 0.164 A 140 ALA CA C 13 48.900 0.164 A 140 ALA CB C 13 21.059 0.164 A 140 ALA N N 15 127.415 0.121 A 141 ARG H H 1 7.620 0.007 A 141 ARG HA H 1 2.487 0.007 A 141 ARG HBx H 1 0.790 0.007 A 141 ARG HBy H 1 1.246 0.007 A 141 ARG HDy H 1 2.986 0.007 A 141 ARG HDx H 1 2.732 0.007 A 141 ARG HGy H 1 1.443 0.007 A 141 ARG HGx H 1 0.935 0.007 A 141 ARG C C 13 173.375 0.164 A 141 ARG CA C 13 51.884 0.164 A 141 ARG CB C 13 28.684 0.164 A 141 ARG CD C 13 41.960 0.164 A 141 ARG CG C 13 23.668 0.164 A 141 ARG N N 15 119.287 0.121 A 142 ASP H H 1 9.482 0.007 A 142 ASP HA H 1 3.724 0.007 A 142 ASP HBx H 1 2.552 0.007 A 142 ASP HBy H 1 2.758 0.007 A 142 ASP C C 13 169.292 0.164 A 142 ASP CA C 13 53.338 0.164 A 142 ASP CB C 13 36.677 0.164 A 142 ASP N N 15 125.999 0.121 A 143 ASP H H 1 8.108 0.007 A 143 ASP HA H 1 4.306 0.007 A 143 ASP HBy H 1 3.004 0.007 A 143 ASP HBx H 1 1.969 0.007 A 143 ASP C C 13 175.686 0.164 A 143 ASP CA C 13 48.905 0.164 A 143 ASP CB C 13 36.312 0.164 A 143 ASP N N 15 119.293 0.121 A 144 SER H H 1 7.642 0.007 A 144 SER HA H 1 3.740 0.007 A 144 SER HBy H 1 3.905 0.007 A 144 SER HBx H 1 3.709 0.007 A 144 SER C C 13 172.925 0.164 A 144 SER CA C 13 59.213 0.164 A 144 SER CB C 13 60.806 0.164 A 144 SER N N 15 115.303 0.121 A 145 GLU H H 1 7.771 0.007 A 145 GLU HA H 1 4.306 0.007 A 145 GLU HBy H 1 1.350 0.007 A 145 GLU HBx H 1 0.174 0.007 A 145 GLU HGx H 1 1.740 0.007 A 145 GLU HGy H 1 1.833 0.007 A 145 GLU CA C 13 52.039 0.164 A 145 GLU CB C 13 26.800 0.164 A 145 GLU CG C 13 34.189 0.164 A 145 GLU N N 15 119.523 0.121 A 146 VAL H H 1 6.352 0.007 A 146 VAL HA H 1 2.941 0.007 A 146 VAL HB H 1 1.681 0.007 A 146 VAL HGx% H 1 0.730 0.007 A 146 VAL HGy% H 1 0.720 0.007 A 146 VAL C C 13 174.591 0.164 A 146 VAL CA C 13 63.932 0.164 A 146 VAL CB C 13 29.047 0.164 A 146 VAL CGx C 13 18.579 0.164 A 146 VAL CGy C 13 21.068 0.164 A 146 VAL N N 15 118.683 0.121 A 147 ASP H H 1 8.370 0.007 A 147 ASP HA H 1 4.055 0.007 A 147 ASP HB2 H 1 2.406 0.007 A 147 ASP HB3 H 1 2.406 0.007 A 147 ASP C C 13 174.783 0.164 A 147 ASP CA C 13 54.241 0.164 A 147 ASP CB C 13 37.233 0.164 A 147 ASP N N 15 119.312 0.121 A 148 LYS H H 1 7.040 0.007 A 148 LYS HA H 1 3.937 0.007 A 148 LYS HB2 H 1 1.690 0.007 A 148 LYS HB3 H 1 1.690 0.007 A 148 LYS HD2 H 1 1.581 0.007 A 148 LYS HD3 H 1 1.581 0.007 A 148 LYS HE2 H 1 2.935 0.007 A 148 LYS HE3 H 1 2.935 0.007 A 148 LYS HGy H 1 1.374 0.007 A 148 LYS HGx H 1 1.283 0.007 A 148 LYS C C 13 176.384 0.164 A 148 LYS CA C 13 55.706 0.164 A 148 LYS CB C 13 29.511 0.164 A 148 LYS CD C 13 26.559 0.164 A 148 LYS CE C 13 39.521 0.164 A 148 LYS CG C 13 22.195 0.164 A 148 LYS N N 15 119.342 0.121 A 149 TRP H H 1 7.811 0.007 A 149 TRP HA H 1 4.591 0.007 A 149 TRP HBx H 1 2.915 0.007 A 149 TRP HBy H 1 3.096 0.007 A 149 TRP HD1 H 1 6.865 0.007 A 149 TRP HE1 H 1 10.349 0.007 A 149 TRP HE3 H 1 7.040 0.007 A 149 TRP HZ2 H 1 6.917 0.007 A 149 TRP C C 13 174.212 0.164 A 149 TRP CA C 13 53.745 0.164 A 149 TRP CB C 13 26.940 0.164 A 149 TRP CD1 C 13 120.591 0.164 A 149 TRP CE3 C 13 115.826 0.164 A 149 TRP CZ2 C 13 110.173 0.164 A 149 TRP N N 15 118.258 0.121 A 149 TRP NE1 N 15 129.120 0.121 A 150 SER H H 1 7.793 0.007 A 150 SER HA H 1 4.234 0.007 A 150 SER HBx H 1 3.679 0.007 A 150 SER HBy H 1 3.988 0.007 A 150 SER C C 13 170.189 0.164 A 150 SER CA C 13 56.695 0.164 A 150 SER CB C 13 61.935 0.164 A 150 SER N N 15 109.618 0.121 A 151 LYS H H 1 7.201 0.007 A 151 LYS HA H 1 4.172 0.007 A 151 LYS HBy H 1 1.785 0.007 A 151 LYS HBx H 1 1.737 0.007 A 151 LYS HD2 H 1 1.579 0.007 A 151 LYS HD3 H 1 1.579 0.007 A 151 LYS HE2 H 1 2.906 0.007 A 151 LYS HE3 H 1 2.906 0.007 A 151 LYS HG2 H 1 1.383 0.007 A 151 LYS HG3 H 1 1.383 0.007 A 151 LYS CA C 13 55.367 0.164 A 151 LYS CB C 13 31.285 0.164 A 151 LYS CD C 13 26.688 0.164 A 151 LYS CE C 13 39.744 0.164 A 151 LYS CG C 13 22.234 0.164 A 151 LYS N N 15 127.362 0.121 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 13 TRP H A 17 THR H 1.0 . 5.50 2 2 A 13 TRP H A 14 SER H 1.0 . 3.44 3 3 A 13 TRP H A 13 TRP HB3 1.0 . 3.76 4 4 A 13 TRP H A 13 TRP HB2 1.0 . 3.87 5 5 A 13 TRP H A 85 PRO HG2 1.0 . 5.43 6 5 A 13 TRP H A 85 PRO HG3 1.0 . 5.43 7 6 A 13 TRP H A 12 SER HBx 1.0 . 5.25 8 7 A 87 TRP H A 88 SER H 1.0 . 4.96 9 8 A 87 TRP H A 89 GLY H 1.0 . 4.81 10 9 A 87 TRP H A 86 VAL HA 1.0 . 3.02 11 10 A 87 TRP H A 87 TRP HBy 1.0 . 3.68 12 11 A 87 TRP H A 87 TRP HBx 1.0 . 3.94 13 12 A 87 TRP H A 86 VAL HB 1.0 . 5.22 14 13 A 87 TRP H A 87 TRP HE3 1.0 . 5.50 15 14 A 7 LEU H A 8 ILE H 1.0 . 4.67 16 15 A 7 LEU H A 7 LEU HBy 1.0 . 3.85 17 16 A 7 LEU H A 7 LEU HD1% 1.0 . 5.34 18 16 A 7 LEU H A 7 LEU HD2% 1.0 . 5.34 19 17 A 7 LEU H A 7 LEU HBx 1.0 . 4.08 20 18 A 7 LEU H A 77 TYR HBy 1.0 . 4.91 21 19 A 28 ILE HA A 29 LYS H 1.0 . 2.77 22 20 A 7 LEU H A 80 ILE HG12 1.0 . 3.11 23 20 A 7 LEU H A 80 ILE HG13 1.0 . 3.11 24 21 A 29 LYS H A 29 LYS HGx 1.0 . 4.22 25 22 A 29 LYS H A 29 LYS HE2 1.0 . 5.48 26 22 A 29 LYS H A 29 LYS HE3 1.0 . 5.48 27 23 A 13 TRP HB3 A 13 TRP HE1 1.0 . 4.92 28 24 A 13 TRP HE1 A 85 PRO HG2 1.0 . 4.51 29 24 A 85 PRO HG3 A 13 TRP HE1 1.0 . 4.51 30 25 A 13 TRP HE1 A 85 PRO HBy 1.0 . 5.02 31 26 A 5 LYS H A 78 ASP HBx 1.0 . 3.52 32 27 A 5 LYS H A 78 ASP H 1.0 . 4.15 33 28 A 5 LYS H A 5 LYS HB2 1.0 . 3.21 34 28 A 5 LYS H A 5 LYS HB3 1.0 . 3.21 35 29 A 5 LYS H A 5 LYS HGy 1.0 . 4.01 36 30 A 149 TRP H A 149 TRP HE1 1.0 . 5.17 37 31 A 149 TRP HE1 A 148 LYS HE2 1.0 . 5.19 38 31 A 149 TRP HE1 A 148 LYS HE3 1.0 . 5.19 39 32 A 149 TRP HE1 A 139 VAL H 1.0 . 4.70 40 33 A 149 TRP HE1 A 138 GLY HAy 1.0 . 3.54 41 34 A 149 TRP HE1 A 148 LYS HB2 1.0 . 4.49 42 34 A 149 TRP HE1 A 148 LYS HB3 1.0 . 4.49 43 35 A 149 TRP HE1 A 145 GLU HBy 1.0 . 3.85 44 36 A 149 TRP HE1 A 137 ILE HD1% 1.0 . 4.84 45 37 A 149 TRP HE1 A 145 GLU HBx 1.0 . 4.11 46 38 A 149 TRP HE1 A 148 LYS HD2 1.0 . 5.29 47 38 A 149 TRP HE1 A 148 LYS HD3 1.0 . 5.29 48 39 A 14 SER H A 16 GLU H 1.0 . 4.70 49 40 A 16 GLU H A 12 SER HA 1.0 . 4.88 50 41 A 16 GLU H A 16 GLU HBy 1.0 . 3.78 51 42 A 16 GLU H A 16 GLU HGx 1.0 . 3.63 52 43 A 16 GLU H A 16 GLU HBx 1.0 . 4.07 53 44 A 17 THR H A 16 GLU H 1.0 . 3.61 54 45 A 16 GLU H A 18 LYS H 1.0 . 4.73 55 46 A 105 TYR H A 106 ARG H 1.0 . 4.69 56 47 A 106 ARG H A 75 ASN HD2x 1.0 . 4.53 57 48 A 106 ARG H A 105 TYR HA 1.0 . 2.89 58 49 A 106 ARG H A 105 TYR HBy 1.0 . 4.80 59 50 A 106 ARG H A 105 TYR HBx 1.0 . 4.43 60 51 A 106 ARG H A 106 ARG HBx 1.0 . 3.36 61 52 A 106 ARG H A 107 GLY HAx 1.0 . 5.35 62 53 A 89 GLY H A 86 VAL HGx% 1.0 . 3.84 63 54 A 43 PHE HBy A 87 TRP HE1 1.0 . 4.11 64 55 A 87 TRP HE1 A 50 THR HG2% 1.0 . 4.49 65 56 A 87 TRP HE1 A 45 ALA HB% 1.0 . 5.50 66 57 A 110 ALA H A 111 SER H 1.0 . 4.94 67 58 A 110 ALA H A 81 LEU HA 1.0 . 3.63 68 59 A 110 ALA H A 81 LEU HD1% 1.0 . 3.58 69 59 A 110 ALA H A 81 LEU HD2% 1.0 . 3.58 70 60 A 110 ALA H A 137 ILE HG12 1.0 . 4.20 71 60 A 110 ALA H A 137 ILE HG13 1.0 . 4.20 72 61 A 58 ILE HG2% A 130 TRP HE1 1.0 . 5.50 73 62 A 130 TRP HE1 A 129 GLU HBy 1.0 . 5.37 74 63 A 130 TRP HE1 A 130 TRP H 1.0 . 5.22 75 64 A 130 TRP HE1 A 58 ILE HG1x 1.0 . 5.50 76 65 A 46 ASP HBy A 47 MET H 1.0 . 5.40 77 66 A 111 SER H A 140 ALA H 1.0 . 4.53 78 67 A 140 ALA H A 113 PHE H 1.0 . 5.08 79 68 A 140 ALA H A 112 PHE HA 1.0 . 3.73 80 69 A 140 ALA H A 113 PHE HD% 1.0 . 4.81 81 70 A 140 ALA H A 139 VAL HA 1.0 . 3.07 82 71 A 140 ALA H A 112 PHE HBy 1.0 . 5.15 83 72 A 140 ALA H A 139 VAL HB 1.0 . 5.10 84 73 A 79 LEU HDy% A 151 LYS H 1.0 . 5.38 85 74 A 8 ILE H A 8 ILE HB 1.0 . 3.40 86 75 A 151 LYS H A 151 LYS HE2 1.0 . 5.04 87 75 A 151 LYS H A 151 LYS HE3 1.0 . 5.04 88 76 A 151 LYS H A 150 SER H 1.0 . 3.08 89 77 A 151 LYS H A 149 TRP HA 1.0 . 4.87 90 78 A 151 LYS H A 150 SER HBx 1.0 . 4.65 91 79 A 151 LYS H A 151 LYS HBx 1.0 . 3.11 92 80 A 9 LEU H A 34 LYS H 1.0 . 4.95 93 81 A 34 LYS H A 33 LEU HA 1.0 . 2.95 94 82 A 8 ILE HB A 34 LYS H 1.0 . 4.16 95 83 A 34 LYS H A 34 LYS HBy 1.0 . 3.98 96 84 A 34 LYS H A 34 LYS HBx 1.0 . 3.68 97 85 A 34 LYS H A 33 LEU HG 1.0 . 4.24 98 86 A 34 LYS H A 8 ILE HG2% 1.0 . 4.37 99 87 A 34 LYS H A 35 GLU H 1.0 . 4.82 100 88 A 9 LEU H A 9 LEU HBy 1.0 . 3.45 101 89 A 9 LEU H A 9 LEU HG 1.0 . 4.23 102 90 A 9 LEU H A 9 LEU HD1% 1.0 . 3.96 103 91 A 9 LEU H A 80 ILE HG2% 1.0 . 5.18 104 92 A 8 ILE H A 33 LEU H 1.0 . 5.41 105 93 A 8 ILE H A 8 ILE HG2% 1.0 . 4.84 106 94 A 8 ILE H A 7 LEU HBx 1.0 . 4.69 107 95 A 11 TYR HA A 36 VAL H 1.0 . 4.59 108 96 A 36 VAL H A 35 GLU HB2 1.0 . 3.29 109 96 A 36 VAL H A 35 GLU HB3 1.0 . 3.29 110 97 A 36 VAL H A 36 VAL HGy% 1.0 . 3.62 111 98 A 36 VAL H A 11 TYR HBy 1.0 . 5.41 112 99 A 36 VAL H A 12 SER H 1.0 . 5.50 113 100 A 7 LEU H A 81 LEU H 1.0 . 4.76 114 101 A 81 LEU H A 80 ILE HA 1.0 . 3.00 115 102 A 81 LEU H A 6 THR HA 1.0 . 5.50 116 103 A 81 LEU H A 8 ILE HA 1.0 . 3.91 117 104 A 81 LEU H A 81 LEU HG 1.0 . 4.06 118 105 A 81 LEU H A 80 ILE HB 1.0 . 4.73 119 106 A 39 SER H A 40 GLU H 1.0 . 4.63 120 107 A 40 GLU H A 39 SER HA 1.0 . 2.68 121 108 A 40 GLU H A 39 SER HBx 1.0 . 3.49 122 109 A 40 GLU H A 40 GLU HB2 1.0 . 2.95 123 109 A 40 GLU H A 40 GLU HB3 1.0 . 2.95 124 110 A 80 ILE H A 109 VAL H 1.0 . 5.06 125 111 A 80 ILE H A 109 VAL HA 1.0 . 3.76 126 112 A 80 ILE H A 79 LEU HA 1.0 . 3.02 127 113 A 80 ILE H A 108 GLU HBy 1.0 . 4.94 128 114 A 80 ILE H A 79 LEU HG 1.0 . 4.42 129 115 A 79 LEU HDy% A 80 ILE H 1.0 . 4.40 130 116 A 34 LYS H A 33 LEU H 1.0 . 4.65 131 117 A 33 LEU H A 25 ASN HD2x 1.0 . 5.04 132 118 A 33 LEU H A 32 GLU HA 1.0 . 2.85 133 119 A 33 LEU H A 32 GLU HGx 1.0 . 4.59 134 120 A 33 LEU H A 32 GLU HBx 1.0 . 3.59 135 121 A 33 LEU H A 33 LEU HBy 1.0 . 3.24 136 122 A 33 LEU H A 33 LEU HBx 1.0 . 3.51 137 123 A 33 LEU H A 33 LEU HDx% 1.0 . 4.89 138 124 A 5 LYS H A 6 THR H 1.0 . 4.83 139 125 A 6 THR H A 6 THR HG2% 1.0 . 4.67 140 126 A 6 THR H A 6 THR HB 1.0 . 3.30 141 127 A 6 THR H A 5 LYS HB2 1.0 . 4.16 142 127 A 5 LYS HB3 A 6 THR H 1.0 . 4.16 143 128 A 37 LYS H A 68 GLN H 1.0 . 3.92 144 129 A 37 LYS H A 38 VAL H 1.0 . 4.68 145 130 A 37 LYS H A 69 LEU HA 1.0 . 5.11 146 131 A 37 LYS H A 37 LYS HBy 1.0 . 3.93 147 132 A 37 LYS H A 37 LYS HBx 1.0 . 3.28 148 133 A 142 ASP H A 143 ASP H 1.0 . 5.16 149 134 A 142 ASP H A 141 ARG H 1.0 . 4.54 150 135 A 112 PHE HA A 142 ASP H 1.0 . 5.16 151 136 A 142 ASP H A 114 THR HA 1.0 . 4.51 152 137 A 142 ASP H A 141 ARG HA 1.0 . 3.05 153 138 A 142 ASP H A 114 THR HG2% 1.0 . 4.62 154 139 A 142 ASP H A 141 ARG HGx 1.0 . 4.16 155 140 A 142 ASP H A 141 ARG HBx 1.0 . 4.73 156 141 A 45 ALA H A 46 ASP H 1.0 . 3.50 157 142 A 46 ASP HBy A 45 ALA H 1.0 . 5.34 158 143 A 87 TRP HE1 A 45 ALA H 1.0 . 5.50 159 144 A 3 ALA H A 4 LYS H 1.0 . 3.32 160 145 A 3 ALA H A 3 ALA HB% 1.0 . 2.89 161 146 A 45 ALA H A 87 TRP HZ2 1.0 . 5.50 162 147 A 82 ILE H A 112 PHE H 1.0 . 4.43 163 148 A 112 PHE H A 111 SER HA 1.0 . 3.23 164 149 A 112 PHE H A 111 SER HBx 1.0 . 4.65 165 150 A 112 PHE H A 82 ILE HB 1.0 . 5.25 166 151 A 135 ASN H A 136 VAL H 1.0 . 4.59 167 152 A 136 VAL H A 135 ASN HBy 1.0 . 5.02 168 153 A 69 LEU H A 68 GLN HGx 1.0 . 4.45 169 153 A 68 GLN HGy A 69 LEU H 1.0 . 4.45 170 154 A 69 LEU H A 69 LEU HBy 1.0 . 3.59 171 155 A 68 GLN H A 69 LEU H 1.0 . 4.21 172 156 A 69 LEU H A 68 GLN HA 1.0 . 2.88 173 157 A 69 LEU H A 67 ILE HG1x 1.0 . 5.22 174 157 A 69 LEU H A 67 ILE HG1y 1.0 . 5.22 175 158 A 69 LEU H A 69 LEU HDx% 1.0 . 4.33 176 158 A 69 LEU H A 69 LEU HDy% 1.0 . 4.33 177 159 A 136 VAL H A 137 ILE H 1.0 . 4.95 178 160 A 73 ASP H A 76 ASN HD2x 1.0 . 5.14 179 161 A 73 ASP H A 73 ASP HBy 1.0 . 3.34 180 162 A 73 ASP H A 73 ASP HBx 1.0 . 3.45 181 163 A 73 ASP H A 72 ILE H 1.0 . 4.49 182 164 A 21 ALA H A 22 GLU HA 1.0 . 4.88 183 165 A 21 ALA H A 22 GLU H 1.0 . 3.47 184 166 A 21 ALA H A 20 MET H 1.0 . 3.40 185 167 A 109 VAL H A 137 ILE H 1.0 . 4.27 186 168 A 109 VAL H A 108 GLU HA 1.0 . 3.12 187 169 A 109 VAL H A 135 ASN HBy 1.0 . 4.92 188 170 A 109 VAL H A 109 VAL HB 1.0 . 3.34 189 171 A 109 VAL H A 137 ILE HG12 1.0 . 4.16 190 171 A 137 ILE HG13 A 109 VAL H 1.0 . 4.16 191 172 A 109 VAL H A 108 GLU H 1.0 . 4.87 192 173 A 21 ALA HA A 23 LYS H 1.0 . 5.36 193 174 A 21 ALA H A 23 LYS H 1.0 . 5.02 194 175 A 23 LYS H A 24 ILE H 1.0 . 3.50 195 176 A 22 GLU H A 23 LYS H 1.0 . 3.59 196 177 A 23 LYS H A 20 MET HA 1.0 . 3.97 197 178 A 23 LYS H A 22 GLU HGy 1.0 . 5.07 198 179 A 23 LYS H A 23 LYS HBy 1.0 . 3.08 199 180 A 23 LYS H A 23 LYS HBx 1.0 . 3.16 200 181 A 96 LYS H A 97 THR HB 1.0 . 5.34 201 182 A 69 LEU HA A 70 ASP H 1.0 . 2.72 202 183 A 70 ASP H A 70 ASP HBy 1.0 . 3.67 203 184 A 70 ASP H A 70 ASP HBx 1.0 . 3.10 204 185 A 69 LEU HBy A 70 ASP H 1.0 . 3.97 205 186 A 70 ASP H A 69 LEU HBx 1.0 . 3.87 206 187 A 70 ASP H A 69 LEU HDx% 1.0 . 3.82 207 187 A 69 LEU HDy% A 70 ASP H 1.0 . 3.82 208 188 A 73 ASP H A 74 TYR H 1.0 . 4.68 209 189 A 73 ASP HBx A 74 TYR H 1.0 . 4.46 210 190 A 96 LYS H A 95 ILE HG2% 1.0 . 5.42 211 191 A 96 LYS H A 96 LYS HBy 1.0 . 3.50 212 192 A 96 LYS H A 96 LYS HBx 1.0 . 3.45 213 193 A 96 LYS H A 97 THR H 1.0 . 3.48 214 194 A 96 LYS H A 93 THR HB 1.0 . 4.70 215 195 A 96 LYS H A 95 ILE HG1y 1.0 . 5.21 216 196 A 17 THR H A 17 THR HB 1.0 . 4.12 217 197 A 17 THR H A 12 SER HBx 1.0 . 4.92 218 198 A 5 LYS H A 79 LEU H 1.0 . 4.91 219 199 A 78 ASP H A 79 LEU H 1.0 . 3.05 220 200 A 80 ILE H A 79 LEU H 1.0 . 4.92 221 201 A 7 LEU H A 79 LEU H 1.0 . 4.58 222 202 A 6 THR HA A 79 LEU H 1.0 . 3.85 223 203 A 79 LEU H A 77 TYR HA 1.0 . 4.14 224 204 A 79 LEU H A 4 LYS HA 1.0 . 5.28 225 205 A 77 TYR HBy A 79 LEU H 1.0 . 3.95 226 206 A 79 LEU H A 77 TYR HBx 1.0 . 4.65 227 207 A 78 ASP HBx A 79 LEU H 1.0 . 3.98 228 208 A 79 LEU H A 79 LEU HBy 1.0 . 3.67 229 209 A 79 LEU H A 79 LEU HBx 1.0 . 3.93 230 210 A 74 TYR H A 74 TYR HD% 1.0 . 3.55 231 211 A 74 TYR H A 74 TYR HBy 1.0 . 3.85 232 212 A 74 TYR H A 74 TYR HBx 1.0 . 3.62 233 213 A 74 TYR H A 80 ILE HD1% 1.0 . 5.50 234 214 A 74 TYR H A 76 ASN H 1.0 . 5.10 235 215 A 74 TYR H A 74 TYR HE% 1.0 . 5.40 236 216 A 17 THR H A 16 GLU HBy 1.0 . 4.16 237 217 A 17 THR H A 12 SER HA 1.0 . 4.92 238 218 A 79 LEU H A 77 TYR HD% 1.0 . 5.47 239 219 A 88 SER H A 89 GLY H 1.0 . 3.85 240 220 A 88 SER H A 87 TRP HA 1.0 . 3.09 241 221 A 88 SER H A 87 TRP HBx 1.0 . 4.94 242 222 A 116 ALA H A 117 GLY HAx 1.0 . 5.11 243 223 A 86 VAL HB A 116 ALA H 1.0 . 4.92 244 224 A 116 ALA H A 86 VAL HGy% 1.0 . 5.44 245 225 A 116 ALA H A 117 GLY H 1.0 . 3.42 246 226 A 116 ALA H A 115 SER HBy 1.0 . 3.74 247 227 A 116 ALA H A 115 SER HBx 1.0 . 3.46 248 228 A 105 TYR H A 104 ASN HD2x 1.0 . 4.70 249 229 A 105 TYR H A 103 LYS HA 1.0 . 4.07 250 230 A 105 TYR H A 105 TYR HBy 1.0 . 3.29 251 231 A 105 TYR H A 134 LEU HDy% 1.0 . 4.22 252 232 A 105 TYR H A 105 TYR HD% 1.0 . 4.72 253 233 A 35 GLU H A 35 GLU HB2 1.0 . 3.20 254 233 A 35 GLU H A 35 GLU HB3 1.0 . 3.20 255 234 A 35 GLU H A 34 LYS HGy 1.0 . 5.00 256 235 A 35 GLU H A 36 VAL HGy% 1.0 . 4.86 257 236 A 35 GLU H A 36 VAL H 1.0 . 4.74 258 237 A 24 ILE H A 23 LYS HBx 1.0 . 4.15 259 238 A 22 GLU H A 24 ILE H 1.0 . 5.21 260 239 A 24 ILE H A 23 LYS HBy 1.0 . 3.62 261 240 A 24 ILE H A 24 ILE HG1y 1.0 . 3.48 262 241 A 24 ILE H A 24 ILE HB 1.0 . 3.29 263 242 A 24 ILE H A 24 ILE HG1x 1.0 . 4.00 264 243 A 121 LYS H A 122 ALA H 1.0 . 3.23 265 244 A 122 ALA H A 123 TYR H 1.0 . 3.53 266 245 A 122 ALA H A 121 LYS HBx 1.0 . 3.49 267 246 A 122 ALA H A 119 ASN HA 1.0 . 5.08 268 247 A 122 ALA H A 125 SER HB2 1.0 . 5.29 269 247 A 122 ALA H A 125 SER HB3 1.0 . 5.29 270 248 A 24 ILE H A 25 ASN HA 1.0 . 5.43 271 249 A 122 ALA H A 120 HIS H 1.0 . 4.24 272 250 A 122 ALA H A 124 VAL H 1.0 . 4.81 273 251 A 122 ALA H A 125 SER H 1.0 . 4.99 274 252 A 138 GLY HAy A 137 ILE H 1.0 . 5.50 275 253 A 50 THR HG2% A 53 ILE H 1.0 . 5.50 276 254 A 53 ILE H A 49 LYS HA 1.0 . 5.27 277 255 A 53 ILE H A 56 ASP HBy 1.0 . 5.50 278 256 A 53 ILE H A 52 ASP HBy 1.0 . 3.65 279 257 A 53 ILE H A 53 ILE HB 1.0 . 3.18 280 258 A 53 ILE H A 53 ILE HG1y 1.0 . 3.44 281 259 A 53 ILE H A 54 ALA HB% 1.0 . 5.18 282 260 A 137 ILE H A 109 VAL HB 1.0 . 4.48 283 261 A 137 ILE H A 137 ILE HG12 1.0 . 3.28 284 261 A 137 ILE HG13 A 137 ILE H 1.0 . 3.28 285 262 A 5 LYS H A 4 LYS H 1.0 . 4.40 286 263 A 4 LYS H A 4 LYS HDy 1.0 . 3.43 287 264 A 4 LYS H A 3 ALA HB% 1.0 . 3.85 288 265 A 68 GLN H A 38 VAL HA 1.0 . 4.50 289 266 A 68 GLN H A 67 ILE HG1x 1.0 . 4.95 290 266 A 68 GLN H A 67 ILE HG1y 1.0 . 4.95 291 267 A 68 GLN H A 36 VAL HA 1.0 . 5.27 292 268 A 68 GLN H A 68 GLN HGx 1.0 . 4.02 293 268 A 68 GLN H A 68 GLN HGy 1.0 . 4.02 294 269 A 68 GLN H A 67 ILE HB 1.0 . 3.00 295 270 A 68 GLN H A 38 VAL HGx% 1.0 . 4.79 296 271 A 46 ASP H A 49 LYS H 1.0 . 5.28 297 272 A 49 LYS H A 50 THR H 1.0 . 3.39 298 273 A 46 ASP HBy A 49 LYS H 1.0 . 3.96 299 274 A 49 LYS H A 49 LYS HBy 1.0 . 3.57 300 275 A 49 LYS H A 49 LYS HBx 1.0 . 3.78 301 276 A 68 GLN H A 36 VAL HGx% 1.0 . 4.52 302 277 A 44 ASP H A 53 ILE HD1% 1.0 . 4.40 303 278 A 54 ALA H A 55 LEU H 1.0 . 3.47 304 279 A 53 ILE H A 54 ALA H 1.0 . 3.37 305 280 A 53 ILE HB A 54 ALA H 1.0 . 3.51 306 281 A 54 ALA H A 53 ILE HG2% 1.0 . 3.99 307 282 A 50 THR HG2% A 54 ALA H 1.0 . 5.34 308 283 A 8 ILE H A 32 GLU H 1.0 . 4.29 309 284 A 32 GLU H A 7 LEU HA 1.0 . 3.77 310 285 A 32 GLU H A 31 SER HBx 1.0 . 3.60 311 286 A 32 GLU HBx A 32 GLU H 1.0 . 3.40 312 287 A 32 GLU H A 8 ILE HD1% 1.0 . 4.94 313 288 A 33 LEU H A 32 GLU H 1.0 . 4.61 314 289 A 32 GLU H A 25 ASN HD2y 1.0 . 5.50 315 290 A 32 GLU H A 31 SER HA 1.0 . 3.06 316 291 A 32 GLU H A 32 GLU HGy 1.0 . 4.50 317 292 A 32 GLU HGx A 32 GLU H 1.0 . 5.03 318 293 A 87 TRP HE1 A 44 ASP H 1.0 . 4.17 319 294 A 44 ASP H A 43 PHE HD% 1.0 . 4.36 320 295 A 43 PHE HBy A 44 ASP H 1.0 . 3.19 321 296 A 44 ASP H A 50 THR HA 1.0 . 4.68 322 297 A 44 ASP H A 43 PHE HBx 1.0 . 3.51 323 298 A 44 ASP H A 44 ASP HBy 1.0 . 3.72 324 299 A 44 ASP H A 44 ASP HBx 1.0 . 3.74 325 300 A 50 THR HG2% A 44 ASP H 1.0 . 4.68 326 301 A 78 ASP H A 77 TYR HD% 1.0 . 5.32 327 302 A 7 LEU H A 78 ASP H 1.0 . 5.21 328 303 A 78 ASP H A 6 THR HA 1.0 . 4.96 329 304 A 78 ASP H A 79 LEU HA 1.0 . 5.50 330 305 A 77 TYR HBy A 78 ASP H 1.0 . 3.95 331 306 A 78 ASP H A 77 TYR HBx 1.0 . 4.36 332 307 A 78 ASP HBx A 78 ASP H 1.0 . 3.73 333 308 A 78 ASP H A 5 LYS HB2 1.0 . 3.59 334 308 A 78 ASP H A 5 LYS HB3 1.0 . 3.59 335 309 A 65 PRO HBy A 66 GLU H 1.0 . 3.31 336 310 A 66 GLU H A 66 GLU HBx 1.0 . 3.06 337 311 A 66 GLU H A 97 THR HG2% 1.0 . 5.50 338 312 A 38 VAL HGx% A 66 GLU H 1.0 . 5.50 339 313 A 66 GLU H A 67 ILE HG2% 1.0 . 5.50 340 314 A 66 GLU H A 42 THR HG2% 1.0 . 5.45 341 315 A 11 TYR H A 83 GLY H 1.0 . 4.44 342 316 A 11 TYR H A 11 TYR HDy 1.0 . 5.36 343 317 A 11 TYR H A 95 ILE HD1% 1.0 . 4.50 344 318 A 11 TYR H A 10 TYR HA 1.0 . 3.09 345 319 A 11 TYR HBy A 11 TYR H 1.0 . 3.61 346 320 A 11 TYR H A 11 TYR HBx 1.0 . 3.54 347 321 A 11 TYR H A 82 ILE HG2% 1.0 . 4.81 348 322 A 127 PHE H A 129 GLU H 1.0 . 5.05 349 323 A 127 PHE H A 126 HIS H 1.0 . 3.41 350 324 A 127 PHE H A 128 ASN H 1.0 . 3.38 351 325 A 127 PHE H A 127 PHE HD% 1.0 . 4.36 352 326 A 127 PHE H A 127 PHE HBy 1.0 . 3.40 353 327 A 127 PHE H A 127 PHE HBx 1.0 . 3.38 354 328 A 127 PHE H A 126 HIS HBx 1.0 . 4.18 355 329 A 47 MET H A 48 TYR H 1.0 . 3.65 356 330 A 49 LYS H A 48 TYR H 1.0 . 3.11 357 331 A 48 TYR H A 48 TYR HE% 1.0 . 5.07 358 332 A 48 TYR H A 48 TYR HBx 1.0 . 3.13 359 333 A 127 PHE H A 91 PRO HGy 1.0 . 5.35 360 334 A 82 ILE H A 82 ILE HB 1.0 . 3.34 361 335 A 9 LEU H A 82 ILE H 1.0 . 5.00 362 336 A 82 ILE H A 110 ALA HB% 1.0 . 5.50 363 337 A 130 TRP H A 131 ALA H 1.0 . 3.28 364 338 A 130 TRP H A 129 GLU H 1.0 . 3.44 365 339 A 130 TRP H A 130 TRP HD1 1.0 . 3.91 366 340 A 130 TRP H A 127 PHE HA 1.0 . 4.57 367 341 A 130 TRP H A 130 TRP HB2 1.0 . 3.23 368 341 A 130 TRP H A 130 TRP HB3 1.0 . 3.23 369 342 A 129 GLU HBy A 130 TRP H 1.0 . 3.50 370 343 A 98 LEU H A 99 LEU H 1.0 . 3.74 371 344 A 96 LYS H A 98 LEU H 1.0 . 4.83 372 345 A 97 THR H A 98 LEU H 1.0 . 3.57 373 346 A 97 THR HB A 98 LEU H 1.0 . 3.43 374 347 A 98 LEU H A 98 LEU HBy 1.0 . 3.45 375 348 A 98 LEU H A 98 LEU HBx 1.0 . 3.68 376 349 A 98 LEU H A 98 LEU HD1% 1.0 . 4.14 377 349 A 98 LEU H A 98 LEU HD2% 1.0 . 4.14 378 350 A 9 LEU H A 83 GLY H 1.0 . 4.71 379 351 A 83 GLY H A 10 TYR HBy 1.0 . 4.50 380 352 A 83 GLY H A 10 TYR HBx 1.0 . 4.78 381 353 A 82 ILE HB A 83 GLY H 1.0 . 4.48 382 354 A 80 ILE HG2% A 82 ILE H 1.0 . 5.50 383 355 A 57 GLN HBy A 58 ILE H 1.0 . 4.11 384 356 A 58 ILE H A 55 LEU HA 1.0 . 4.55 385 357 A 58 ILE H A 58 ILE HB 1.0 . 3.07 386 358 A 58 ILE HG1x A 58 ILE H 1.0 . 4.44 387 359 A 58 ILE H A 58 ILE HD1% 1.0 . 4.69 388 360 A 131 ALA H A 130 TRP HB2 1.0 . 4.02 389 360 A 131 ALA H A 130 TRP HB3 1.0 . 4.02 390 361 A 131 ALA H A 99 LEU HDx% 1.0 . 4.44 391 362 A 92 ALA H A 93 THR H 1.0 . 3.26 392 363 A 89 GLY H A 90 TYR H 1.0 . 3.35 393 364 A 90 TYR H A 90 TYR HBy 1.0 . 3.83 394 365 A 87 TRP HBx A 90 TYR H 1.0 . 3.42 395 366 A 58 ILE HD1% A 90 TYR H 1.0 . 5.50 396 367 A 131 ALA H A 127 PHE HA 1.0 . 5.44 397 368 A 88 SER H A 90 TYR H 1.0 . 5.04 398 369 A 87 TRP H A 90 TYR H 1.0 . 4.35 399 370 A 90 TYR H A 90 TYR HD% 1.0 . 3.97 400 371 A 134 LEU H A 134 LEU HBy 1.0 . 3.43 401 372 A 134 LEU HDy% A 134 LEU H 1.0 . 4.37 402 373 A 55 LEU H A 56 ASP H 1.0 . 3.32 403 374 A 56 ASP H A 53 ILE HA 1.0 . 4.16 404 375 A 56 ASP HBy A 56 ASP H 1.0 . 3.09 405 376 A 56 ASP H A 57 GLN HGy 1.0 . 4.88 406 377 A 56 ASP H A 55 LEU HBx 1.0 . 3.72 407 378 A 56 ASP H A 55 LEU HDy% 1.0 . 5.50 408 379 A 24 ILE H A 27 GLU H 1.0 . 5.38 409 380 A 27 GLU H A 25 ASN H 1.0 . 5.34 410 381 A 27 GLU H A 28 ILE H 1.0 . 3.24 411 382 A 27 GLU H A 26 SER HBx 1.0 . 4.11 412 383 A 27 GLU H A 24 ILE HA 1.0 . 3.93 413 384 A 27 GLU H A 27 GLU HGy 1.0 . 3.71 414 385 A 27 GLU H A 27 GLU HBy 1.0 . 3.50 415 386 A 27 GLU H A 27 GLU HBx 1.0 . 3.89 416 387 A 27 GLU H A 28 ILE HG12 1.0 . 4.87 417 387 A 27 GLU H A 28 ILE HG13 1.0 . 4.87 418 388 A 27 GLU H A 146 VAL HGx% 1.0 . 5.24 419 389 A 17 THR H A 18 LYS H 1.0 . 3.79 420 390 A 18 LYS H A 12 SER HBy 1.0 . 4.30 421 391 A 12 SER HBx A 18 LYS H 1.0 . 4.04 422 392 A 18 LYS H A 18 LYS HBx 1.0 . 3.72 423 393 A 18 LYS H A 21 ALA HB% 1.0 . 5.22 424 394 A 134 LEU H A 134 LEU HBx 1.0 . 3.83 425 395 A 54 ALA H A 56 ASP H 1.0 . 4.66 426 396 A 56 ASP H A 57 GLN H 1.0 . 3.42 427 397 A 56 ASP H A 54 ALA HA 1.0 . 4.38 428 398 A 57 GLN H A 54 ALA HA 1.0 . 4.23 429 399 A 58 ILE H A 57 GLN H 1.0 . 3.52 430 400 A 57 GLN H A 57 GLN HE22 1.0 . 5.50 431 400 A 57 GLN H A 57 GLN HE21 1.0 . 5.50 432 401 A 57 GLN HGy A 57 GLN H 1.0 . 3.23 433 402 A 57 GLN H A 57 GLN HGx 1.0 . 4.21 434 403 A 57 GLN H A 57 GLN HBx 1.0 . 3.94 435 404 A 62 LYS HBx A 63 ASP H 1.0 . 4.04 436 405 A 63 ASP H A 62 LYS H 1.0 . 4.73 437 406 A 63 ASP H A 63 ASP HBx 1.0 . 3.14 438 407 A 63 ASP H A 62 LYS HBy 1.0 . 3.38 439 408 A 63 ASP H A 62 LYS HGx 1.0 . 4.32 440 409 A 57 GLN H A 62 LYS HBx 1.0 . 5.32 441 410 A 53 ILE HG2% A 57 GLN H 1.0 . 5.50 442 411 A 129 GLU H A 131 ALA H 1.0 . 4.53 443 412 A 64 PHE H A 64 PHE HD% 1.0 . 3.85 444 413 A 64 PHE H A 63 ASP HA 1.0 . 3.03 445 414 A 129 GLU H A 129 GLU HGy 1.0 . 3.72 446 415 A 129 GLU HBy A 129 GLU H 1.0 . 3.15 447 416 A 123 TYR H A 124 VAL H 1.0 . 3.48 448 417 A 123 TYR H A 123 TYR HDx 1.0 . 5.00 449 418 A 129 GLU H A 131 ALA HB% 1.0 . 5.30 450 419 A 53 ILE H A 52 ASP H 1.0 . 3.60 451 420 A 52 ASP H A 51 SER HA 1.0 . 3.52 452 421 A 52 ASP H A 51 SER HB2 1.0 . 3.68 453 421 A 52 ASP H A 51 SER HB3 1.0 . 3.68 454 422 A 52 ASP HBy A 52 ASP H 1.0 . 3.22 455 423 A 53 ILE HD1% A 52 ASP H 1.0 . 5.25 456 424 A 54 ALA H A 52 ASP H 1.0 . 4.74 457 425 A 121 LYS H A 123 TYR H 1.0 . 4.88 458 426 A 123 TYR H A 120 HIS HA 1.0 . 3.94 459 427 A 123 TYR H A 123 TYR HBy 1.0 . 3.42 460 428 A 86 VAL HGx% A 123 TYR H 1.0 . 5.47 461 429 A 86 VAL HGy% A 123 TYR H 1.0 . 5.36 462 430 A 145 GLU H A 147 ASP H 1.0 . 5.09 463 431 A 145 GLU H A 146 VAL H 1.0 . 3.05 464 432 A 145 GLU H A 144 SER HBy 1.0 . 5.30 465 433 A 145 GLU H A 144 SER HBx 1.0 . 4.15 466 434 A 145 GLU H A 145 GLU HGy 1.0 . 4.30 467 435 A 145 GLU HBy A 145 GLU H 1.0 . 4.07 468 436 A 145 GLU HBx A 145 GLU H 1.0 . 3.59 469 437 A 30 ASP H A 29 LYS HE2 1.0 . 3.88 470 437 A 29 LYS HE3 A 30 ASP H 1.0 . 3.88 471 438 A 143 ASP H A 142 ASP HBx 1.0 . 3.06 472 439 A 139 VAL H A 140 ALA H 1.0 . 4.75 473 440 A 139 VAL H A 111 SER H 1.0 . 5.50 474 441 A 139 VAL H A 138 GLY H 1.0 . 4.38 475 442 A 139 VAL H A 138 GLY HAy 1.0 . 3.16 476 443 A 139 VAL H A 138 GLY HAx 1.0 . 2.99 477 444 A 139 VAL H A 139 VAL HB 1.0 . 3.48 478 445 A 139 VAL H A 149 TRP HZ2 1.0 . 4.44 479 446 A 146 VAL HGx% A 148 LYS H 1.0 . 5.50 480 447 A 46 ASP H A 49 LYS HBy 1.0 . 5.50 481 448 A 46 ASP H A 87 TRP HZ2 1.0 . 5.50 482 449 A 30 ASP H A 29 LYS HA 1.0 . 2.74 483 450 A 30 ASP H A 29 LYS HBx 1.0 . 3.78 484 451 A 30 ASP H A 29 LYS HGx 1.0 . 3.75 485 452 A 29 LYS H A 30 ASP H 1.0 . 4.97 486 453 A 123 TYR H A 126 HIS H 1.0 . 5.47 487 454 A 125 SER H A 126 HIS H 1.0 . 3.31 488 455 A 126 HIS H A 126 HIS HD2 1.0 . 4.80 489 456 A 126 HIS H A 122 ALA HA 1.0 . 4.41 490 457 A 126 HIS H A 125 SER HB2 1.0 . 3.28 491 457 A 125 SER HB3 A 126 HIS H 1.0 . 3.28 492 458 A 126 HIS H A 123 TYR HA 1.0 . 4.11 493 459 A 126 HIS H A 126 HIS HBy 1.0 . 3.39 494 460 A 126 HIS H A 126 HIS HBx 1.0 . 3.79 495 461 A 126 HIS H A 122 ALA HB% 1.0 . 5.21 496 462 A 126 HIS H A 124 VAL HGy% 1.0 . 5.50 497 463 A 135 ASN H A 134 LEU H 1.0 . 5.10 498 464 A 135 ASN H A 134 LEU HA 1.0 . 3.17 499 465 A 135 ASN H A 135 ASN HBy 1.0 . 3.52 500 466 A 135 ASN H A 134 LEU HBy 1.0 . 4.21 501 467 A 135 ASN H A 134 LEU HBx 1.0 . 3.72 502 468 A 149 TRP H A 147 ASP H 1.0 . 4.05 503 469 A 147 ASP H A 148 LYS H 1.0 . 3.16 504 470 A 147 ASP H A 146 VAL H 1.0 . 3.28 505 471 A 147 ASP H A 145 GLU HA 1.0 . 4.16 506 472 A 147 ASP H A 146 VAL HB 1.0 . 4.49 507 473 A 145 GLU HBy A 147 ASP H 1.0 . 5.50 508 474 A 147 ASP H A 146 VAL HGy% 1.0 . 3.88 509 475 A 141 ARG H A 140 ALA HA 1.0 . 2.99 510 476 A 141 ARG H A 141 ARG HGy 1.0 . 5.27 511 477 A 141 ARG H A 140 ALA HB% 1.0 . 3.27 512 478 A 141 ARG H A 141 ARG HBx 1.0 . 3.33 513 479 A 140 ALA H A 141 ARG H 1.0 . 5.00 514 480 A 141 ARG H A 141 ARG HGx 1.0 . 4.70 515 481 A 20 MET H A 20 MET HBx 1.0 . 3.31 516 482 A 20 MET H A 19 LYS HBy 1.0 . 3.52 517 483 A 149 TRP H A 148 LYS H 1.0 . 3.06 518 484 A 146 VAL H A 148 LYS H 1.0 . 4.85 519 485 A 148 LYS H A 145 GLU HA 1.0 . 3.95 520 486 A 148 LYS H A 149 TRP HBy 1.0 . 5.25 521 487 A 148 LYS H A 148 LYS HB2 1.0 . 2.93 522 487 A 148 LYS HB3 A 148 LYS H 1.0 . 2.93 523 488 A 145 GLU HBy A 148 LYS H 1.0 . 4.20 524 489 A 99 LEU H A 95 ILE HB 1.0 . 5.50 525 490 A 99 LEU H A 98 LEU HBx 1.0 . 4.05 526 491 A 97 THR H A 99 LEU H 1.0 . 5.36 527 492 A 99 LEU H A 98 LEU HBy 1.0 . 3.69 528 493 A 99 LEU H A 99 LEU HG 1.0 . 3.28 529 494 A 99 LEU H A 98 LEU HG 1.0 . 4.59 530 495 A 99 LEU H A 99 LEU HBx 1.0 . 3.76 531 496 A 99 LEU H A 98 LEU HD1% 1.0 . 4.41 532 496 A 99 LEU H A 98 LEU HD2% 1.0 . 4.41 533 497 A 124 VAL H A 125 SER HB2 1.0 . 5.50 534 497 A 125 SER HB3 A 124 VAL H 1.0 . 5.50 535 498 A 28 ILE H A 24 ILE HA 1.0 . 5.50 536 499 A 121 LYS H A 119 ASN H 1.0 . 4.90 537 500 A 121 LYS H A 121 LYS HBy 1.0 . 3.10 538 501 A 121 LYS H A 120 HIS HBy 1.0 . 4.13 539 502 A 121 LYS H A 121 LYS HGy 1.0 . 3.86 540 503 A 25 ASN H A 24 ILE HD1% 1.0 . 5.50 541 504 A 24 ILE H A 25 ASN H 1.0 . 3.68 542 505 A 23 LYS H A 25 ASN H 1.0 . 4.33 543 506 A 25 ASN H A 25 ASN HBy 1.0 . 3.32 544 507 A 25 ASN H A 25 ASN HBx 1.0 . 3.31 545 508 A 24 ILE HB A 25 ASN H 1.0 . 3.89 546 509 A 25 ASN H A 21 ALA HB% 1.0 . 5.29 547 510 A 8 ILE HD1% A 25 ASN H 1.0 . 3.92 548 511 A 99 LEU H A 100 ASP H 1.0 . 3.64 549 512 A 100 ASP H A 97 THR HA 1.0 . 4.08 550 513 A 100 ASP H A 96 LYS HA 1.0 . 4.98 551 514 A 100 ASP H A 100 ASP HBy 1.0 . 3.16 552 515 A 100 ASP H A 99 LEU HBy 1.0 . 3.78 553 516 A 99 LEU HBx A 100 ASP H 1.0 . 4.34 554 517 A 99 LEU HDx% A 100 ASP H 1.0 . 5.50 555 518 A 124 VAL H A 123 TYR HBy 1.0 . 3.67 556 519 A 124 VAL H A 123 TYR HBx 1.0 . 4.08 557 520 A 124 VAL H A 124 VAL HGx% 1.0 . 4.37 558 521 A 124 VAL H A 121 LYS HA 1.0 . 4.04 559 522 A 124 VAL H A 122 ALA HA 1.0 . 5.00 560 523 A 40 GLU H A 42 THR H 1.0 . 5.23 561 524 A 42 THR H A 41 GLY H 1.0 . 3.32 562 525 A 42 THR H A 41 GLY HAy 1.0 . 3.47 563 526 A 42 THR H A 42 THR HB 1.0 . 3.01 564 527 A 42 THR H A 38 VAL HGy% 1.0 . 4.52 565 528 A 28 ILE H A 27 GLU HBy 1.0 . 4.41 566 529 A 28 ILE H A 27 GLU HBx 1.0 . 5.04 567 530 A 28 ILE H A 28 ILE HB 1.0 . 3.16 568 531 A 28 ILE H A 24 ILE HG2% 1.0 . 5.50 569 532 A 29 LYS H A 28 ILE H 1.0 . 4.47 570 533 A 22 GLU H A 25 ASN H 1.0 . 5.50 571 534 A 43 PHE HBx A 42 THR H 1.0 . 5.50 572 535 A 42 THR H A 40 GLU HB2 1.0 . 5.35 573 535 A 40 GLU HB3 A 42 THR H 1.0 . 5.35 574 536 A 42 THR H A 43 PHE HA 1.0 . 5.47 575 537 A 101 GLN HBx A 102 MET H 1.0 . 4.44 576 538 A 102 MET H A 102 MET HGy 1.0 . 3.79 577 539 A 102 MET H A 102 MET HBx 1.0 . 3.42 578 540 A 102 MET H A 98 LEU HD1% 1.0 . 5.20 579 540 A 98 LEU HD2% A 102 MET H 1.0 . 5.20 580 541 A 149 TRP H A 150 SER HA 1.0 . 5.50 581 542 A 100 ASP H A 102 MET H 1.0 . 4.98 582 543 A 62 LYS H A 60 GLY H 1.0 . 4.83 583 544 A 62 LYS HBx A 62 LYS H 1.0 . 3.97 584 545 A 149 TRP H A 151 LYS H 1.0 . 5.37 585 546 A 149 TRP H A 149 TRP HBy 1.0 . 3.40 586 547 A 149 TRP H A 146 VAL HA 1.0 . 3.41 587 548 A 149 TRP H A 148 LYS HB2 1.0 . 3.77 588 548 A 149 TRP H A 148 LYS HB3 1.0 . 3.77 589 549 A 149 TRP H A 145 GLU HBy 1.0 . 4.90 590 550 A 149 TRP H A 146 VAL HGx% 1.0 . 5.33 591 551 A 39 SER H A 38 VAL H 1.0 . 4.79 592 552 A 39 SER H A 68 GLN HE2x 1.0 . 4.89 593 553 A 39 SER H A 67 ILE HA 1.0 . 4.96 594 554 A 39 SER H A 39 SER HBx 1.0 . 3.05 595 555 A 39 SER H A 38 VAL HB 1.0 . 3.11 596 556 A 39 SER H A 68 GLN HGx 1.0 . 5.50 597 556 A 39 SER H A 68 GLN HGy 1.0 . 5.50 598 557 A 39 SER H A 42 THR H 1.0 . 5.43 599 558 A 100 ASP H A 101 GLN H 1.0 . 3.47 600 559 A 102 MET H A 101 GLN H 1.0 . 3.23 601 560 A 101 GLN H A 101 GLN HGy 1.0 . 3.63 602 561 A 101 GLN H A 101 GLN HGx 1.0 . 3.68 603 562 A 101 GLN H A 99 LEU HDy% 1.0 . 5.50 604 563 A 101 GLN H A 98 LEU HA 1.0 . 4.14 605 564 A 97 THR HA A 101 GLN H 1.0 . 5.20 606 565 A 101 GLN H A 98 LEU HD1% 1.0 . 5.34 607 565 A 98 LEU HD2% A 101 GLN H 1.0 . 5.34 608 566 A 11 TYR HBy A 12 SER H 1.0 . 4.45 609 567 A 12 SER H A 11 TYR HDy 1.0 . 4.33 610 568 A 11 TYR HA A 12 SER H 1.0 . 3.03 611 569 A 12 SER H A 12 SER HBy 1.0 . 3.72 612 570 A 12 SER H A 36 VAL HB 1.0 . 5.50 613 571 A 130 TRP H A 132 ASP H 1.0 . 4.83 614 572 A 131 ALA H A 132 ASP H 1.0 . 3.43 615 573 A 132 ASP H A 130 TRP HA 1.0 . 4.60 616 574 A 132 ASP H A 129 GLU HA 1.0 . 4.69 617 575 A 132 ASP H A 132 ASP HBy 1.0 . 3.16 618 576 A 131 ALA HB% A 132 ASP H 1.0 . 4.38 619 577 A 62 LYS H A 61 ASN H 1.0 . 3.11 620 578 A 61 ASN H A 61 ASN HD2x 1.0 . 5.02 621 579 A 61 ASN H A 61 ASN HBy 1.0 . 3.88 622 580 A 61 ASN H A 61 ASN HBx 1.0 . 3.45 623 581 A 62 LYS HBx A 61 ASN H 1.0 . 5.18 624 582 A 13 TRP H A 12 SER H 1.0 . 4.88 625 583 A 12 SER HBx A 12 SER H 1.0 . 4.08 626 584 A 12 SER H A 11 TYR HBx 1.0 . 4.92 627 585 A 12 SER H A 35 GLU HB2 1.0 . 5.16 628 585 A 35 GLU HB3 A 12 SER H 1.0 . 5.16 629 586 A 72 ILE H A 71 ASN H 1.0 . 4.63 630 587 A 71 ASN H A 70 ASP HA 1.0 . 2.63 631 588 A 70 ASP HBy A 71 ASN H 1.0 . 2.78 632 589 A 70 ASP HBx A 71 ASN H 1.0 . 3.90 633 590 A 61 ASN H A 62 LYS HA 1.0 . 5.50 634 591 A 46 ASP HBy A 50 THR H 1.0 . 5.16 635 592 A 46 ASP H A 50 THR H 1.0 . 5.47 636 593 A 87 TRP HE1 A 50 THR H 1.0 . 5.48 637 594 A 50 THR H A 51 SER H 1.0 . 3.66 638 595 A 50 THR H A 49 LYS HBy 1.0 . 3.89 639 596 A 50 THR H A 49 LYS HBx 1.0 . 4.05 640 597 A 50 THR H A 53 ILE HD1% 1.0 . 5.26 641 598 A 50 THR HG2% A 50 THR H 1.0 . 4.41 642 599 A 50 THR H A 44 ASP HBx 1.0 . 5.50 643 600 A 50 THR H A 49 LYS HGy 1.0 . 5.50 644 601 A 120 HIS H A 119 ASN H 1.0 . 3.22 645 602 A 121 LYS H A 120 HIS H 1.0 . 3.55 646 603 A 119 ASN HA A 120 HIS H 1.0 . 3.38 647 604 A 120 HIS H A 118 THR HB 1.0 . 5.12 648 605 A 120 HIS H A 120 HIS HBy 1.0 . 3.23 649 606 A 120 HIS H A 120 HIS HBx 1.0 . 3.49 650 607 A 76 ASN H A 74 TYR HA 1.0 . 4.38 651 608 A 76 ASN H A 76 ASN HBy 1.0 . 3.55 652 609 A 56 ASP HBy A 55 LEU H 1.0 . 5.03 653 610 A 55 LEU H A 53 ILE HG2% 1.0 . 5.50 654 611 A 22 GLU H A 19 LYS HA 1.0 . 4.11 655 612 A 22 GLU H A 22 GLU HGy 1.0 . 3.49 656 613 A 22 GLU H A 22 GLU HGx 1.0 . 3.27 657 614 A 22 GLU H A 22 GLU HBx 1.0 . 3.65 658 615 A 33 LEU HDx% A 22 GLU H 1.0 . 4.62 659 616 A 18 LYS HGx A 19 LYS H 1.0 . 4.74 660 617 A 17 THR H A 19 LYS H 1.0 . 5.35 661 618 A 21 ALA H A 19 LYS H 1.0 . 5.02 662 619 A 20 MET H A 19 LYS H 1.0 . 3.67 663 620 A 18 LYS H A 19 LYS H 1.0 . 3.73 664 621 A 19 LYS H A 19 LYS HBx 1.0 . 3.17 665 622 A 55 LEU H A 53 ILE HA 1.0 . 4.68 666 623 A 55 LEU H A 55 LEU HBy 1.0 . 3.11 667 624 A 54 ALA HB% A 55 LEU H 1.0 . 3.29 668 625 A 55 LEU H A 58 ILE HD1% 1.0 . 5.50 669 626 A 53 ILE HB A 55 LEU H 1.0 . 5.21 670 627 A 108 GLU H A 108 GLU HGy 1.0 . 3.89 671 628 A 108 GLU HBy A 108 GLU H 1.0 . 3.60 672 629 A 108 GLU H A 108 GLU HBx 1.0 . 4.06 673 630 A 76 ASN HBx A 77 TYR H 1.0 . 4.74 674 631 A 78 ASP H A 77 TYR H 1.0 . 5.17 675 632 A 77 TYR HD% A 77 TYR H 1.0 . 3.73 676 633 A 77 TYR H A 75 ASN HA 1.0 . 4.10 677 634 A 77 TYR HBx A 77 TYR H 1.0 . 3.52 678 635 A 76 ASN HBy A 77 TYR H 1.0 . 4.46 679 636 A 80 ILE HD1% A 77 TYR H 1.0 . 5.48 680 637 A 83 GLY H A 84 SER H 1.0 . 4.87 681 638 A 84 SER H A 113 PHE HA 1.0 . 3.60 682 639 A 84 SER H A 83 GLY HAy 1.0 . 3.22 683 640 A 84 SER H A 84 SER HBy 1.0 . 3.97 684 641 A 84 SER H A 84 SER HBx 1.0 . 4.18 685 642 A 86 VAL H A 114 THR H 1.0 . 4.61 686 643 A 87 TRP H A 86 VAL H 1.0 . 5.09 687 644 A 41 GLY HAy A 43 PHE H 1.0 . 4.56 688 645 A 41 GLY H A 43 PHE H 1.0 . 4.39 689 646 A 42 THR H A 43 PHE H 1.0 . 3.13 690 647 A 43 PHE HD% A 43 PHE H 1.0 . 4.14 691 648 A 42 THR HB A 43 PHE H 1.0 . 3.07 692 649 A 43 PHE HBx A 43 PHE H 1.0 . 3.55 693 650 A 38 VAL HGy% A 43 PHE H 1.0 . 4.59 694 651 A 53 ILE HD1% A 43 PHE H 1.0 . 4.88 695 652 A 42 THR HG2% A 43 PHE H 1.0 . 4.25 696 653 A 43 PHE H A 44 ASP HA 1.0 . 5.42 697 654 A 86 VAL H A 85 PRO HA 1.0 . 3.24 698 655 A 115 SER HBy A 86 VAL H 1.0 . 5.50 699 656 A 85 PRO HBy A 86 VAL H 1.0 . 4.44 700 657 A 86 VAL HB A 86 VAL H 1.0 . 3.44 701 658 A 86 VAL HGx% A 86 VAL H 1.0 . 4.67 702 659 A 105 TYR H A 103 LYS H 1.0 . 4.95 703 660 A 101 GLN H A 103 LYS H 1.0 . 4.83 704 661 A 102 MET H A 103 LYS H 1.0 . 3.44 705 662 A 103 LYS H A 103 LYS HBy 1.0 . 3.10 706 663 A 134 LEU HDy% A 103 LYS H 1.0 . 5.50 707 664 A 58 ILE HD1% A 59 GLN H 1.0 . 5.48 708 665 A 56 ASP H A 59 GLN H 1.0 . 5.27 709 666 A 59 GLN H A 56 ASP HA 1.0 . 4.24 710 667 A 55 LEU HA A 59 GLN H 1.0 . 4.64 711 668 A 59 GLN H A 59 GLN HGx 1.0 . 4.06 712 669 A 58 ILE HB A 59 GLN H 1.0 . 3.57 713 670 A 55 LEU HDy% A 59 GLN H 1.0 . 5.17 714 671 A 58 ILE HG2% A 59 GLN H 1.0 . 4.43 715 672 A 106 ARG H A 75 ASN HD2y 1.0 . 5.11 716 673 A 105 TYR HA A 75 ASN HD2y 1.0 . 4.58 717 674 A 75 ASN HD2y A 75 ASN HBx 1.0 . 3.61 718 675 A 146 VAL H A 144 SER H 1.0 . 4.89 719 676 A 142 ASP HBx A 144 SER H 1.0 . 4.32 720 677 A 143 ASP H A 144 SER H 1.0 . 3.54 721 678 A 145 GLU H A 144 SER H 1.0 . 3.56 722 679 A 144 SER HBy A 144 SER H 1.0 . 3.33 723 680 A 144 SER HBx A 144 SER H 1.0 . 3.10 724 681 A 144 SER H A 142 ASP HBy 1.0 . 4.08 725 682 A 144 SER H A 143 ASP HBx 1.0 . 5.19 726 683 A 140 ALA HB% A 144 SER H 1.0 . 5.32 727 684 A 145 GLU HGy A 144 SER H 1.0 . 5.50 728 685 A 51 SER H A 51 SER HB2 1.0 . 3.00 729 685 A 51 SER HB3 A 51 SER H 1.0 . 3.00 730 686 A 49 LYS H A 51 SER H 1.0 . 4.62 731 687 A 54 ALA HB% A 51 SER H 1.0 . 5.50 732 688 A 50 THR HG2% A 51 SER H 1.0 . 4.46 733 689 A 113 PHE H A 141 ARG H 1.0 . 5.25 734 690 A 114 THR HA A 115 SER H 1.0 . 2.96 735 691 A 115 SER HBx A 115 SER H 1.0 . 4.11 736 692 A 86 VAL HB A 115 SER H 1.0 . 5.22 737 693 A 131 ALA HB% A 133 GLY H 1.0 . 5.50 738 694 A 134 LEU H A 133 GLY H 1.0 . 3.30 739 695 A 132 ASP H A 133 GLY H 1.0 . 4.39 740 696 A 113 PHE H A 114 THR HG2% 1.0 . 5.50 741 697 A 113 PHE H A 142 ASP H 1.0 . 3.92 742 698 A 113 PHE H A 112 PHE HA 1.0 . 3.11 743 699 A 113 PHE H A 113 PHE HD% 1.0 . 4.10 744 700 A 113 PHE H A 112 PHE HBy 1.0 . 3.96 745 701 A 113 PHE H A 112 PHE HBx 1.0 . 4.23 746 702 A 113 PHE H A 141 ARG HA 1.0 . 3.64 747 703 A 102 MET H A 104 ASN H 1.0 . 5.50 748 704 A 105 TYR H A 104 ASN H 1.0 . 3.25 749 705 A 103 LYS H A 104 ASN H 1.0 . 3.52 750 706 A 103 LYS HA A 104 ASN H 1.0 . 3.36 751 707 A 104 ASN H A 104 ASN HBx 1.0 . 3.34 752 708 A 103 LYS HBy A 104 ASN H 1.0 . 3.89 753 709 A 134 LEU HDy% A 104 ASN H 1.0 . 5.25 754 710 A 129 GLU H A 128 ASN H 1.0 . 3.76 755 711 A 128 ASN H A 128 ASN HD2y 1.0 . 4.30 756 712 A 128 ASN H A 127 PHE HD% 1.0 . 4.04 757 713 A 128 ASN H A 128 ASN HBy 1.0 . 3.28 758 714 A 128 ASN H A 128 ASN HBx 1.0 . 3.68 759 715 A 128 ASN H A 127 PHE HBx 1.0 . 4.14 760 716 A 89 GLY H A 119 ASN HD2y 1.0 . 4.74 761 717 A 86 VAL HGx% A 119 ASN HD2y 1.0 . 5.23 762 718 A 88 SER HA A 119 ASN HD2x 1.0 . 4.79 763 719 A 118 THR HB A 119 ASN HD2x 1.0 . 5.15 764 720 A 119 ASN HD2x A 119 ASN HBy 1.0 . 3.97 765 721 A 119 ASN HD2y A 119 ASN HBy 1.0 . 3.59 766 722 A 119 ASN HD2y A 88 SER HA 1.0 . 4.29 767 723 A 89 GLY H A 119 ASN HD2x 1.0 . 5.13 768 724 A 125 SER H A 121 LYS HA 1.0 . 4.95 769 725 A 125 SER H A 124 VAL HGy% 1.0 . 4.48 770 726 A 125 SER H A 124 VAL HGx% 1.0 . 4.03 771 727 A 125 SER H A 125 SER HB2 1.0 . 3.04 772 727 A 125 SER HB3 A 125 SER H 1.0 . 3.04 773 728 A 125 SER H A 124 VAL HB 1.0 . 3.26 774 729 A 31 SER H A 29 LYS HE2 1.0 . 4.55 775 729 A 29 LYS HE3 A 31 SER H 1.0 . 4.55 776 730 A 66 GLU H A 67 ILE H 1.0 . 4.57 777 731 A 97 THR HB A 67 ILE H 1.0 . 5.35 778 732 A 30 ASP H A 31 SER H 1.0 . 3.35 779 733 A 29 LYS H A 31 SER H 1.0 . 5.01 780 734 A 32 GLU H A 31 SER H 1.0 . 4.54 781 735 A 25 ASN HD2y A 31 SER H 1.0 . 4.62 782 736 A 25 ASN HD2x A 31 SER H 1.0 . 4.68 783 737 A 29 LYS HA A 31 SER H 1.0 . 4.46 784 738 A 31 SER H A 31 SER HBy 1.0 . 3.43 785 739 A 31 SER HBx A 31 SER H 1.0 . 3.73 786 740 A 28 ILE HB A 31 SER H 1.0 . 4.57 787 741 A 68 GLN H A 67 ILE H 1.0 . 5.06 788 742 A 67 ILE H A 66 GLU HGy 1.0 . 5.11 789 743 A 56 ASP HA A 61 ASN HD2y 1.0 . 4.05 790 744 A 61 ASN H A 61 ASN HD2y 1.0 . 5.38 791 745 A 86 VAL HGx% A 118 THR H 1.0 . 5.50 792 746 A 120 HIS H A 118 THR H 1.0 . 5.44 793 747 A 116 ALA H A 118 THR H 1.0 . 4.18 794 748 A 115 SER HBy A 118 THR H 1.0 . 4.68 795 749 A 118 THR HB A 118 THR H 1.0 . 4.08 796 750 A 115 SER HBx A 118 THR H 1.0 . 4.62 797 751 A 118 THR H A 116 ALA HB% 1.0 . 4.88 798 752 A 118 THR H A 118 THR HG2% 1.0 . 3.66 799 753 A 9 LEU H A 10 TYR H 1.0 . 4.94 800 754 A 10 TYR H A 35 GLU HB2 1.0 . 4.48 801 754 A 35 GLU HB3 A 10 TYR H 1.0 . 4.48 802 755 A 9 LEU HBy A 10 TYR H 1.0 . 4.46 803 756 A 34 LYS H A 10 TYR H 1.0 . 4.79 804 757 A 36 VAL H A 10 TYR H 1.0 . 3.94 805 758 A 11 TYR H A 10 TYR H 1.0 . 5.32 806 759 A 11 TYR HA A 10 TYR H 1.0 . 5.33 807 760 A 10 TYR H A 35 GLU HA 1.0 . 3.72 808 761 A 10 TYR H A 9 LEU HBx 1.0 . 4.11 809 762 A 97 THR H A 94 PRO HA 1.0 . 4.65 810 763 A 97 THR HB A 97 THR H 1.0 . 3.49 811 764 A 96 LYS HBx A 97 THR H 1.0 . 4.13 812 765 A 119 ASN HA A 119 ASN H 1.0 . 2.85 813 766 A 119 ASN H A 118 THR HB 1.0 . 3.18 814 767 A 104 ASN H A 104 ASN HD2y 1.0 . 4.79 815 768 A 104 ASN HBx A 104 ASN HD2y 1.0 . 3.64 816 769 A 104 ASN HD2x A 104 ASN H 1.0 . 5.40 817 770 A 119 ASN H A 118 THR H 1.0 . 4.88 818 771 A 119 ASN H A 119 ASN HD2x 1.0 . 5.50 819 772 A 104 ASN HD2x A 104 ASN HA 1.0 . 5.23 820 773 A 72 ILE H A 71 ASN HD2x 1.0 . 4.82 821 774 A 71 ASN H A 71 ASN HD2y 1.0 . 5.13 822 775 A 72 ILE H A 71 ASN HD2y 1.0 . 4.03 823 776 A 71 ASN HD2y A 71 ASN HA 1.0 . 5.23 824 777 A 71 ASN HD2y A 71 ASN HBx 1.0 . 3.90 825 778 A 93 THR H A 94 PRO HDy 1.0 . 4.29 826 779 A 93 THR H A 94 PRO HDx 1.0 . 4.34 827 780 A 93 THR H A 91 PRO HBx 1.0 . 3.41 828 781 A 54 ALA HB% A 93 THR H 1.0 . 4.86 829 782 A 40 GLU H A 41 GLY H 1.0 . 4.65 830 783 A 41 GLY H A 40 GLU HA 1.0 . 2.72 831 784 A 41 GLY H A 40 GLU HB2 1.0 . 3.82 832 784 A 40 GLU HB3 A 41 GLY H 1.0 . 3.82 833 785 A 25 ASN HD2y A 25 ASN H 1.0 . 5.47 834 786 A 25 ASN HD2y A 31 SER HBy 1.0 . 5.20 835 787 A 25 ASN HD2y A 28 ILE HB 1.0 . 5.44 836 788 A 25 ASN HD2x A 32 GLU HA 1.0 . 5.35 837 789 A 31 SER HBx A 25 ASN HD2y 1.0 . 5.13 838 790 A 24 ILE H A 26 SER H 1.0 . 5.20 839 791 A 22 GLU HA A 26 SER H 1.0 . 4.66 840 792 A 8 ILE HD1% A 26 SER H 1.0 . 5.46 841 793 A 24 ILE HA A 26 SER H 1.0 . 5.01 842 794 A 25 ASN H A 26 SER H 1.0 . 3.57 843 795 A 25 ASN HD2y A 26 SER H 1.0 . 5.01 844 796 A 28 ILE H A 26 SER H 1.0 . 4.62 845 797 A 26 SER HBx A 26 SER H 1.0 . 3.13 846 798 A 25 ASN HBy A 26 SER H 1.0 . 3.63 847 799 A 25 ASN HBx A 26 SER H 1.0 . 4.23 848 800 A 76 ASN HD2x A 76 ASN H 1.0 . 5.50 849 801 A 73 ASP H A 76 ASN HD2y 1.0 . 4.94 850 802 A 76 ASN H A 76 ASN HD2y 1.0 . 4.83 851 803 A 73 ASP HBy A 76 ASN HD2y 1.0 . 4.06 852 804 A 76 ASN HBy A 76 ASN HD2y 1.0 . 3.66 853 805 A 76 ASN HD2x A 77 TYR HE% 1.0 . 4.63 854 806 A 38 VAL H A 11 TYR HE% 1.0 . 5.18 855 807 A 38 VAL H A 37 LYS HBy 1.0 . 3.41 856 808 A 38 VAL H A 37 LYS HBx 1.0 . 3.78 857 809 A 97 THR H A 95 ILE H 1.0 . 5.20 858 810 A 93 THR HB A 95 ILE H 1.0 . 5.39 859 811 A 96 LYS H A 95 ILE H 1.0 . 3.53 860 812 A 94 PRO HDy A 95 ILE H 1.0 . 4.78 861 813 A 95 ILE HB A 95 ILE H 1.0 . 3.45 862 814 A 94 PRO HDx A 95 ILE H 1.0 . 4.47 863 815 A 95 ILE HG1y A 95 ILE H 1.0 . 3.77 864 816 A 95 ILE H A 94 PRO HB2 1.0 . 4.12 865 816 A 95 ILE H A 94 PRO HB3 1.0 . 4.12 866 817 A 96 LYS HBx A 95 ILE H 1.0 . 5.37 867 818 A 111 SER H A 138 GLY H 1.0 . 4.88 868 819 A 17 THR H A 15 GLY H 1.0 . 4.58 869 820 A 16 GLU HGx A 15 GLY H 1.0 . 5.50 870 821 A 111 SER H A 111 SER HBy 1.0 . 3.88 871 822 A 111 SER H A 111 SER HBx 1.0 . 4.18 872 823 A 111 SER H A 139 VAL HGx% 1.0 . 4.85 873 824 A 16 GLU H A 15 GLY H 1.0 . 3.64 874 825 A 14 SER H A 15 GLY H 1.0 . 3.33 875 826 A 13 TRP H A 15 GLY H 1.0 . 4.31 876 827 A 109 VAL HB A 135 ASN HD2y 1.0 . 5.26 877 828 A 56 ASP HA A 59 GLN HE2y 1.0 . 5.12 878 829 A 55 LEU HBx A 59 GLN HE2y 1.0 . 5.20 879 830 A 58 ILE HG2% A 59 GLN HE2y 1.0 . 5.50 880 831 A 55 LEU HBx A 59 GLN HE2x 1.0 . 5.50 881 832 A 59 GLN HE2x A 55 LEU HG 1.0 . 5.50 882 833 A 135 ASN H A 135 ASN HD2y 1.0 . 5.23 883 834 A 135 ASN HD2y A 108 GLU HGx 1.0 . 4.67 884 835 A 128 ASN HD2y A 128 ASN HA 1.0 . 5.50 885 836 A 59 GLN H A 59 GLN HE2y 1.0 . 5.50 886 837 A 59 GLN HE2y A 55 LEU HG 1.0 . 5.50 887 838 A 55 LEU HDy% A 59 GLN HE2y 1.0 . 4.70 888 839 A 108 GLU HGx A 135 ASN HD2x 1.0 . 4.67 889 840 A 135 ASN HD2x A 137 ILE HG2% 1.0 . 4.93 890 841 A 39 SER H A 68 GLN HE2y 1.0 . 4.88 891 842 A 39 SER HA A 68 GLN HE2y 1.0 . 4.83 892 843 A 39 SER HBx A 68 GLN HE2y 1.0 . 4.67 893 844 A 68 GLN HE2y A 68 GLN HGx 1.0 . 3.82 894 844 A 68 GLN HGy A 68 GLN HE2y 1.0 . 3.82 895 845 A 68 GLN HE2y A 68 GLN HBx 1.0 . 5.14 896 846 A 128 ASN HA A 128 ASN HD2x 1.0 . 5.26 897 847 A 124 VAL HGx% A 128 ASN HD2x 1.0 . 4.87 898 848 A 39 SER HBx A 68 GLN HE2x 1.0 . 5.07 899 849 A 68 GLN HE2x A 68 GLN HBx 1.0 . 5.50 900 850 A 98 LEU HA A 101 GLN HE2y 1.0 . 5.50 901 851 A 101 GLN HE2y A 101 GLN HA 1.0 . 5.27 902 852 A 67 ILE H A 101 GLN HE2x 1.0 . 5.50 903 853 A 150 SER H A 151 LYS HG2 1.0 . 5.37 904 853 A 150 SER H A 151 LYS HG3 1.0 . 5.37 905 854 A 150 SER H A 148 LYS H 1.0 . 4.29 906 855 A 150 SER H A 150 SER HBy 1.0 . 3.57 907 856 A 150 SER H A 150 SER HBx 1.0 . 3.59 908 857 A 150 SER H A 149 TRP HBy 1.0 . 4.14 909 858 A 150 SER H A 149 TRP HBx 1.0 . 4.47 910 859 A 150 SER H A 148 LYS HB2 1.0 . 5.38 911 859 A 148 LYS HB3 A 150 SER H 1.0 . 5.38 912 860 A 76 ASN HD2x A 75 ASN H 1.0 . 5.10 913 861 A 76 ASN H A 75 ASN H 1.0 . 3.31 914 862 A 74 TYR H A 75 ASN H 1.0 . 3.53 915 863 A 75 ASN H A 73 ASP HA 1.0 . 4.50 916 864 A 75 ASN HBx A 75 ASN H 1.0 . 3.13 917 865 A 74 TYR HBx A 75 ASN H 1.0 . 3.92 918 866 A 75 ASN H A 72 ILE HG2% 1.0 . 5.50 919 867 A 149 TRP HE1 A 138 GLY H 1.0 . 5.50 920 868 A 138 GLY H A 136 VAL HGx% 1.0 . 3.41 921 869 A 138 GLY H A 137 ILE HG12 1.0 . 3.68 922 869 A 137 ILE HG13 A 138 GLY H 1.0 . 3.68 923 870 A 110 ALA HB% A 138 GLY H 1.0 . 4.50 924 871 A 137 ILE H A 138 GLY H 1.0 . 3.36 925 872 A 114 THR H A 115 SER H 1.0 . 5.00 926 873 A 84 SER H A 114 THR H 1.0 . 4.98 927 874 A 113 PHE HA A 114 THR H 1.0 . 3.18 928 875 A 114 THR H A 85 PRO HA 1.0 . 3.49 929 876 A 114 THR H A 113 PHE HBy 1.0 . 3.71 930 877 A 114 THR H A 113 PHE HBx 1.0 . 4.02 931 878 A 114 THR H A 17 THR HG2% 1.0 . 5.50 932 879 A 117 GLY H A 115 SER HBy 1.0 . 4.46 933 880 A 117 GLY H A 118 THR HG2% 1.0 . 5.50 934 881 A 117 GLY H A 115 SER HBx 1.0 . 4.27 935 882 A 60 GLY H A 59 GLN H 1.0 . 3.53 936 883 A 60 GLY H A 61 ASN H 1.0 . 3.34 937 884 A 60 GLY H A 58 ILE HA 1.0 . 5.06 938 885 A 58 ILE HG2% A 60 GLY H 1.0 . 5.50 939 886 A 57 GLN HBy A 57 GLN HE22 1.0 . 4.54 940 886 A 57 GLN HBy A 57 GLN HE21 1.0 . 4.54 941 887 A 65 PRO HBx A 57 GLN HE22 1.0 . 4.92 942 887 A 57 GLN HE21 A 65 PRO HBx 1.0 . 4.92 943 888 A 127 PHE H A 91 PRO HDy 1.0 . 4.98 944 889 A 90 TYR HD% A 91 PRO HDx 1.0 . 5.38 945 890 A 93 THR H A 91 PRO HDy 1.0 . 5.06 946 891 A 91 PRO HDy A 90 TYR HA 1.0 . 3.72 947 892 A 123 TYR HA A 91 PRO HDy 1.0 . 5.03 948 893 A 15 GLY HAy A 18 LYS HBy 1.0 . 4.59 949 894 A 18 LYS HBy A 15 GLY HAx 1.0 . 4.17 950 895 A 18 LYS HBx A 15 GLY HAx 1.0 . 4.81 951 896 A 50 THR H A 44 ASP HBy 1.0 . 5.00 952 897 A 46 ASP H A 44 ASP HBy 1.0 . 4.32 953 898 A 45 ALA H A 44 ASP HBy 1.0 . 4.48 954 899 A 46 ASP H A 44 ASP HBx 1.0 . 4.53 955 900 A 45 ALA H A 44 ASP HBx 1.0 . 4.20 956 901 A 45 ALA HB% A 44 ASP HBx 1.0 . 5.50 957 902 A 9 LEU HBy A 82 ILE HA 1.0 . 4.18 958 903 A 9 LEU H A 9 LEU HBx 1.0 . 4.19 959 904 A 9 LEU HBx A 82 ILE HA 1.0 . 5.22 960 905 A 118 THR HG2% A 117 GLY HAy 1.0 . 4.87 961 906 A 116 ALA H A 117 GLY HAy 1.0 . 5.11 962 907 A 34 LYS H A 33 LEU HBy 1.0 . 4.69 963 908 A 25 ASN HD2x A 33 LEU HBx 1.0 . 5.15 964 909 A 34 LYS H A 33 LEU HBx 1.0 . 4.63 965 910 A 33 LEU HBx A 25 ASN HBy 1.0 . 4.82 966 911 A 33 LEU HBx A 25 ASN HBx 1.0 . 4.61 967 912 A 33 LEU HBx A 33 LEU HDx% 1.0 . 3.50 968 913 A 138 GLY HAy A 137 ILE HG12 1.0 . 4.51 969 913 A 138 GLY HAy A 137 ILE HG13 1.0 . 4.51 970 914 A 138 GLY HAx A 149 TRP HZ2 1.0 . 4.81 971 915 A 33 LEU HBy A 25 ASN HBx 1.0 . 4.85 972 916 A 138 GLY HAy A 139 VAL HGy% 1.0 . 4.73 973 917 A 138 GLY HAy A 149 TRP HZ2 1.0 . 4.85 974 918 A 138 GLY HAy A 110 ALA HB% 1.0 . 5.05 975 919 A 149 TRP HE1 A 138 GLY HAx 1.0 . 4.06 976 920 A 138 GLY HAx A 137 ILE HG12 1.0 . 5.20 977 920 A 137 ILE HG13 A 138 GLY HAx 1.0 . 5.20 978 921 A 110 ALA HB% A 138 GLY HAx 1.0 . 5.50 979 922 A 119 ASN HD2y A 89 GLY HAy 1.0 . 4.60 980 923 A 62 LYS H A 60 GLY HA2 1.0 . 4.74 981 923 A 62 LYS H A 60 GLY HA3 1.0 . 4.74 982 924 A 89 GLY HAy A 119 ASN HBx 1.0 . 4.26 983 925 A 122 ALA HB% A 89 GLY HAy 1.0 . 3.84 984 926 A 86 VAL HGx% A 89 GLY HAy 1.0 . 5.22 985 927 A 59 GLN H A 60 GLY HA2 1.0 . 5.31 986 927 A 59 GLN H A 60 GLY HA3 1.0 . 5.31 987 928 A 88 SER HA A 89 GLY HAx 1.0 . 5.21 988 929 A 86 VAL HGx% A 89 GLY HAx 1.0 . 4.40 989 930 A 122 ALA HB% A 89 GLY HAx 1.0 . 4.03 990 931 A 69 LEU HBy A 36 VAL HA 1.0 . 4.28 991 932 A 69 LEU HBy A 67 ILE HG1x 1.0 . 4.74 992 932 A 69 LEU HBy A 67 ILE HG1y 1.0 . 4.74 993 933 A 69 LEU HBy A 69 LEU HDx% 1.0 . 3.33 994 934 A 69 LEU HBy A 67 ILE HD1% 1.0 . 4.38 995 935 A 69 LEU H A 69 LEU HBx 1.0 . 3.79 996 936 A 69 LEU HBx A 69 LEU HDx% 1.0 . 3.30 997 937 A 69 LEU HBx A 67 ILE HG1x 1.0 . 4.47 998 937 A 67 ILE HG1y A 69 LEU HBx 1.0 . 4.47 999 938 A 69 LEU HBx A 67 ILE HD1% 1.0 . 4.26 1000 939 A 108 GLU H A 107 GLY HAy 1.0 . 3.55 1001 940 A 41 GLY HAx A 40 GLU HG2 1.0 . 5.33 1002 940 A 40 GLU HG3 A 41 GLY HAx 1.0 . 5.33 1003 941 A 107 GLY HAx A 108 GLU H 1.0 . 3.37 1004 942 A 80 ILE H A 79 LEU HBy 1.0 . 4.97 1005 943 A 79 LEU HDy% A 79 LEU HBy 1.0 . 3.91 1006 944 A 79 LEU HDy% A 79 LEU HBx 1.0 . 3.99 1007 945 A 78 ASP HBx A 79 LEU HBx 1.0 . 5.17 1008 946 A 141 ARG H A 141 ARG HDy 1.0 . 3.98 1009 947 A 141 ARG HDy A 141 ARG HBy 1.0 . 4.08 1010 948 A 141 ARG H A 141 ARG HDx 1.0 . 3.91 1011 949 A 141 ARG HBx A 141 ARG HDx 1.0 . 4.14 1012 950 A 81 LEU H A 81 LEU HBy 1.0 . 3.71 1013 951 A 8 ILE HA A 81 LEU HBy 1.0 . 3.95 1014 952 A 8 ILE HG2% A 81 LEU HBy 1.0 . 4.30 1015 953 A 82 ILE HA A 81 LEU HBx 1.0 . 4.35 1016 954 A 82 ILE H A 81 LEU HBx 1.0 . 4.39 1017 955 A 8 ILE HG2% A 81 LEU HBx 1.0 . 4.42 1018 956 A 81 LEU HBx A 81 LEU HD1% 1.0 . 3.65 1019 956 A 81 LEU HD2% A 81 LEU HBx 1.0 . 3.65 1020 957 A 46 ASP HBy A 46 ASP H 1.0 . 3.47 1021 958 A 47 MET H A 46 ASP HBx 1.0 . 4.49 1022 959 A 46 ASP H A 46 ASP HBx 1.0 . 3.41 1023 960 A 49 LYS H A 46 ASP HBx 1.0 . 4.31 1024 961 A 49 LYS HBy A 46 ASP HBx 1.0 . 4.11 1025 962 A 78 ASP HBy A 5 LYS HB2 1.0 . 4.62 1026 962 A 5 LYS HB3 A 78 ASP HBy 1.0 . 4.62 1027 963 A 78 ASP HBy A 4 LYS HBy 1.0 . 4.39 1028 964 A 5 LYS H A 78 ASP HBy 1.0 . 3.74 1029 965 A 78 ASP H A 78 ASP HBy 1.0 . 3.95 1030 966 A 79 LEU H A 78 ASP HBy 1.0 . 4.13 1031 967 A 78 ASP HBy A 4 LYS HBx 1.0 . 4.53 1032 968 A 4 LYS HA A 78 ASP HBy 1.0 . 4.19 1033 969 A 78 ASP HBx A 4 LYS HA 1.0 . 4.29 1034 970 A 78 ASP HBx A 4 LYS HBx 1.0 . 4.13 1035 971 A 8 ILE H A 7 LEU HBy 1.0 . 4.83 1036 972 A 7 LEU HBy A 80 ILE HD1% 1.0 . 5.50 1037 973 A 7 LEU HBx A 9 LEU HD1% 1.0 . 4.61 1038 973 A 7 LEU HBx A 9 LEU HDy% 1.0 . 4.61 1039 974 A 10 TYR HA A 83 GLY HAy 1.0 . 4.78 1040 975 A 10 TYR HBy A 83 GLY HAy 1.0 . 5.12 1041 976 A 10 TYR HA A 83 GLY HAx 1.0 . 4.33 1042 977 A 83 GLY HAy A 10 TYR HD% 1.0 . 4.79 1043 978 A 112 PHE H A 83 GLY HAy 1.0 . 4.21 1044 979 A 83 GLY HAy A 112 PHE HBx 1.0 . 4.85 1045 980 A 11 TYR HBy A 36 VAL HB 1.0 . 4.08 1046 981 A 11 TYR HBx A 84 SER HA 1.0 . 5.20 1047 982 A 11 TYR HBx A 36 VAL HB 1.0 . 4.50 1048 983 A 82 ILE HA A 83 GLY HAx 1.0 . 4.82 1049 984 A 83 GLY HAx A 10 TYR HD% 1.0 . 4.47 1050 985 A 135 ASN HBy A 134 LEU HBx 1.0 . 4.97 1051 986 A 134 LEU HDy% A 134 LEU HBx 1.0 . 3.96 1052 987 A 106 ARG HA A 106 ARG HDy 1.0 . 4.25 1053 988 A 106 ARG H A 106 ARG HDy 1.0 . 5.27 1054 989 A 106 ARG HDy A 106 ARG HBy 1.0 . 4.03 1055 990 A 106 ARG HBy A 106 ARG HDx 1.0 . 4.02 1056 991 A 82 ILE HG2% A 83 GLY HAx 1.0 . 4.20 1057 992 A 134 LEU HBx A 134 LEU HDx% 1.0 . 4.24 1058 993 A 112 PHE HBy A 24 ILE HD1% 1.0 . 5.17 1059 994 A 24 ILE HD1% A 112 PHE HBx 1.0 . 5.29 1060 995 A 145 GLU HBx A 148 LYS HE2 1.0 . 4.46 1061 995 A 148 LYS HE3 A 145 GLU HBx 1.0 . 4.46 1062 996 A 70 ASP HBx A 34 LYS HEy 1.0 . 5.31 1063 997 A 34 LYS HGy A 34 LYS HEy 1.0 . 3.59 1064 998 A 34 LYS HEy A 9 LEU HD1% 1.0 . 4.75 1065 998 A 9 LEU HDy% A 34 LYS HEy 1.0 . 4.75 1066 999 A 34 LYS HEy A 72 ILE HD1% 1.0 . 4.73 1067 1000 A 98 LEU HBy A 98 LEU HD1% 1.0 . 3.69 1068 1000 A 98 LEU HBy A 98 LEU HD2% 1.0 . 3.69 1069 1001 A 98 LEU HBx A 98 LEU HD1% 1.0 . 3.63 1070 1001 A 98 LEU HBx A 98 LEU HD2% 1.0 . 3.63 1071 1002 A 37 LYS HE3 A 37 LYS HG2 1.0 . 3.01 1072 1002 A 37 LYS HE2 A 37 LYS HG2 1.0 . 3.01 1073 1002 A 37 LYS HG3 A 37 LYS HE2 1.0 . 3.01 1074 1002 A 37 LYS HG3 A 37 LYS HE3 1.0 . 3.01 1075 1003 A 145 GLU HA A 148 LYS HE2 1.0 . 5.50 1076 1003 A 148 LYS HE3 A 145 GLU HA 1.0 . 5.50 1077 1004 A 100 ASP HA A 103 LYS HEx 1.0 . 4.29 1078 1005 A 5 LYS H A 4 LYS HE2 1.0 . 5.15 1079 1005 A 5 LYS H A 4 LYS HE3 1.0 . 5.15 1080 1006 A 19 LYS H A 18 LYS HE2 1.0 . 4.42 1081 1006 A 19 LYS H A 18 LYS HE3 1.0 . 4.42 1082 1007 A 129 GLU HA A 132 ASP HBy 1.0 . 3.49 1083 1008 A 131 ALA H A 132 ASP HBy 1.0 . 4.82 1084 1009 A 133 GLY H A 132 ASP HBx 1.0 . 4.22 1085 1010 A 132 ASP H A 132 ASP HBx 1.0 . 3.29 1086 1011 A 64 PHE HD% A 96 LYS HEy 1.0 . 5.28 1087 1012 A 96 LYS HEy A 96 LYS HGx 1.0 . 4.16 1088 1013 A 130 TRP HA A 96 LYS HEx 1.0 . 4.89 1089 1014 A 96 LYS HGx A 96 LYS HEx 1.0 . 4.19 1090 1015 A 64 PHE HD% A 96 LYS HEx 1.0 . 5.14 1091 1016 A 132 ASP HBy A 133 GLY H 1.0 . 4.52 1092 1017 A 23 LYS HA A 23 LYS HE2 1.0 . 4.91 1093 1017 A 23 LYS HA A 23 LYS HE3 1.0 . 4.91 1094 1018 A 34 LYS HGx A 34 LYS HEx 1.0 . 3.18 1095 1019 A 131 ALA H A 132 ASP HBx 1.0 . 4.65 1096 1020 A 130 TRP HA A 96 LYS HEy 1.0 . 4.93 1097 1021 A 36 VAL HA A 67 ILE HB 1.0 . 5.13 1098 1022 A 86 VAL HGy% A 113 PHE HBx 1.0 . 4.36 1099 1023 A 99 LEU H A 99 LEU HBy 1.0 . 3.82 1100 1024 A 99 LEU HBx A 96 LYS HA 1.0 . 5.26 1101 1025 A 86 VAL H A 113 PHE HBx 1.0 . 4.60 1102 1026 A 73 ASP H A 72 ILE HB 1.0 . 4.18 1103 1027 A 72 ILE H A 72 ILE HB 1.0 . 3.21 1104 1028 A 74 TYR HE% A 72 ILE HB 1.0 . 4.43 1105 1029 A 11 TYR H A 10 TYR HBx 1.0 . 4.33 1106 1030 A 10 TYR HBx A 21 ALA HB% 1.0 . 4.22 1107 1031 A 63 ASP HBx A 64 PHE H 1.0 . 3.85 1108 1032 A 63 ASP H A 63 ASP HBy 1.0 . 3.50 1109 1033 A 64 PHE H A 63 ASP HBy 1.0 . 3.71 1110 1034 A 11 TYR H A 10 TYR HBy 1.0 . 4.36 1111 1035 A 56 ASP H A 55 LEU HBy 1.0 . 3.89 1112 1036 A 55 LEU HDy% A 55 LEU HBy 1.0 . 3.58 1113 1037 A 55 LEU H A 55 LEU HBx 1.0 . 3.33 1114 1038 A 56 ASP HBy A 55 LEU HBx 1.0 . 4.53 1115 1039 A 55 LEU HBx A 55 LEU HDy% 1.0 . 3.42 1116 1040 A 56 ASP HBy A 62 LYS HBy 1.0 . 5.11 1117 1041 A 56 ASP HBy A 57 GLN H 1.0 . 3.96 1118 1042 A 53 ILE HA A 56 ASP HBx 1.0 . 4.22 1119 1043 A 56 ASP H A 56 ASP HBx 1.0 . 3.43 1120 1044 A 57 GLN H A 56 ASP HBx 1.0 . 4.15 1121 1045 A 8 ILE HD1% A 25 ASN HBx 1.0 . 3.70 1122 1046 A 80 ILE HB A 77 TYR HBx 1.0 . 5.50 1123 1047 A 52 ASP HBy A 53 ILE HG1x 1.0 . 5.06 1124 1048 A 111 SER HBx A 82 ILE HB 1.0 . 4.50 1125 1049 A 80 ILE HB A 80 ILE H 1.0 . 3.61 1126 1050 A 80 ILE HB A 109 VAL HA 1.0 . 4.29 1127 1051 A 49 LYS HA A 52 ASP HBy 1.0 . 3.95 1128 1052 A 53 ILE H A 52 ASP HBx 1.0 . 3.72 1129 1053 A 52 ASP H A 52 ASP HBx 1.0 . 3.35 1130 1054 A 49 LYS HA A 52 ASP HBx 1.0 . 3.80 1131 1055 A 80 ILE HG2% A 82 ILE HB 1.0 . 5.50 1132 1056 A 81 LEU HA A 82 ILE HB 1.0 . 4.54 1133 1057 A 82 ILE HB A 95 ILE HG2% 1.0 . 5.50 1134 1058 A 43 PHE HBy A 53 ILE HD1% 1.0 . 5.06 1135 1059 A 43 PHE HBy A 50 THR HG2% 1.0 . 4.70 1136 1060 A 91 PRO HDx A 90 TYR HBx 1.0 . 4.71 1137 1061 A 101 GLN H A 100 ASP HBx 1.0 . 4.10 1138 1062 A 53 ILE HD1% A 43 PHE HBx 1.0 . 5.30 1139 1063 A 87 TRP HE1 A 43 PHE HBx 1.0 . 4.90 1140 1064 A 90 TYR HBy A 91 PRO HDx 1.0 . 4.53 1141 1065 A 100 ASP H A 100 ASP HBx 1.0 . 3.48 1142 1066 A 97 THR HA A 100 ASP HBx 1.0 . 3.87 1143 1067 A 147 ASP H A 147 ASP HB2 1.0 . 2.74 1144 1067 A 147 ASP H A 147 ASP HB3 1.0 . 2.74 1145 1068 A 149 TRP H A 147 ASP HB2 1.0 . 4.90 1146 1068 A 149 TRP H A 147 ASP HB3 1.0 . 4.90 1147 1069 A 148 LYS H A 147 ASP HB2 1.0 . 3.28 1148 1069 A 148 LYS H A 147 ASP HB3 1.0 . 3.28 1149 1070 A 147 ASP HA A 147 ASP HB2 1.0 . 2.68 1150 1070 A 147 ASP HB3 A 147 ASP HA 1.0 . 2.68 1151 1071 A 147 ASP HB2 A 148 LYS HB2 1.0 . 4.57 1152 1071 A 147 ASP HB3 A 148 LYS HB2 1.0 . 4.57 1153 1071 A 148 LYS HB3 A 147 ASP HB2 1.0 . 4.57 1154 1071 A 148 LYS HB3 A 147 ASP HB3 1.0 . 4.57 1155 1072 A 146 VAL H A 147 ASP HB2 1.0 . 4.68 1156 1072 A 146 VAL H A 147 ASP HB3 1.0 . 4.68 1157 1073 A 77 TYR HBy A 80 ILE HG12 1.0 . 4.57 1158 1073 A 77 TYR HBy A 80 ILE HG13 1.0 . 4.57 1159 1074 A 77 TYR HBy A 80 ILE HD1% 1.0 . 4.90 1160 1075 A 77 TYR HBy A 77 TYR H 1.0 . 3.91 1161 1076 A 77 TYR HBy A 6 THR HA 1.0 . 4.86 1162 1077 A 77 TYR HBy A 5 LYS HB2 1.0 . 5.17 1163 1077 A 77 TYR HBy A 5 LYS HB3 1.0 . 5.17 1164 1078 A 77 TYR HBx A 80 ILE HG12 1.0 . 5.15 1165 1078 A 80 ILE HG13 A 77 TYR HBx 1.0 . 5.15 1166 1079 A 77 TYR HBx A 80 ILE HD1% 1.0 . 4.75 1167 1080 A 76 ASN HD2x A 73 ASP HBy 1.0 . 4.05 1168 1081 A 73 ASP HBx A 76 ASN HD2y 1.0 . 4.78 1169 1082 A 8 ILE HB A 7 LEU HA 1.0 . 4.68 1170 1083 A 8 ILE HB A 33 LEU H 1.0 . 4.99 1171 1084 A 8 ILE HB A 8 ILE HD1% 1.0 . 3.26 1172 1085 A 30 ASP H A 30 ASP HB2 1.0 . 3.95 1173 1085 A 30 ASP H A 30 ASP HB3 1.0 . 3.95 1174 1086 A 76 ASN HD2x A 73 ASP HBx 1.0 . 4.42 1175 1087 A 143 ASP H A 142 ASP HBy 1.0 . 3.17 1176 1088 A 142 ASP HBy A 20 MET HE% 1.0 . 4.58 1177 1089 A 50 THR HG2% A 53 ILE HB 1.0 . 5.45 1178 1090 A 61 ASN HBy A 61 ASN HD2y 1.0 . 3.71 1179 1091 A 62 LYS HGx A 61 ASN HBy 1.0 . 4.85 1180 1092 A 62 LYS HGx A 61 ASN HBx 1.0 . 4.60 1181 1093 A 62 LYS HBx A 61 ASN HBx 1.0 . 4.91 1182 1094 A 24 ILE HG1x A 143 ASP HBy 1.0 . 4.52 1183 1095 A 24 ILE HD1% A 143 ASP HBy 1.0 . 4.67 1184 1096 A 146 VAL HGy% A 143 ASP HBy 1.0 . 4.10 1185 1097 A 24 ILE HG1y A 143 ASP HBy 1.0 . 4.96 1186 1098 A 62 LYS H A 61 ASN HBy 1.0 . 4.66 1187 1099 A 61 ASN HBx A 61 ASN HD2y 1.0 . 3.61 1188 1100 A 62 LYS H A 61 ASN HBx 1.0 . 4.13 1189 1101 A 24 ILE HG1y A 143 ASP HBx 1.0 . 4.57 1190 1102 A 24 ILE HG1x A 143 ASP HBx 1.0 . 4.23 1191 1103 A 24 ILE HD1% A 143 ASP HBx 1.0 . 4.67 1192 1104 A 128 ASN HBy A 125 SER HA 1.0 . 3.47 1193 1105 A 124 VAL HGx% A 128 ASN HBy 1.0 . 5.23 1194 1106 A 129 GLU H A 128 ASN HBy 1.0 . 4.24 1195 1107 A 61 ASN HBy A 62 LYS HGy 1.0 . 5.20 1196 1108 A 129 GLU H A 128 ASN HBx 1.0 . 4.19 1197 1109 A 127 PHE HBx A 139 VAL HGx% 1.0 . 5.50 1198 1110 A 138 GLY H A 137 ILE HB 1.0 . 4.73 1199 1111 A 137 ILE HD1% A 137 ILE HB 1.0 . 3.09 1200 1112 A 110 ALA HB% A 137 ILE HB 1.0 . 5.50 1201 1113 A 58 ILE HB A 57 GLN H 1.0 . 5.02 1202 1114 A 105 TYR HBy A 104 ASN H 1.0 . 4.99 1203 1115 A 104 ASN HD2x A 104 ASN HBx 1.0 . 3.98 1204 1116 A 105 TYR H A 105 TYR HBx 1.0 . 3.60 1205 1117 A 105 TYR HBx A 134 LEU HDy% 1.0 . 4.56 1206 1118 A 55 LEU HA A 58 ILE HB 1.0 . 3.49 1207 1119 A 104 ASN H A 104 ASN HBy 1.0 . 3.62 1208 1120 A 28 ILE HB A 31 SER HBy 1.0 . 3.95 1209 1121 A 28 ILE HB A 28 ILE HD1% 1.0 . 3.68 1210 1122 A 76 ASN H A 75 ASN HBy 1.0 . 5.13 1211 1123 A 76 ASN H A 76 ASN HBx 1.0 . 3.17 1212 1124 A 76 ASN HD2x A 76 ASN HBx 1.0 . 4.05 1213 1125 A 76 ASN HBx A 75 ASN H 1.0 . 5.01 1214 1126 A 76 ASN HBx A 76 ASN HD2y 1.0 . 3.83 1215 1127 A 25 ASN HD2x A 28 ILE HB 1.0 . 5.38 1216 1128 A 75 ASN H A 75 ASN HBy 1.0 . 3.22 1217 1129 A 71 ASN H A 71 ASN HBy 1.0 . 3.08 1218 1130 A 71 ASN H A 71 ASN HBx 1.0 . 3.06 1219 1131 A 72 ILE H A 71 ASN HBx 1.0 . 4.01 1220 1132 A 64 PHE HBy A 65 PRO HDx 1.0 . 4.86 1221 1133 A 74 TYR HBy A 80 ILE HD1% 1.0 . 4.20 1222 1134 A 74 TYR HBx A 80 ILE HD1% 1.0 . 4.52 1223 1135 A 57 GLN HGy A 62 LYS HBy 1.0 . 4.95 1224 1136 A 62 LYS H A 62 LYS HBy 1.0 . 4.12 1225 1137 A 62 LYS HBy A 57 GLN HE22 1.0 . 5.38 1226 1137 A 57 GLN HE21 A 62 LYS HBy 1.0 . 5.38 1227 1138 A 62 LYS HBy A 57 GLN HA 1.0 . 4.55 1228 1139 A 57 GLN HGx A 62 LYS HBy 1.0 . 4.43 1229 1140 A 56 ASP HBy A 62 LYS HBx 1.0 . 4.38 1230 1141 A 57 GLN HGx A 62 LYS HBx 1.0 . 4.33 1231 1142 A 123 TYR H A 123 TYR HBx 1.0 . 3.83 1232 1143 A 120 HIS HA A 123 TYR HBx 1.0 . 4.97 1233 1144 A 108 GLU HGy A 135 ASN HD2x 1.0 . 5.04 1234 1145 A 86 VAL HGx% A 123 TYR HBx 1.0 . 3.88 1235 1146 A 109 VAL H A 108 GLU HGy 1.0 . 5.12 1236 1147 A 108 GLU HGy A 135 ASN HD2y 1.0 . 4.96 1237 1148 A 108 GLU HA A 108 GLU HGy 1.0 . 4.02 1238 1149 A 108 GLU HGy A 137 ILE HG2% 1.0 . 4.50 1239 1150 A 109 VAL H A 108 GLU HGx 1.0 . 5.00 1240 1151 A 108 GLU H A 108 GLU HGx 1.0 . 4.43 1241 1152 A 108 GLU HA A 108 GLU HGx 1.0 . 4.10 1242 1153 A 108 GLU HGx A 137 ILE HG2% 1.0 . 4.09 1243 1154 A 22 GLU HA A 22 GLU HGx 1.0 . 3.83 1244 1155 A 145 GLU HGy A 148 LYS HE2 1.0 . 5.48 1245 1155 A 148 LYS HE3 A 145 GLU HGy 1.0 . 5.48 1246 1156 A 145 GLU HGx A 148 LYS HE2 1.0 . 5.50 1247 1156 A 148 LYS HE3 A 145 GLU HGx 1.0 . 5.50 1248 1157 A 32 GLU HGy A 7 LEU HD1% 1.0 . 4.63 1249 1157 A 7 LEU HD2% A 32 GLU HGy 1.0 . 4.63 1250 1158 A 33 LEU H A 32 GLU HGy 1.0 . 4.38 1251 1159 A 32 GLU HA A 32 GLU HGy 1.0 . 3.68 1252 1160 A 144 SER HBx A 145 GLU HGy 1.0 . 5.13 1253 1161 A 145 GLU HGy A 145 GLU HA 1.0 . 3.47 1254 1162 A 145 GLU H A 145 GLU HGx 1.0 . 4.43 1255 1163 A 149 TRP HZ2 A 145 GLU HGx 1.0 . 5.15 1256 1164 A 34 LYS HBy A 9 LEU HD1% 1.0 . 4.00 1257 1164 A 34 LYS HBy A 9 LEU HDy% 1.0 . 4.00 1258 1165 A 34 LYS HBy A 35 GLU H 1.0 . 3.61 1259 1166 A 34 LYS HBy A 7 LEU HD1% 1.0 . 4.50 1260 1166 A 7 LEU HD2% A 34 LYS HBy 1.0 . 4.50 1261 1167 A 34 LYS HBx A 9 LEU HD1% 1.0 . 4.26 1262 1167 A 34 LYS HBx A 9 LEU HDy% 1.0 . 4.26 1263 1168 A 34 LYS HBx A 7 LEU HD1% 1.0 . 5.28 1264 1168 A 7 LEU HD2% A 34 LYS HBx 1.0 . 5.28 1265 1169 A 34 LYS HBx A 35 GLU H 1.0 . 4.36 1266 1170 A 120 HIS H A 119 ASN HBy 1.0 . 5.01 1267 1171 A 66 GLU H A 66 GLU HGy 1.0 . 3.61 1268 1172 A 66 GLU H A 66 GLU HGx 1.0 . 3.65 1269 1173 A 67 ILE H A 66 GLU HGx 1.0 . 4.29 1270 1174 A 97 THR HG2% A 66 GLU HGx 1.0 . 5.27 1271 1175 A 36 VAL H A 35 GLU HG2 1.0 . 3.89 1272 1175 A 36 VAL H A 35 GLU HG3 1.0 . 3.89 1273 1176 A 35 GLU HA A 35 GLU HG2 1.0 . 3.67 1274 1176 A 35 GLU HA A 35 GLU HG3 1.0 . 3.67 1275 1177 A 119 ASN HBy A 89 GLY HAx 1.0 . 4.32 1276 1178 A 119 ASN HBy A 89 GLY HAy 1.0 . 5.43 1277 1179 A 89 GLY H A 119 ASN HBy 1.0 . 4.41 1278 1180 A 49 LYS HA A 48 TYR HBy 1.0 . 5.10 1279 1181 A 120 HIS H A 119 ASN HBx 1.0 . 4.98 1280 1182 A 119 ASN HD2y A 119 ASN HBx 1.0 . 4.05 1281 1183 A 86 VAL HGx% A 119 ASN HBx 1.0 . 4.45 1282 1184 A 119 ASN HBx A 89 GLY HAx 1.0 . 4.00 1283 1185 A 89 GLY H A 119 ASN HBx 1.0 . 4.40 1284 1186 A 135 ASN HBy A 135 ASN HD2y 1.0 . 3.75 1285 1187 A 49 LYS H A 48 TYR HBy 1.0 . 3.97 1286 1188 A 48 TYR H A 48 TYR HBy 1.0 . 3.57 1287 1189 A 49 LYS H A 48 TYR HBx 1.0 . 4.11 1288 1190 A 135 ASN HD2y A 135 ASN HBx 1.0 . 3.84 1289 1191 A 135 ASN H A 135 ASN HBx 1.0 . 3.59 1290 1192 A 136 VAL H A 135 ASN HBx 1.0 . 4.46 1291 1193 A 16 GLU H A 16 GLU HGy 1.0 . 4.06 1292 1194 A 17 THR H A 16 GLU HGy 1.0 . 4.86 1293 1195 A 130 TRP H A 129 GLU HGy 1.0 . 5.10 1294 1196 A 40 GLU H A 40 GLU HG2 1.0 . 3.60 1295 1196 A 40 GLU H A 40 GLU HG3 1.0 . 3.60 1296 1197 A 41 GLY H A 40 GLU HG2 1.0 . 3.95 1297 1197 A 41 GLY H A 40 GLU HG3 1.0 . 3.95 1298 1198 A 40 GLU HA A 40 GLU HG2 1.0 . 3.28 1299 1198 A 40 GLU HA A 40 GLU HG3 1.0 . 3.28 1300 1199 A 40 GLU HB3 A 40 GLU HG2 1.0 . 2.69 1301 1199 A 40 GLU HB2 A 40 GLU HG2 1.0 . 2.69 1302 1199 A 40 GLU HG3 A 40 GLU HB2 1.0 . 2.69 1303 1199 A 40 GLU HB3 A 40 GLU HG3 1.0 . 2.69 1304 1200 A 129 GLU HA A 129 GLU HGx 1.0 . 3.60 1305 1201 A 129 GLU H A 129 GLU HGx 1.0 . 3.83 1306 1202 A 139 VAL HB A 124 VAL HA 1.0 . 4.48 1307 1203 A 110 ALA H A 109 VAL HB 1.0 . 4.77 1308 1204 A 109 VAL HB A 136 VAL HA 1.0 . 3.27 1309 1205 A 42 THR HB A 38 VAL HB 1.0 . 4.53 1310 1206 A 59 GLN H A 59 GLN HGy 1.0 . 3.69 1311 1207 A 58 ILE HB A 59 GLN HGy 1.0 . 4.73 1312 1208 A 55 LEU HDy% A 59 GLN HGy 1.0 . 4.71 1313 1209 A 58 ILE HB A 59 GLN HGx 1.0 . 5.06 1314 1210 A 96 LYS H A 95 ILE HB 1.0 . 4.12 1315 1211 A 127 PHE HD% A 95 ILE HB 1.0 . 3.78 1316 1212 A 60 GLY H A 59 GLN HGy 1.0 . 5.18 1317 1213 A 101 GLN HGy A 101 GLN HE2y 1.0 . 3.83 1318 1214 A 101 GLN HGy A 101 GLN HA 1.0 . 3.68 1319 1215 A 101 GLN HGx A 101 GLN HE2y 1.0 . 3.88 1320 1216 A 101 GLN HGx A 101 GLN HA 1.0 . 3.62 1321 1217 A 101 GLN HGx A 67 ILE HD1% 1.0 . 5.26 1322 1218 A 101 GLN HGx A 98 LEU HA 1.0 . 4.98 1323 1219 A 97 THR HG2% A 101 GLN HGx 1.0 . 5.27 1324 1220 A 101 GLN HGx A 98 LEU HD1% 1.0 . 5.50 1325 1220 A 98 LEU HD2% A 101 GLN HGx 1.0 . 5.50 1326 1221 A 5 LYS H A 4 LYS HBy 1.0 . 4.57 1327 1222 A 4 LYS H A 4 LYS HBy 1.0 . 3.55 1328 1223 A 4 LYS HBy A 4 LYS HE2 1.0 . 5.03 1329 1223 A 4 LYS HBy A 4 LYS HE3 1.0 . 5.03 1330 1224 A 5 LYS H A 4 LYS HBx 1.0 . 4.53 1331 1225 A 151 LYS H A 151 LYS HBy 1.0 . 3.89 1332 1226 A 151 LYS HBy A 148 LYS HA 1.0 . 4.84 1333 1227 A 99 LEU HA A 102 MET HBy 1.0 . 4.69 1334 1228 A 134 LEU HDx% A 102 MET HBy 1.0 . 4.83 1335 1229 A 102 MET H A 102 MET HBy 1.0 . 4.01 1336 1230 A 151 LYS HBx A 148 LYS HA 1.0 . 4.87 1337 1231 A 102 MET HBx A 98 LEU HD1% 1.0 . 4.85 1338 1231 A 98 LEU HD2% A 102 MET HBx 1.0 . 4.85 1339 1232 A 68 GLN HGy A 67 ILE HA 1.0 . 4.96 1340 1233 A 68 GLN HGy A 38 VAL HA 1.0 . 5.03 1341 1234 A 69 LEU H A 68 GLN HGx 1.0 . 4.93 1342 1235 A 67 ILE HA A 68 GLN HGx 1.0 . 5.11 1343 1236 A 8 ILE H A 32 GLU HBy 1.0 . 4.97 1344 1237 A 32 GLU H A 32 GLU HBy 1.0 . 3.55 1345 1238 A 33 LEU H A 32 GLU HBy 1.0 . 3.83 1346 1239 A 32 GLU HBy A 7 LEU HD1% 1.0 . 3.77 1347 1239 A 7 LEU HD2% A 32 GLU HBy 1.0 . 3.77 1348 1240 A 8 ILE H A 32 GLU HBx 1.0 . 5.03 1349 1241 A 7 LEU HBx A 32 GLU HBx 1.0 . 4.94 1350 1242 A 68 GLN HGy A 68 GLN HE2y 1.0 . 4.09 1351 1243 A 68 GLN H A 68 GLN HGy 1.0 . 3.90 1352 1244 A 68 GLN H A 68 GLN HGx 1.0 . 3.98 1353 1245 A 68 GLN HA A 68 GLN HGx 1.0 . 3.48 1354 1246 A 85 PRO HBy A 11 TYR HDx 1.0 . 4.97 1355 1247 A 86 VAL HGy% A 85 PRO HBx 1.0 . 5.50 1356 1248 A 109 VAL H A 108 GLU HBy 1.0 . 4.64 1357 1249 A 108 GLU HBy A 137 ILE HG2% 1.0 . 4.81 1358 1250 A 79 LEU HA A 108 GLU HBx 1.0 . 4.67 1359 1251 A 108 GLU HBx A 137 ILE HG12 1.0 . 3.52 1360 1251 A 137 ILE HG13 A 108 GLU HBx 1.0 . 3.52 1361 1252 A 86 VAL H A 85 PRO HBx 1.0 . 4.39 1362 1253 A 13 TRP HE1 A 85 PRO HBx 1.0 . 4.76 1363 1254 A 27 GLU HGy A 27 GLU HA 1.0 . 4.06 1364 1255 A 24 ILE HA A 27 GLU HGy 1.0 . 4.56 1365 1256 A 57 GLN HGy A 62 LYS HBx 1.0 . 5.04 1366 1257 A 56 ASP HBy A 57 GLN HGy 1.0 . 5.09 1367 1258 A 27 GLU H A 27 GLU HGx 1.0 . 4.11 1368 1259 A 27 GLU HA A 27 GLU HGx 1.0 . 3.91 1369 1260 A 24 ILE HA A 27 GLU HGx 1.0 . 4.58 1370 1261 A 57 GLN HGx A 57 GLN HA 1.0 . 4.18 1371 1262 A 86 VAL HB A 113 PHE HD% 1.0 . 5.16 1372 1263 A 46 ASP HA A 47 MET HBy 1.0 . 5.24 1373 1264 A 86 VAL HB A 115 SER HBy 1.0 . 4.56 1374 1265 A 79 LEU H A 5 LYS HB2 1.0 . 5.36 1375 1265 A 5 LYS HB3 A 79 LEU H 1.0 . 5.36 1376 1266 A 47 MET H A 47 MET HBy 1.0 . 3.62 1377 1267 A 48 TYR H A 47 MET HBy 1.0 . 4.19 1378 1268 A 65 PRO HBy A 57 GLN HE22 1.0 . 4.47 1379 1268 A 65 PRO HBy A 57 GLN HE21 1.0 . 4.47 1380 1269 A 46 ASP HBy A 49 LYS HBy 1.0 . 3.78 1381 1270 A 38 VAL HGx% A 65 PRO HBy 1.0 . 4.26 1382 1271 A 19 LYS HBy A 19 LYS H 1.0 . 3.60 1383 1272 A 46 ASP H A 49 LYS HBx 1.0 . 4.90 1384 1273 A 49 LYS HBx A 44 ASP HBy 1.0 . 4.14 1385 1274 A 30 ASP H A 29 LYS HBy 1.0 . 4.04 1386 1275 A 29 LYS H A 29 LYS HBy 1.0 . 3.50 1387 1276 A 29 LYS HBy A 29 LYS HGy 1.0 . 2.96 1388 1276 A 29 LYS HBy A 29 LYS HGx 1.0 . 2.96 1389 1277 A 29 LYS H A 29 LYS HBx 1.0 . 3.19 1390 1278 A 18 LYS HBx A 19 LYS H 1.0 . 4.33 1391 1279 A 23 LYS HBy A 23 LYS HE2 1.0 . 4.53 1392 1279 A 23 LYS HBy A 23 LYS HE3 1.0 . 4.53 1393 1280 A 36 VAL H A 36 VAL HB 1.0 . 3.35 1394 1281 A 11 TYR HDy A 36 VAL HB 1.0 . 4.57 1395 1282 A 11 TYR HA A 36 VAL HB 1.0 . 4.17 1396 1283 A 19 LYS HBy A 19 LYS HGy 1.0 . 2.86 1397 1284 A 63 ASP H A 62 LYS HD2 1.0 . 4.22 1398 1284 A 63 ASP H A 62 LYS HD3 1.0 . 4.22 1399 1285 A 12 SER HBy A 18 LYS HBx 1.0 . 4.26 1400 1286 A 124 VAL H A 124 VAL HB 1.0 . 3.03 1401 1287 A 137 ILE H A 136 VAL HB 1.0 . 4.70 1402 1288 A 136 VAL H A 136 VAL HB 1.0 . 3.04 1403 1289 A 138 GLY H A 136 VAL HB 1.0 . 4.71 1404 1290 A 36 VAL HB A 35 GLU HA 1.0 . 4.65 1405 1291 A 103 LYS H A 103 LYS HBx 1.0 . 4.12 1406 1292 A 12 SER HBx A 18 LYS HBx 1.0 . 5.08 1407 1293 A 11 TYR HBy A 94 PRO HB2 1.0 . 4.51 1408 1293 A 11 TYR HBy A 94 PRO HB3 1.0 . 4.51 1409 1294 A 146 VAL H A 146 VAL HB 1.0 . 3.11 1410 1295 A 122 ALA H A 121 LYS HBy 1.0 . 3.75 1411 1296 A 121 LYS H A 121 LYS HBx 1.0 . 3.21 1412 1297 A 141 ARG H A 141 ARG HBy 1.0 . 3.86 1413 1298 A 141 ARG HBx A 140 ALA HA 1.0 . 4.86 1414 1299 A 96 LYS HBy A 97 THR H 1.0 . 4.26 1415 1300 A 10 TYR HD% A 20 MET HGx 1.0 . 5.50 1416 1301 A 58 ILE H A 58 ILE HG1y 1.0 . 3.68 1417 1302 A 58 ILE HG1y A 130 TRP HZ2 1.0 . 5.20 1418 1303 A 58 ILE HA A 58 ILE HG1y 1.0 . 4.00 1419 1304 A 57 GLN HBy A 58 ILE HG1y 1.0 . 5.50 1420 1305 A 96 LYS HBy A 130 TRP HA 1.0 . 5.50 1421 1306 A 142 ASP H A 20 MET HGy 1.0 . 5.13 1422 1307 A 20 MET H A 20 MET HGy 1.0 . 4.94 1423 1308 A 20 MET HGx A 142 ASP HA 1.0 . 4.38 1424 1309 A 102 MET HGy A 101 GLN H 1.0 . 5.17 1425 1310 A 74 TYR HD% A 102 MET HGy 1.0 . 4.95 1426 1311 A 102 MET HGy A 102 MET HA 1.0 . 4.11 1427 1312 A 102 MET HGy A 99 LEU HA 1.0 . 4.41 1428 1313 A 102 MET HGy A 98 LEU HD1% 1.0 . 5.20 1429 1313 A 98 LEU HD2% A 102 MET HGy 1.0 . 5.20 1430 1314 A 4 LYS HA A 4 LYS HDy 1.0 . 4.25 1431 1315 A 4 LYS H A 4 LYS HDx 1.0 . 4.35 1432 1316 A 102 MET H A 102 MET HGx 1.0 . 4.36 1433 1317 A 102 MET HGx A 98 LEU HD1% 1.0 . 5.14 1434 1317 A 98 LEU HD2% A 102 MET HGx 1.0 . 5.14 1435 1318 A 74 TYR HE% A 102 MET HGx 1.0 . 4.99 1436 1319 A 74 TYR HD% A 102 MET HGx 1.0 . 5.01 1437 1320 A 106 ARG H A 106 ARG HBy 1.0 . 3.85 1438 1321 A 105 TYR HA A 106 ARG HBx 1.0 . 4.78 1439 1322 A 75 ASN HD2x A 106 ARG HBx 1.0 . 5.19 1440 1323 A 14 SER H A 13 TRP HB3 1.0 . 5.09 1441 1324 A 67 ILE H A 66 GLU HBy 1.0 . 3.64 1442 1325 A 66 GLU H A 66 GLU HBy 1.0 . 3.86 1443 1326 A 66 GLU HBx A 67 ILE H 1.0 . 4.31 1444 1327 A 13 TRP HB3 A 85 PRO HG2 1.0 . 4.55 1445 1327 A 13 TRP HB3 A 85 PRO HG3 1.0 . 4.55 1446 1328 A 118 THR HB A 119 ASN HBy 1.0 . 4.90 1447 1329 A 118 THR HB A 118 THR HA 1.0 . 2.90 1448 1330 A 14 SER H A 13 TRP HB2 1.0 . 4.76 1449 1331 A 47 MET HGy A 48 TYR HD% 1.0 . 5.16 1450 1332 A 47 MET H A 47 MET HGy 1.0 . 4.16 1451 1333 A 48 TYR H A 47 MET HGy 1.0 . 4.44 1452 1334 A 47 MET H A 47 MET HGx 1.0 . 4.46 1453 1335 A 47 MET HGx A 47 MET HA 1.0 . 4.20 1454 1336 A 48 TYR H A 47 MET HGx 1.0 . 4.40 1455 1337 A 23 LYS HBy A 23 LYS HDx 1.0 . 3.92 1456 1338 A 23 LYS HA A 23 LYS HDx 1.0 . 4.69 1457 1339 A 115 SER H A 114 THR HB 1.0 . 4.29 1458 1340 A 129 GLU HBy A 130 TRP HD1 1.0 . 4.46 1459 1341 A 130 TRP H A 129 GLU HBx 1.0 . 3.78 1460 1342 A 129 GLU H A 129 GLU HBx 1.0 . 3.59 1461 1343 A 130 TRP HD1 A 129 GLU HBx 1.0 . 4.39 1462 1344 A 23 LYS HA A 23 LYS HDy 1.0 . 4.64 1463 1345 A 23 LYS HDx A 23 LYS HGy 1.0 . 3.01 1464 1346 A 149 TRP H A 149 TRP HBx 1.0 . 3.60 1465 1347 A 131 ALA HB% A 130 TRP HB2 1.0 . 4.92 1466 1347 A 130 TRP HB3 A 131 ALA HB% 1.0 . 4.92 1467 1348 A 99 LEU HDx% A 130 TRP HB2 1.0 . 3.78 1468 1348 A 130 TRP HB3 A 99 LEU HDx% 1.0 . 3.78 1469 1349 A 21 ALA H A 20 MET HBy 1.0 . 5.08 1470 1350 A 114 THR HG2% A 20 MET HBy 1.0 . 4.99 1471 1351 A 61 ASN HD2x A 59 GLN HBx 1.0 . 4.77 1472 1352 A 53 ILE HG1y A 54 ALA H 1.0 . 5.50 1473 1353 A 67 ILE HA A 68 GLN HBy 1.0 . 4.88 1474 1354 A 53 ILE H A 53 ILE HG1x 1.0 . 3.81 1475 1355 A 53 ILE HA A 53 ILE HG1x 1.0 . 3.59 1476 1356 A 53 ILE HG1x A 49 LYS HE2 1.0 . 5.19 1477 1356 A 53 ILE HG1x A 49 LYS HE3 1.0 . 5.19 1478 1357 A 61 ASN HD2y A 59 GLN HBy 1.0 . 4.63 1479 1358 A 27 GLU HBy A 28 ILE HG12 1.0 . 4.88 1480 1358 A 27 GLU HBy A 28 ILE HG13 1.0 . 4.88 1481 1359 A 68 GLN H A 68 GLN HBy 1.0 . 3.72 1482 1360 A 68 GLN H A 68 GLN HBx 1.0 . 3.68 1483 1361 A 151 LYS H A 151 LYS HD2 1.0 . 4.41 1484 1361 A 151 LYS H A 151 LYS HD3 1.0 . 4.41 1485 1362 A 145 GLU HBy A 149 TRP HZ2 1.0 . 4.51 1486 1363 A 145 GLU HBx A 149 TRP HZ2 1.0 . 4.64 1487 1364 A 145 GLU HBx A 146 VAL H 1.0 . 5.15 1488 1365 A 121 LYS H A 120 HIS HBx 1.0 . 4.32 1489 1366 A 61 ASN HD2x A 59 GLN HBy 1.0 . 4.61 1490 1367 A 59 GLN H A 59 GLN HBy 1.0 . 3.48 1491 1368 A 56 ASP HA A 59 GLN HBy 1.0 . 4.10 1492 1369 A 24 ILE HA A 27 GLU HBy 1.0 . 4.10 1493 1370 A 27 GLU HBy A 146 VAL HGx% 1.0 . 4.70 1494 1371 A 20 MET HBx A 24 ILE HD1% 1.0 . 5.50 1495 1372 A 24 ILE HA A 27 GLU HBx 1.0 . 4.18 1496 1373 A 27 GLU HBx A 146 VAL HGx% 1.0 . 4.43 1497 1374 A 69 LEU H A 68 GLN HBy 1.0 . 4.64 1498 1375 A 37 LYS HA A 37 LYS HD2 1.0 . 4.10 1499 1375 A 37 LYS HA A 37 LYS HD3 1.0 . 4.10 1500 1376 A 30 ASP H A 29 LYS HD2 1.0 . 4.70 1501 1376 A 30 ASP H A 29 LYS HD3 1.0 . 4.70 1502 1377 A 148 LYS H A 148 LYS HD2 1.0 . 4.34 1503 1377 A 148 LYS HD3 A 148 LYS H 1.0 . 4.34 1504 1378 A 35 GLU H A 34 LYS HD2 1.0 . 4.85 1505 1378 A 35 GLU H A 34 LYS HD3 1.0 . 4.85 1506 1379 A 145 GLU HBy A 146 VAL H 1.0 . 5.04 1507 1380 A 145 GLU HBy A 148 LYS HD2 1.0 . 2.76 1508 1380 A 145 GLU HBy A 148 LYS HD3 1.0 . 2.76 1509 1381 A 16 GLU HBy A 114 THR HG2% 1.0 . 5.50 1510 1382 A 22 GLU H A 22 GLU HBy 1.0 . 3.96 1511 1383 A 33 LEU HDx% A 22 GLU HBy 1.0 . 5.49 1512 1384 A 23 LYS H A 22 GLU HBy 1.0 . 4.32 1513 1385 A 17 THR H A 16 GLU HBx 1.0 . 4.57 1514 1386 A 23 LYS H A 22 GLU HBx 1.0 . 4.30 1515 1387 A 69 LEU HA A 37 LYS HD2 1.0 . 5.22 1516 1387 A 69 LEU HA A 37 LYS HD3 1.0 . 5.22 1517 1388 A 37 LYS H A 37 LYS HD2 1.0 . 4.41 1518 1388 A 37 LYS H A 37 LYS HD3 1.0 . 4.41 1519 1389 A 145 GLU HA A 148 LYS HD2 1.0 . 4.45 1520 1389 A 148 LYS HD3 A 145 GLU HA 1.0 . 4.45 1521 1390 A 9 LEU HDy% A 34 LYS HD2 1.0 . 4.57 1522 1390 A 9 LEU HD1% A 34 LYS HD2 1.0 . 4.57 1523 1390 A 34 LYS HD3 A 9 LEU HD1% 1.0 . 4.57 1524 1390 A 9 LEU HDy% A 34 LYS HD3 1.0 . 4.57 1525 1391 A 34 LYS HA A 34 LYS HD2 1.0 . 4.18 1526 1391 A 34 LYS HD3 A 34 LYS HA 1.0 . 4.18 1527 1392 A 7 LEU HD1% A 34 LYS HD2 1.0 . 4.96 1528 1392 A 7 LEU HD2% A 34 LYS HD2 1.0 . 4.96 1529 1392 A 34 LYS HD3 A 7 LEU HD1% 1.0 . 4.96 1530 1392 A 7 LEU HD2% A 34 LYS HD3 1.0 . 4.96 1531 1393 A 6 THR HB A 32 GLU H 1.0 . 4.94 1532 1394 A 6 THR HB A 5 LYS HA 1.0 . 4.49 1533 1395 A 91 PRO HBx A 94 PRO HGx 1.0 . 3.81 1534 1396 A 94 PRO HGx A 92 ALA HB% 1.0 . 5.21 1535 1397 A 127 PHE H A 126 HIS HBy 1.0 . 4.57 1536 1398 A 123 TYR HA A 126 HIS HBy 1.0 . 4.45 1537 1399 A 91 PRO HBx A 94 PRO HGy 1.0 . 4.34 1538 1400 A 93 THR H A 91 PRO HBy 1.0 . 4.45 1539 1401 A 126 HIS HBx A 90 TYR HD% 1.0 . 4.53 1540 1402 A 126 HIS HBx A 123 TYR HA 1.0 . 4.81 1541 1403 A 95 ILE HG1y A 127 PHE HD% 1.0 . 5.05 1542 1404 A 103 LYS H A 103 LYS HD2 1.0 . 5.13 1543 1404 A 103 LYS H A 103 LYS HD3 1.0 . 5.13 1544 1405 A 103 LYS HA A 103 LYS HD2 1.0 . 3.46 1545 1405 A 103 LYS HA A 103 LYS HD3 1.0 . 3.46 1546 1406 A 95 ILE H A 95 ILE HG1x 1.0 . 4.24 1547 1407 A 84 SER HBy A 95 ILE HG1x 1.0 . 4.85 1548 1408 A 84 SER HBx A 95 ILE HG1x 1.0 . 4.75 1549 1409 A 127 PHE HD% A 95 ILE HG1x 1.0 . 5.11 1550 1410 A 101 GLN H A 101 GLN HBy 1.0 . 3.73 1551 1411 A 98 LEU HA A 101 GLN HBy 1.0 . 4.44 1552 1412 A 101 GLN HBy A 98 LEU HD1% 1.0 . 5.19 1553 1412 A 98 LEU HD2% A 101 GLN HBy 1.0 . 5.19 1554 1413 A 74 TYR HE% A 101 GLN HBx 1.0 . 4.70 1555 1414 A 101 GLN HBx A 98 LEU HA 1.0 . 4.66 1556 1415 A 101 GLN HBx A 101 GLN H 1.0 . 3.64 1557 1416 A 101 GLN HBx A 98 LEU HD1% 1.0 . 5.10 1558 1416 A 98 LEU HD2% A 101 GLN HBx 1.0 . 5.10 1559 1417 A 8 ILE H A 8 ILE HG1y 1.0 . 3.58 1560 1418 A 8 ILE HG2% A 8 ILE HG1y 1.0 . 3.73 1561 1419 A 90 TYR HA A 91 PRO HGx 1.0 . 5.25 1562 1420 A 102 MET H A 101 GLN HBy 1.0 . 4.93 1563 1421 A 74 TYR HE% A 101 GLN HBy 1.0 . 4.61 1564 1422 A 9 LEU H A 82 ILE HG1y 1.0 . 4.48 1565 1423 A 93 THR H A 91 PRO HGx 1.0 . 3.98 1566 1424 A 82 ILE HA A 82 ILE HG1x 1.0 . 3.77 1567 1425 A 123 TYR HA A 91 PRO HGx 1.0 . 5.38 1568 1426 A 9 LEU H A 82 ILE HG1x 1.0 . 5.18 1569 1427 A 8 ILE H A 8 ILE HG1x 1.0 . 4.28 1570 1428 A 66 GLU H A 65 PRO HG2 1.0 . 4.99 1571 1428 A 66 GLU H A 65 PRO HG3 1.0 . 4.99 1572 1429 A 64 PHE HD% A 65 PRO HG2 1.0 . 4.60 1573 1429 A 64 PHE HD% A 65 PRO HG3 1.0 . 4.60 1574 1430 A 57 GLN HE21 A 65 PRO HG2 1.0 . 5.03 1575 1430 A 57 GLN HE22 A 65 PRO HG2 1.0 . 5.03 1576 1430 A 65 PRO HG3 A 57 GLN HE22 1.0 . 5.03 1577 1430 A 57 GLN HE21 A 65 PRO HG3 1.0 . 5.03 1578 1431 A 94 PRO HA A 65 PRO HG2 1.0 . 3.57 1579 1431 A 94 PRO HA A 65 PRO HG3 1.0 . 3.57 1580 1432 A 82 ILE H A 82 ILE HG1y 1.0 . 4.06 1581 1433 A 81 LEU HA A 82 ILE HG1y 1.0 . 5.20 1582 1434 A 82 ILE H A 82 ILE HG1x 1.0 . 5.22 1583 1435 A 80 ILE HG2% A 82 ILE HG1x 1.0 . 4.36 1584 1436 A 80 ILE H A 80 ILE HG12 1.0 . 4.66 1585 1436 A 80 ILE HG13 A 80 ILE H 1.0 . 4.66 1586 1437 A 108 GLU H A 80 ILE HG12 1.0 . 5.15 1587 1437 A 80 ILE HG13 A 108 GLU H 1.0 . 5.15 1588 1438 A 80 ILE HA A 80 ILE HG12 1.0 . 4.11 1589 1438 A 80 ILE HG13 A 80 ILE HA 1.0 . 4.11 1590 1439 A 81 LEU H A 80 ILE HG12 1.0 . 5.03 1591 1439 A 80 ILE HG13 A 81 LEU H 1.0 . 5.03 1592 1440 A 55 LEU HA A 55 LEU HG 1.0 . 4.06 1593 1441 A 55 LEU HG A 59 GLN HGy 1.0 . 4.84 1594 1442 A 56 ASP H A 55 LEU HG 1.0 . 4.95 1595 1443 A 55 LEU HG A 52 ASP HA 1.0 . 4.96 1596 1444 A 33 LEU HG A 33 LEU H 1.0 . 4.99 1597 1445 A 99 LEU H A 99 LEU HDx% 1.0 . 3.81 1598 1446 A 99 LEU HDx% A 130 TRP HA 1.0 . 5.24 1599 1447 A 99 LEU HDx% A 99 LEU HA 1.0 . 4.22 1600 1448 A 99 LEU HDx% A 96 LYS HA 1.0 . 4.11 1601 1449 A 99 LEU HDx% A 96 LYS HGx 1.0 . 5.50 1602 1450 A 9 LEU HG A 80 ILE HG2% 1.0 . 5.03 1603 1451 A 72 ILE H A 72 ILE HG1y 1.0 . 3.78 1604 1452 A 72 ILE HG1y A 72 ILE HA 1.0 . 3.89 1605 1453 A 70 ASP HBx A 72 ILE HG1y 1.0 . 4.54 1606 1454 A 71 ASN H A 72 ILE HG1y 1.0 . 4.48 1607 1455 A 72 ILE H A 72 ILE HG1x 1.0 . 4.23 1608 1456 A 73 ASP H A 72 ILE HG1x 1.0 . 4.73 1609 1457 A 64 PHE HD% A 96 LYS HDy 1.0 . 5.48 1610 1458 A 106 ARG H A 106 ARG HGy 1.0 . 3.96 1611 1459 A 75 ASN HD2x A 106 ARG HGy 1.0 . 4.71 1612 1460 A 105 TYR HA A 106 ARG HGy 1.0 . 4.67 1613 1461 A 106 ARG HA A 106 ARG HGy 1.0 . 3.87 1614 1462 A 103 LYS HA A 134 LEU HG 1.0 . 4.83 1615 1463 A 106 ARG H A 106 ARG HGx 1.0 . 3.99 1616 1464 A 106 ARG HA A 106 ARG HGx 1.0 . 3.86 1617 1465 A 75 ASN HD2x A 106 ARG HGx 1.0 . 5.05 1618 1466 A 98 LEU H A 98 LEU HG 1.0 . 4.92 1619 1467 A 71 ASN HA A 72 ILE HG1y 1.0 . 4.94 1620 1468 A 34 LYS H A 33 LEU HDx% 1.0 . 5.09 1621 1469 A 33 LEU HA A 33 LEU HDx% 1.0 . 4.26 1622 1470 A 72 ILE HG2% A 72 ILE HG1x 1.0 . 3.96 1623 1471 A 8 ILE H A 7 LEU HG 1.0 . 4.15 1624 1472 A 7 LEU H A 7 LEU HG 1.0 . 4.44 1625 1473 A 7 LEU HG A 9 LEU HA 1.0 . 5.04 1626 1474 A 9 LEU HG A 7 LEU HG 1.0 . 3.84 1627 1475 A 96 LYS HA A 96 LYS HDx 1.0 . 4.62 1628 1476 A 44 ASP H A 50 THR HB 1.0 . 4.28 1629 1477 A 33 LEU HDx% A 22 GLU HA 1.0 . 3.38 1630 1478 A 33 LEU HDx% A 25 ASN HBy 1.0 . 3.73 1631 1479 A 33 LEU HDx% A 25 ASN HBx 1.0 . 4.28 1632 1480 A 33 LEU HDx% A 22 GLU HGy 1.0 . 4.20 1633 1481 A 80 ILE HA A 7 LEU HG 1.0 . 4.78 1634 1482 A 7 LEU HA A 7 LEU HG 1.0 . 4.11 1635 1483 A 80 ILE HD1% A 7 LEU HG 1.0 . 4.39 1636 1484 A 97 THR HA A 96 LYS HDy 1.0 . 5.35 1637 1485 A 96 LYS HA A 96 LYS HDy 1.0 . 4.15 1638 1486 A 130 TRP HA A 96 LYS HDx 1.0 . 5.16 1639 1487 A 53 ILE HB A 50 THR HB 1.0 . 4.64 1640 1488 A 53 ILE HD1% A 50 THR HB 1.0 . 4.20 1641 1489 A 43 PHE HD% A 50 THR HB 1.0 . 5.04 1642 1490 A 70 ASP H A 69 LEU HDx% 1.0 . 4.81 1643 1491 A 69 LEU H A 69 LEU HDx% 1.0 . 4.17 1644 1492 A 69 LEU HA A 69 LEU HDx% 1.0 . 3.83 1645 1493 A 33 LEU HBy A 33 LEU HDx% 1.0 . 2.56 1646 1494 A 57 GLN HBy A 57 GLN H 1.0 . 3.90 1647 1495 A 134 LEU H A 134 LEU HDx% 1.0 . 3.98 1648 1496 A 134 LEU HA A 134 LEU HDx% 1.0 . 4.60 1649 1497 A 103 LYS HA A 134 LEU HDx% 1.0 . 3.43 1650 1498 A 134 LEU HDx% A 103 LYS HEx 1.0 . 5.05 1651 1499 A 134 LEU HBy A 134 LEU HDx% 1.0 . 3.48 1652 1500 A 105 TYR HD% A 134 LEU HDx% 1.0 . 4.84 1653 1501 A 149 TRP HD1 A 137 ILE HG12 1.0 . 4.96 1654 1501 A 137 ILE HG13 A 149 TRP HD1 1.0 . 4.96 1655 1502 A 136 VAL HA A 137 ILE HG12 1.0 . 3.83 1656 1502 A 137 ILE HG13 A 136 VAL HA 1.0 . 3.83 1657 1503 A 58 ILE H A 57 GLN HBx 1.0 . 4.59 1658 1504 A 57 GLN HBx A 93 THR HG2% 1.0 . 5.50 1659 1505 A 92 ALA HB% A 85 PRO HG2 1.0 . 4.57 1660 1505 A 85 PRO HG3 A 92 ALA HB% 1.0 . 4.57 1661 1506 A 11 TYR HDx A 85 PRO HG2 1.0 . 5.47 1662 1506 A 85 PRO HG3 A 11 TYR HDx 1.0 . 5.47 1663 1507 A 84 SER HA A 85 PRO HG2 1.0 . 4.79 1664 1507 A 85 PRO HG3 A 84 SER HA 1.0 . 4.79 1665 1508 A 142 ASP H A 141 ARG HGy 1.0 . 4.30 1666 1509 A 135 ASN H A 134 LEU HDx% 1.0 . 5.50 1667 1510 A 102 MET H A 134 LEU HDx% 1.0 . 5.50 1668 1511 A 34 LYS H A 33 LEU HDy% 1.0 . 3.52 1669 1512 A 21 ALA H A 33 LEU HDy% 1.0 . 5.21 1670 1513 A 33 LEU H A 33 LEU HDy% 1.0 . 4.46 1671 1514 A 25 ASN H A 33 LEU HDy% 1.0 . 4.67 1672 1515 A 22 GLU H A 33 LEU HDy% 1.0 . 5.19 1673 1516 A 33 LEU HA A 33 LEU HDy% 1.0 . 3.22 1674 1517 A 22 GLU HA A 33 LEU HDy% 1.0 . 4.17 1675 1518 A 21 ALA HA A 33 LEU HDy% 1.0 . 5.03 1676 1519 A 25 ASN HBy A 33 LEU HDy% 1.0 . 4.07 1677 1520 A 25 ASN HBx A 33 LEU HDy% 1.0 . 3.84 1678 1521 A 22 GLU HGy A 33 LEU HDy% 1.0 . 5.50 1679 1522 A 8 ILE HB A 33 LEU HDy% 1.0 . 3.18 1680 1523 A 33 LEU HBy A 33 LEU HDy% 1.0 . 3.50 1681 1524 A 81 LEU HBy A 81 LEU HD1% 1.0 . 3.21 1682 1524 A 81 LEU HD2% A 81 LEU HBy 1.0 . 3.21 1683 1525 A 146 VAL HGx% A 28 ILE HG12 1.0 . 3.19 1684 1525 A 28 ILE HG13 A 146 VAL HGx% 1.0 . 3.19 1685 1526 A 25 ASN HA A 33 LEU HDy% 1.0 . 5.02 1686 1527 A 24 ILE HG2% A 81 LEU HD1% 1.0 . 3.59 1687 1527 A 81 LEU HD2% A 24 ILE HG2% 1.0 . 3.59 1688 1528 A 24 ILE HD1% A 81 LEU HD1% 1.0 . 4.76 1689 1528 A 81 LEU HD2% A 24 ILE HD1% 1.0 . 4.76 1690 1529 A 7 LEU H A 81 LEU HD1% 1.0 . 5.14 1691 1529 A 7 LEU H A 81 LEU HD2% 1.0 . 5.14 1692 1530 A 28 ILE H A 28 ILE HG12 1.0 . 3.99 1693 1530 A 28 ILE H A 28 ILE HG13 1.0 . 3.99 1694 1531 A 49 LYS HA A 49 LYS HGy 1.0 . 3.75 1695 1532 A 5 LYS H A 4 LYS HGy 1.0 . 5.26 1696 1533 A 4 LYS H A 4 LYS HGy 1.0 . 3.95 1697 1534 A 81 LEU H A 81 LEU HD1% 1.0 . 4.07 1698 1534 A 81 LEU HD2% A 81 LEU H 1.0 . 4.07 1699 1535 A 149 TRP HE3 A 81 LEU HD1% 1.0 . 3.82 1700 1535 A 81 LEU HD2% A 149 TRP HE3 1.0 . 3.82 1701 1536 A 149 TRP HBy A 81 LEU HD1% 1.0 . 5.07 1702 1536 A 81 LEU HD2% A 149 TRP HBy 1.0 . 5.07 1703 1537 A 79 LEU HDy% A 79 LEU HA 1.0 . 4.17 1704 1538 A 79 LEU HDy% A 150 SER HBx 1.0 . 4.34 1705 1539 A 49 LYS HGy A 49 LYS HE2 1.0 . 3.66 1706 1539 A 49 LYS HGy A 49 LYS HE3 1.0 . 3.66 1707 1540 A 122 ALA H A 121 LYS HGy 1.0 . 5.23 1708 1541 A 49 LYS HGx A 49 LYS HE2 1.0 . 3.93 1709 1541 A 49 LYS HE3 A 49 LYS HGx 1.0 . 3.93 1710 1542 A 38 VAL H A 37 LYS HG2 1.0 . 3.88 1711 1542 A 38 VAL H A 37 LYS HG3 1.0 . 3.88 1712 1543 A 37 LYS H A 37 LYS HG2 1.0 . 3.80 1713 1543 A 37 LYS H A 37 LYS HG3 1.0 . 3.80 1714 1544 A 37 LYS HD3 A 37 LYS HG2 1.0 . 2.59 1715 1544 A 37 LYS HD2 A 37 LYS HG2 1.0 . 2.59 1716 1544 A 37 LYS HG3 A 37 LYS HD2 1.0 . 2.59 1717 1544 A 37 LYS HG3 A 37 LYS HD3 1.0 . 2.59 1718 1545 A 62 LYS H A 62 LYS HGy 1.0 . 4.54 1719 1546 A 56 ASP HBx A 62 LYS HGy 1.0 . 4.46 1720 1547 A 34 LYS HGy A 7 LEU HD1% 1.0 . 4.36 1721 1547 A 7 LEU HD2% A 34 LYS HGy 1.0 . 4.36 1722 1548 A 62 LYS H A 62 LYS HGx 1.0 . 4.45 1723 1549 A 62 LYS HGx A 62 LYS HA 1.0 . 4.02 1724 1550 A 62 LYS HGx A 56 ASP HBx 1.0 . 4.19 1725 1551 A 79 LEU HDy% A 149 TRP HBy 1.0 . 4.36 1726 1552 A 79 LEU HDy% A 149 TRP HBx 1.0 . 3.65 1727 1553 A 34 LYS H A 9 LEU HD1% 1.0 . 4.02 1728 1553 A 34 LYS H A 9 LEU HDy% 1.0 . 4.02 1729 1554 A 9 LEU H A 9 LEU HD1% 1.0 . 4.17 1730 1554 A 9 LEU H A 9 LEU HDy% 1.0 . 4.17 1731 1555 A 9 LEU HA A 9 LEU HD1% 1.0 . 3.18 1732 1555 A 9 LEU HDy% A 9 LEU HA 1.0 . 3.18 1733 1556 A 9 LEU HBy A 9 LEU HD1% 1.0 . 2.73 1734 1556 A 9 LEU HBy A 9 LEU HDy% 1.0 . 2.73 1735 1557 A 9 LEU HBx A 9 LEU HD1% 1.0 . 2.86 1736 1557 A 9 LEU HBx A 9 LEU HDy% 1.0 . 2.86 1737 1558 A 7 LEU HG A 9 LEU HD1% 1.0 . 3.08 1738 1558 A 9 LEU HDy% A 7 LEU HG 1.0 . 3.08 1739 1559 A 10 TYR H A 9 LEU HD1% 1.0 . 4.63 1740 1559 A 10 TYR H A 9 LEU HDy% 1.0 . 4.63 1741 1560 A 127 PHE H A 124 VAL HA 1.0 . 5.07 1742 1561 A 123 TYR HBy A 124 VAL HA 1.0 . 5.40 1743 1562 A 19 LYS HA A 19 LYS HGy 1.0 . 4.20 1744 1563 A 19 LYS H A 19 LYS HGy 1.0 . 4.77 1745 1564 A 121 LYS HGy A 121 LYS HA 1.0 . 3.97 1746 1565 A 121 LYS HGy A 121 LYS HE2 1.0 . 4.16 1747 1565 A 121 LYS HGy A 121 LYS HE3 1.0 . 4.16 1748 1566 A 121 LYS HA A 121 LYS HGx 1.0 . 3.70 1749 1567 A 34 LYS H A 34 LYS HGy 1.0 . 4.50 1750 1568 A 34 LYS H A 34 LYS HGx 1.0 . 4.45 1751 1569 A 34 LYS HGx A 34 LYS HA 1.0 . 3.93 1752 1570 A 34 LYS HEy A 34 LYS HGx 1.0 . 4.20 1753 1571 A 34 LYS HGx A 7 LEU HD1% 1.0 . 4.24 1754 1571 A 7 LEU HD2% A 34 LYS HGx 1.0 . 4.24 1755 1572 A 35 GLU H A 34 LYS HGx 1.0 . 4.91 1756 1573 A 69 LEU HDy% A 70 ASP H 1.0 . 3.75 1757 1574 A 69 LEU HDy% A 36 VAL HA 1.0 . 3.74 1758 1575 A 69 LEU HDy% A 70 ASP HBx 1.0 . 5.06 1759 1576 A 12 SER HA A 17 THR HA 1.0 . 4.82 1760 1577 A 20 MET H A 19 LYS HGx 1.0 . 5.50 1761 1578 A 151 LYS H A 151 LYS HG2 1.0 . 3.68 1762 1578 A 151 LYS H A 151 LYS HG3 1.0 . 3.68 1763 1579 A 93 THR HB A 93 THR H 1.0 . 3.98 1764 1580 A 5 LYS HGy A 5 LYS HA 1.0 . 4.00 1765 1581 A 5 LYS HGy A 4 LYS HE2 1.0 . 4.56 1766 1581 A 5 LYS HGy A 4 LYS HE3 1.0 . 4.56 1767 1582 A 5 LYS HGy A 6 THR H 1.0 . 4.68 1768 1583 A 5 LYS HGy A 77 TYR HA 1.0 . 4.72 1769 1584 A 5 LYS H A 5 LYS HGx 1.0 . 4.12 1770 1585 A 5 LYS HA A 5 LYS HGx 1.0 . 3.96 1771 1586 A 77 TYR HA A 5 LYS HGx 1.0 . 4.82 1772 1587 A 6 THR H A 5 LYS HGx 1.0 . 4.37 1773 1588 A 5 LYS HGx A 4 LYS HE2 1.0 . 4.04 1774 1588 A 4 LYS HE3 A 5 LYS HGx 1.0 . 4.04 1775 1589 A 78 ASP H A 5 LYS HGx 1.0 . 5.07 1776 1590 A 151 LYS HD2 A 151 LYS HG2 1.0 . 2.40 1777 1590 A 151 LYS HD3 A 151 LYS HG2 1.0 . 2.40 1778 1590 A 151 LYS HG3 A 151 LYS HD2 1.0 . 2.40 1779 1590 A 151 LYS HG3 A 151 LYS HD3 1.0 . 2.40 1780 1591 A 149 TRP H A 148 LYS HGy 1.0 . 5.13 1781 1592 A 148 LYS HGy A 147 ASP HB2 1.0 . 4.95 1782 1592 A 147 ASP HB3 A 148 LYS HGy 1.0 . 4.95 1783 1593 A 148 LYS H A 148 LYS HGy 1.0 . 4.11 1784 1594 A 149 TRP HD1 A 148 LYS HGy 1.0 . 5.48 1785 1595 A 148 LYS HA A 148 LYS HGx 1.0 . 3.83 1786 1596 A 86 VAL HGy% A 115 SER HBx 1.0 . 4.62 1787 1597 A 17 THR HB A 11 TYR H 1.0 . 5.18 1788 1598 A 12 SER H A 17 THR HB 1.0 . 4.81 1789 1599 A 53 ILE HG2% A 42 THR HA 1.0 . 4.91 1790 1600 A 42 THR HG2% A 42 THR HA 1.0 . 3.75 1791 1601 A 146 VAL HA A 148 LYS HGy 1.0 . 5.47 1792 1602 A 149 TRP HBy A 146 VAL HA 1.0 . 4.22 1793 1603 A 93 THR H A 93 THR HG2% 1.0 . 3.27 1794 1604 A 57 GLN HBy A 93 THR HG2% 1.0 . 3.74 1795 1605 A 54 ALA HB% A 93 THR HG2% 1.0 . 3.43 1796 1606 A 58 ILE HG1x A 93 THR HG2% 1.0 . 4.77 1797 1607 A 103 LYS H A 103 LYS HGy 1.0 . 4.70 1798 1608 A 103 LYS H A 103 LYS HGx 1.0 . 4.24 1799 1609 A 148 LYS H A 148 LYS HGx 1.0 . 4.24 1800 1610 A 86 VAL HB A 115 SER HBx 1.0 . 4.99 1801 1611 A 16 GLU HBx A 17 THR HB 1.0 . 4.88 1802 1612 A 148 LYS H A 146 VAL HA 1.0 . 3.81 1803 1613 A 30 ASP H A 29 LYS HGy 1.0 . 3.88 1804 1613 A 30 ASP H A 29 LYS HGx 1.0 . 3.88 1805 1614 A 29 LYS H A 29 LYS HGy 1.0 . 4.20 1806 1614 A 29 LYS H A 29 LYS HGx 1.0 . 4.20 1807 1615 A 23 LYS HA A 23 LYS HGy 1.0 . 3.87 1808 1616 A 23 LYS H A 23 LYS HGy 1.0 . 4.70 1809 1617 A 23 LYS HGy A 23 LYS HE2 1.0 . 3.91 1810 1617 A 23 LYS HE3 A 23 LYS HGy 1.0 . 3.91 1811 1618 A 27 GLU HGy A 23 LYS HGy 1.0 . 5.16 1812 1619 A 27 GLU HGy A 23 LYS HGx 1.0 . 5.50 1813 1620 A 23 LYS HA A 23 LYS HGx 1.0 . 3.99 1814 1621 A 24 ILE H A 23 LYS HGx 1.0 . 5.25 1815 1622 A 23 LYS HGx A 23 LYS HE2 1.0 . 3.95 1816 1622 A 23 LYS HE3 A 23 LYS HGx 1.0 . 3.95 1817 1623 A 58 ILE HD1% A 55 LEU HDx% 1.0 . 4.71 1818 1624 A 59 GLN HE2y A 55 LEU HDx% 1.0 . 4.50 1819 1625 A 59 GLN HE2x A 55 LEU HDx% 1.0 . 4.89 1820 1626 A 52 ASP HA A 55 LEU HDx% 1.0 . 3.91 1821 1627 A 59 GLN HGy A 55 LEU HDx% 1.0 . 4.21 1822 1628 A 59 GLN HGx A 55 LEU HDx% 1.0 . 4.83 1823 1629 A 59 GLN H A 55 LEU HDx% 1.0 . 5.50 1824 1630 A 140 ALA H A 139 VAL HGx% 1.0 . 3.69 1825 1631 A 124 VAL H A 139 VAL HGx% 1.0 . 5.05 1826 1632 A 139 VAL H A 139 VAL HGx% 1.0 . 4.58 1827 1633 A 128 ASN HD2y A 139 VAL HGx% 1.0 . 4.78 1828 1634 A 127 PHE HD% A 139 VAL HGx% 1.0 . 5.50 1829 1635 A 113 PHE HD% A 139 VAL HGx% 1.0 . 3.56 1830 1636 A 139 VAL HA A 139 VAL HGx% 1.0 . 3.41 1831 1637 A 139 VAL HGx% A 124 VAL HA 1.0 . 3.49 1832 1638 A 111 SER HBy A 139 VAL HGx% 1.0 . 3.92 1833 1639 A 111 SER HBx A 139 VAL HGx% 1.0 . 4.44 1834 1640 A 24 ILE HA A 24 ILE HD1% 1.0 . 4.84 1835 1641 A 24 ILE HG1y A 24 ILE HA 1.0 . 4.11 1836 1642 A 12 SER HBy A 18 LYS HBy 1.0 . 4.57 1837 1643 A 24 ILE HA A 146 VAL HGx% 1.0 . 4.99 1838 1644 A 24 ILE HG1x A 24 ILE HA 1.0 . 3.84 1839 1645 A 149 TRP HE1 A 140 ALA HB% 1.0 . 4.96 1840 1646 A 140 ALA H A 140 ALA HB% 1.0 . 3.61 1841 1647 A 139 VAL H A 140 ALA HB% 1.0 . 5.50 1842 1648 A 145 GLU H A 140 ALA HB% 1.0 . 3.91 1843 1649 A 149 TRP HZ2 A 140 ALA HB% 1.0 . 3.39 1844 1650 A 145 GLU HGy A 140 ALA HB% 1.0 . 3.32 1845 1651 A 145 GLU HBx A 140 ALA HB% 1.0 . 3.35 1846 1652 A 18 LYS HGy A 18 LYS HE2 1.0 . 3.87 1847 1652 A 18 LYS HE3 A 18 LYS HGy 1.0 . 3.87 1848 1653 A 134 LEU HDy% A 135 ASN HBx 1.0 . 5.50 1849 1654 A 18 LYS HGx A 18 LYS HE2 1.0 . 3.82 1850 1654 A 18 LYS HGx A 18 LYS HE3 1.0 . 3.82 1851 1655 A 22 GLU HGy A 18 LYS HGx 1.0 . 5.18 1852 1656 A 24 ILE H A 146 VAL HGy% 1.0 . 5.11 1853 1657 A 145 GLU H A 146 VAL HGy% 1.0 . 4.24 1854 1658 A 146 VAL H A 146 VAL HGy% 1.0 . 3.28 1855 1659 A 146 VAL HGy% A 143 ASP HA 1.0 . 3.30 1856 1660 A 24 ILE HA A 146 VAL HGy% 1.0 . 4.59 1857 1661 A 146 VAL HGy% A 146 VAL HA 1.0 . 3.17 1858 1662 A 146 VAL HGy% A 143 ASP HBx 1.0 . 4.06 1859 1663 A 24 ILE HG1x A 146 VAL HGy% 1.0 . 4.08 1860 1664 A 146 VAL HGy% A 24 ILE HD1% 1.0 . 3.67 1861 1665 A 139 VAL HA A 140 ALA HB% 1.0 . 5.33 1862 1666 A 109 VAL HA A 109 VAL HGy% 1.0 . 3.41 1863 1667 A 109 VAL H A 109 VAL HGy% 1.0 . 3.91 1864 1668 A 110 ALA H A 109 VAL HGy% 1.0 . 4.59 1865 1669 A 108 GLU H A 109 VAL HGy% 1.0 . 4.20 1866 1670 A 135 ASN HBy A 109 VAL HGy% 1.0 . 5.32 1867 1671 A 80 ILE HG2% A 109 VAL HGy% 1.0 . 4.18 1868 1672 A 80 ILE HD1% A 109 VAL HGy% 1.0 . 4.78 1869 1673 A 135 ASN H A 134 LEU HDy% 1.0 . 4.15 1870 1674 A 134 LEU HDy% A 134 LEU HA 1.0 . 3.10 1871 1675 A 103 LYS HA A 134 LEU HDy% 1.0 . 3.35 1872 1676 A 105 TYR HBy A 134 LEU HDy% 1.0 . 3.71 1873 1677 A 55 LEU H A 55 LEU HDy% 1.0 . 4.12 1874 1678 A 55 LEU HDy% A 59 GLN HE2x 1.0 . 4.90 1875 1679 A 55 LEU HA A 55 LEU HDy% 1.0 . 3.21 1876 1680 A 58 ILE HD1% A 55 LEU HDy% 1.0 . 3.77 1877 1681 A 56 ASP HBy A 53 ILE HA 1.0 . 3.72 1878 1682 A 53 ILE HG1y A 53 ILE HA 1.0 . 3.85 1879 1683 A 97 THR HA A 100 ASP HBy 1.0 . 3.56 1880 1684 A 53 ILE HA A 55 LEU HBx 1.0 . 5.43 1881 1685 A 52 ASP HBy A 53 ILE HA 1.0 . 4.99 1882 1686 A 97 THR H A 97 THR HG2% 1.0 . 4.13 1883 1687 A 67 ILE H A 67 ILE HG1x 1.0 . 3.31 1884 1687 A 67 ILE HG1y A 67 ILE H 1.0 . 3.31 1885 1688 A 97 THR HG2% A 101 GLN HE2y 1.0 . 4.06 1886 1689 A 101 GLN HE2x A 67 ILE HG1x 1.0 . 4.26 1887 1689 A 67 ILE HG1y A 101 GLN HE2x 1.0 . 4.26 1888 1690 A 97 THR HG2% A 66 GLU HA 1.0 . 3.37 1889 1691 A 97 THR HG2% A 98 LEU HA 1.0 . 4.42 1890 1692 A 97 THR HG2% A 97 THR HA 1.0 . 3.11 1891 1693 A 97 THR HG2% A 101 GLN HGy 1.0 . 4.22 1892 1694 A 97 THR HG2% A 100 ASP HBx 1.0 . 4.72 1893 1695 A 96 LYS H A 96 LYS HGy 1.0 . 4.82 1894 1696 A 96 LYS H A 96 LYS HGx 1.0 . 4.32 1895 1697 A 97 THR H A 96 LYS HGx 1.0 . 5.08 1896 1698 A 96 LYS HA A 96 LYS HGx 1.0 . 4.10 1897 1699 A 58 ILE HA A 130 TRP HZ2 1.0 . 5.12 1898 1700 A 58 ILE HG1x A 58 ILE HA 1.0 . 3.76 1899 1701 A 109 VAL H A 79 LEU HDx% 1.0 . 4.84 1900 1702 A 80 ILE H A 79 LEU HDx% 1.0 . 3.29 1901 1703 A 79 LEU H A 79 LEU HDx% 1.0 . 4.73 1902 1704 A 108 GLU H A 79 LEU HDx% 1.0 . 3.99 1903 1705 A 109 VAL HA A 79 LEU HDx% 1.0 . 3.98 1904 1706 A 79 LEU HA A 79 LEU HDx% 1.0 . 3.19 1905 1707 A 108 GLU HA A 79 LEU HDx% 1.0 . 4.13 1906 1708 A 149 TRP HBy A 79 LEU HDx% 1.0 . 4.82 1907 1709 A 149 TRP HBx A 79 LEU HDx% 1.0 . 4.21 1908 1710 A 108 GLU HBy A 79 LEU HDx% 1.0 . 3.51 1909 1711 A 108 GLU HBx A 79 LEU HDx% 1.0 . 3.53 1910 1712 A 110 ALA HB% A 79 LEU HDx% 1.0 . 3.97 1911 1713 A 32 GLU H A 31 SER HBy 1.0 . 4.47 1912 1714 A 31 SER HBy A 28 ILE HG2% 1.0 . 4.24 1913 1715 A 99 LEU H A 99 LEU HDy% 1.0 . 4.03 1914 1716 A 100 ASP H A 99 LEU HDy% 1.0 . 5.07 1915 1717 A 102 MET H A 99 LEU HDy% 1.0 . 5.29 1916 1718 A 99 LEU HDy% A 131 ALA HA 1.0 . 3.61 1917 1719 A 99 LEU HDy% A 99 LEU HA 1.0 . 3.13 1918 1720 A 151 LYS H A 150 SER HBy 1.0 . 4.61 1919 1721 A 146 VAL HGx% A 150 SER HBy 1.0 . 4.00 1920 1722 A 150 SER HBx A 28 ILE HG12 1.0 . 4.51 1921 1722 A 150 SER HBx A 28 ILE HG13 1.0 . 4.51 1922 1723 A 150 SER HBx A 146 VAL HGx% 1.0 . 3.94 1923 1724 A 111 SER HBx A 139 VAL HGy% 1.0 . 4.38 1924 1725 A 82 ILE H A 111 SER HBx 1.0 . 5.00 1925 1726 A 38 VAL HGx% A 94 PRO HA 1.0 . 4.52 1926 1727 A 39 SER H A 38 VAL HGx% 1.0 . 3.89 1927 1728 A 38 VAL H A 38 VAL HGx% 1.0 . 3.86 1928 1729 A 38 VAL HGx% A 67 ILE HA 1.0 . 3.61 1929 1730 A 38 VAL HA A 38 VAL HGx% 1.0 . 3.20 1930 1731 A 38 VAL HGx% A 94 PRO HDy 1.0 . 5.12 1931 1732 A 110 ALA HB% A 139 VAL HGy% 1.0 . 5.16 1932 1733 A 140 ALA H A 139 VAL HGy% 1.0 . 4.23 1933 1734 A 139 VAL H A 139 VAL HGy% 1.0 . 3.78 1934 1735 A 111 SER H A 139 VAL HGy% 1.0 . 3.99 1935 1736 A 128 ASN HD2y A 139 VAL HGy% 1.0 . 4.52 1936 1737 A 127 PHE HD% A 139 VAL HGy% 1.0 . 4.52 1937 1738 A 139 VAL HA A 139 VAL HGy% 1.0 . 3.50 1938 1739 A 138 GLY HAx A 139 VAL HGy% 1.0 . 4.37 1939 1740 A 111 SER HBy A 139 VAL HGy% 1.0 . 4.00 1940 1741 A 86 VAL HGy% A 114 THR H 1.0 . 4.83 1941 1742 A 86 VAL HGy% A 123 TYR HA 1.0 . 5.13 1942 1743 A 87 TRP H A 86 VAL HGy% 1.0 . 4.77 1943 1744 A 86 VAL HGy% A 115 SER H 1.0 . 5.05 1944 1745 A 86 VAL HGy% A 86 VAL H 1.0 . 3.64 1945 1746 A 113 PHE HD% A 86 VAL HGy% 1.0 . 3.47 1946 1747 A 86 VAL HGy% A 115 SER HBy 1.0 . 3.92 1947 1748 A 86 VAL HA A 86 VAL HGy% 1.0 . 3.17 1948 1749 A 86 VAL HGy% A 123 TYR HBy 1.0 . 4.42 1949 1750 A 86 VAL HGy% A 113 PHE HBy 1.0 . 3.91 1950 1751 A 86 VAL HGy% A 123 TYR HBx 1.0 . 4.91 1951 1752 A 137 ILE H A 136 VAL HGy% 1.0 . 4.10 1952 1753 A 135 ASN H A 136 VAL HGy% 1.0 . 5.50 1953 1754 A 109 VAL H A 136 VAL HGy% 1.0 . 5.19 1954 1755 A 136 VAL H A 136 VAL HGy% 1.0 . 3.28 1955 1756 A 110 ALA HB% A 136 VAL HGy% 1.0 . 5.35 1956 1757 A 11 TYR HBy A 36 VAL HGx% 1.0 . 4.01 1957 1758 A 136 VAL HA A 136 VAL HGy% 1.0 . 3.19 1958 1759 A 37 LYS H A 36 VAL HGx% 1.0 . 3.65 1959 1760 A 36 VAL HGx% A 67 ILE HA 1.0 . 4.51 1960 1761 A 67 ILE HB A 36 VAL HGx% 1.0 . 3.13 1961 1762 A 77 TYR HD% A 7 LEU HD1% 1.0 . 5.03 1962 1762 A 7 LEU HD2% A 77 TYR HD% 1.0 . 5.03 1963 1763 A 34 LYS H A 7 LEU HD1% 1.0 . 4.09 1964 1763 A 7 LEU HD2% A 34 LYS H 1.0 . 4.09 1965 1764 A 8 ILE H A 7 LEU HD1% 1.0 . 3.22 1966 1764 A 8 ILE H A 7 LEU HD2% 1.0 . 3.22 1967 1765 A 33 LEU H A 7 LEU HD1% 1.0 . 5.13 1968 1765 A 7 LEU HD2% A 33 LEU H 1.0 . 5.13 1969 1766 A 32 GLU H A 7 LEU HD1% 1.0 . 4.34 1970 1766 A 7 LEU HD2% A 32 GLU H 1.0 . 4.34 1971 1767 A 9 LEU HA A 7 LEU HD1% 1.0 . 5.01 1972 1767 A 7 LEU HD2% A 9 LEU HA 1.0 . 5.01 1973 1768 A 33 LEU HA A 7 LEU HD1% 1.0 . 4.47 1974 1768 A 7 LEU HD2% A 33 LEU HA 1.0 . 4.47 1975 1769 A 7 LEU HA A 7 LEU HD1% 1.0 . 3.15 1976 1769 A 7 LEU HD2% A 7 LEU HA 1.0 . 3.15 1977 1770 A 34 LYS HEy A 7 LEU HD1% 1.0 . 4.45 1978 1770 A 7 LEU HD2% A 34 LYS HEy 1.0 . 4.45 1979 1771 A 32 GLU HGx A 7 LEU HD1% 1.0 . 4.92 1980 1771 A 7 LEU HD2% A 32 GLU HGx 1.0 . 4.92 1981 1772 A 32 GLU HBx A 7 LEU HD1% 1.0 . 3.24 1982 1772 A 7 LEU HD2% A 32 GLU HBx 1.0 . 3.24 1983 1773 A 7 LEU HBx A 7 LEU HD1% 1.0 . 3.48 1984 1773 A 7 LEU HD2% A 7 LEU HBx 1.0 . 3.48 1985 1774 A 119 ASN H A 118 THR HG2% 1.0 . 3.98 1986 1775 A 118 THR HG2% A 118 THR HA 1.0 . 2.89 1987 1776 A 109 VAL H A 109 VAL HGx% 1.0 . 4.05 1988 1777 A 136 VAL HGx% A 137 ILE HA 1.0 . 4.87 1989 1778 A 137 ILE H A 136 VAL HGx% 1.0 . 3.52 1990 1779 A 110 ALA H A 109 VAL HGx% 1.0 . 3.33 1991 1780 A 136 VAL H A 136 VAL HGx% 1.0 . 4.16 1992 1781 A 111 SER H A 136 VAL HGx% 1.0 . 4.54 1993 1782 A 109 VAL HA A 109 VAL HGx% 1.0 . 3.30 1994 1783 A 136 VAL HGx% A 136 VAL HA 1.0 . 3.00 1995 1784 A 138 GLY HAx A 136 VAL HGx% 1.0 . 4.29 1996 1785 A 80 ILE HG2% A 109 VAL HGx% 1.0 . 3.78 1997 1786 A 110 ALA HB% A 136 VAL HGx% 1.0 . 4.47 1998 1787 A 122 ALA H A 124 VAL HGy% 1.0 . 5.50 1999 1788 A 139 VAL H A 136 VAL HGx% 1.0 . 4.74 2000 1789 A 81 LEU HA A 109 VAL HGx% 1.0 . 5.40 2001 1790 A 26 SER H A 26 SER HBy 1.0 . 3.49 2002 1791 A 40 GLU H A 39 SER HBy 1.0 . 3.71 2003 1792 A 68 GLN HE2y A 39 SER HBy 1.0 . 5.34 2004 1793 A 39 SER H A 39 SER HBy 1.0 . 3.27 2005 1794 A 38 VAL HB A 39 SER HBy 1.0 . 5.09 2006 1795 A 39 SER HBx A 40 GLU HB2 1.0 . 5.10 2007 1795 A 39 SER HBx A 40 GLU HB3 1.0 . 5.10 2008 1796 A 127 PHE HD% A 127 PHE HA 1.0 . 3.62 2009 1797 A 127 PHE HA A 128 ASN HA 1.0 . 5.15 2010 1798 A 127 PHE HA A 131 ALA HB% 1.0 . 4.18 2011 1799 A 123 TYR H A 124 VAL HGy% 1.0 . 5.22 2012 1800 A 124 VAL H A 124 VAL HGy% 1.0 . 2.95 2013 1801 A 124 VAL HGy% A 121 LYS HA 1.0 . 3.65 2014 1802 A 124 VAL HGy% A 124 VAL HA 1.0 . 3.24 2015 1803 A 123 TYR HBy A 124 VAL HGy% 1.0 . 4.16 2016 1804 A 17 THR H A 17 THR HG2% 1.0 . 4.34 2017 1805 A 11 TYR H A 17 THR HG2% 1.0 . 3.97 2018 1806 A 84 SER H A 17 THR HG2% 1.0 . 3.83 2019 1807 A 17 THR HG2% A 10 TYR HD% 1.0 . 4.45 2020 1808 A 17 THR HG2% A 84 SER HA 1.0 . 3.61 2021 1809 A 17 THR HG2% A 18 LYS HA 1.0 . 5.50 2022 1810 A 10 TYR HBy A 17 THR HG2% 1.0 . 4.06 2023 1811 A 10 TYR HBx A 17 THR HG2% 1.0 . 3.68 2024 1812 A 17 THR HG2% A 83 GLY HAx 1.0 . 4.16 2025 1813 A 7 LEU H A 6 THR HA 1.0 . 2.89 2026 1814 A 6 THR HA A 5 LYS HA 1.0 . 4.73 2027 1815 A 6 THR HA A 79 LEU HBy 1.0 . 3.98 2028 1816 A 7 LEU HBy A 6 THR HA 1.0 . 4.55 2029 1817 A 79 LEU HDy% A 6 THR HA 1.0 . 4.75 2030 1818 A 124 VAL HGx% A 128 ASN HD2y 1.0 . 3.71 2031 1819 A 124 VAL HGx% A 125 SER HA 1.0 . 4.03 2032 1820 A 124 VAL HGx% A 121 LYS HA 1.0 . 4.45 2033 1821 A 87 TRP H A 86 VAL HGx% 1.0 . 3.95 2034 1822 A 86 VAL HGx% A 90 TYR H 1.0 . 4.35 2035 1823 A 86 VAL HGx% A 87 TRP HA 1.0 . 3.98 2036 1824 A 86 VAL HA A 86 VAL HGx% 1.0 . 3.39 2037 1825 A 86 VAL HGx% A 119 ASN HBy 1.0 . 3.76 2038 1826 A 86 VAL HGx% A 123 TYR HBy 1.0 . 4.88 2039 1827 A 28 ILE H A 146 VAL HGx% 1.0 . 5.23 2040 1828 A 123 TYR HA A 90 TYR HA 1.0 . 3.99 2041 1829 A 17 THR H A 114 THR HG2% 1.0 . 5.29 2042 1830 A 114 THR HG2% A 17 THR HG2% 1.0 . 3.68 2043 1831 A 139 VAL H A 124 VAL HGx% 1.0 . 4.92 2044 1832 A 124 VAL HGx% A 125 SER HB2 1.0 . 4.89 2045 1832 A 125 SER HB3 A 124 VAL HGx% 1.0 . 4.89 2046 1833 A 124 VAL HGx% A 124 VAL HA 1.0 . 3.25 2047 1834 A 146 VAL HGx% A 147 ASP H 1.0 . 4.03 2048 1835 A 146 VAL HGx% A 146 VAL H 1.0 . 3.70 2049 1836 A 146 VAL HGx% A 147 ASP HA 1.0 . 4.05 2050 1837 A 146 VAL HGx% A 146 VAL HA 1.0 . 3.37 2051 1838 A 146 VAL HGx% A 24 ILE HD1% 1.0 . 4.49 2052 1839 A 50 THR HG2% A 43 PHE HD% 1.0 . 4.17 2053 1840 A 50 THR HG2% A 43 PHE HA 1.0 . 5.18 2054 1841 A 50 THR HG2% A 50 THR HA 1.0 . 3.48 2055 1842 A 50 THR HG2% A 43 PHE HBx 1.0 . 4.61 2056 1843 A 50 THR HG2% A 49 LYS HGx 1.0 . 4.44 2057 1844 A 114 THR HG2% A 115 SER H 1.0 . 4.32 2058 1845 A 114 THR HG2% A 114 THR H 1.0 . 4.23 2059 1846 A 114 THR HG2% A 20 MET H 1.0 . 4.52 2060 1847 A 114 THR HA A 114 THR HG2% 1.0 . 3.58 2061 1848 A 114 THR HG2% A 20 MET HGy 1.0 . 4.28 2062 1849 A 114 THR HG2% A 20 MET HBx 1.0 . 3.90 2063 1850 A 81 LEU H A 6 THR HG2% 1.0 . 3.95 2064 1851 A 7 LEU H A 6 THR HG2% 1.0 . 3.34 2065 1852 A 6 THR HG2% A 32 GLU H 1.0 . 5.01 2066 1853 A 6 THR HA A 6 THR HG2% 1.0 . 3.37 2067 1854 A 80 ILE HA A 6 THR HG2% 1.0 . 4.37 2068 1855 A 6 THR HG2% A 81 LEU HD1% 1.0 . 2.97 2069 1855 A 81 LEU HD2% A 6 THR HG2% 1.0 . 2.97 2070 1856 A 50 THR HG2% A 49 LYS H 1.0 . 5.50 2071 1857 A 137 ILE H A 110 ALA HB% 1.0 . 4.13 2072 1858 A 81 LEU HG A 110 ALA HB% 1.0 . 4.74 2073 1859 A 86 VAL HA A 87 TRP HBy 1.0 . 5.13 2074 1860 A 149 TRP HE1 A 110 ALA HB% 1.0 . 5.15 2075 1861 A 110 ALA H A 110 ALA HB% 1.0 . 3.49 2076 1862 A 111 SER H A 110 ALA HB% 1.0 . 3.32 2077 1863 A 110 ALA HB% A 149 TRP HE3 1.0 . 4.41 2078 1864 A 109 VAL HA A 110 ALA HB% 1.0 . 4.24 2079 1865 A 81 LEU HA A 110 ALA HB% 1.0 . 4.26 2080 1866 A 110 ALA HB% A 149 TRP HBx 1.0 . 4.49 2081 1867 A 110 ALA HB% A 81 LEU HD1% 1.0 . 3.10 2082 1867 A 81 LEU HD2% A 110 ALA HB% 1.0 . 3.10 2083 1868 A 110 ALA HB% A 137 ILE HG12 1.0 . 2.87 2084 1868 A 137 ILE HG13 A 110 ALA HB% 1.0 . 2.87 2085 1869 A 66 GLU H A 65 PRO HA 1.0 . 2.65 2086 1870 A 66 GLU HGy A 65 PRO HA 1.0 . 4.62 2087 1871 A 38 VAL HGx% A 65 PRO HA 1.0 . 5.23 2088 1872 A 64 PHE HD% A 65 PRO HA 1.0 . 5.02 2089 1873 A 51 SER HA A 51 SER HB2 1.0 . 2.78 2090 1873 A 51 SER HA A 51 SER HB3 1.0 . 2.78 2091 1874 A 36 VAL HA A 36 VAL HGx% 1.0 . 3.06 2092 1875 A 122 ALA HB% A 125 SER HB2 1.0 . 5.02 2093 1875 A 125 SER HB3 A 122 ALA HB% 1.0 . 5.02 2094 1876 A 124 VAL HGy% A 125 SER HB2 1.0 . 5.44 2095 1876 A 125 SER HB3 A 124 VAL HGy% 1.0 . 5.44 2096 1877 A 124 VAL HB A 125 SER HB2 1.0 . 4.50 2097 1877 A 125 SER HB3 A 124 VAL HB 1.0 . 4.50 2098 1878 A 74 TYR HD% A 74 TYR HA 1.0 . 3.13 2099 1879 A 74 TYR HA A 72 ILE HG2% 1.0 . 3.95 2100 1880 A 69 LEU HA A 36 VAL HA 1.0 . 4.71 2101 1881 A 37 LYS H A 36 VAL HA 1.0 . 2.84 2102 1882 A 36 VAL HA A 37 LYS HA 1.0 . 4.69 2103 1883 A 36 VAL HA A 35 GLU HG2 1.0 . 4.50 2104 1883 A 36 VAL HA A 35 GLU HG3 1.0 . 4.50 2105 1884 A 39 SER H A 42 THR HG2% 1.0 . 4.83 2106 1885 A 42 THR HG2% A 42 THR H 1.0 . 4.37 2107 1886 A 43 PHE HD% A 42 THR HG2% 1.0 . 3.96 2108 1887 A 42 THR HG2% A 65 PRO HA 1.0 . 4.37 2109 1888 A 42 THR HG2% A 38 VAL HB 1.0 . 3.64 2110 1889 A 65 PRO HBy A 42 THR HG2% 1.0 . 3.45 2111 1890 A 42 THR HG2% A 65 PRO HBx 1.0 . 3.37 2112 1891 A 38 VAL HGx% A 42 THR HG2% 1.0 . 3.70 2113 1892 A 146 VAL H A 144 SER HA 1.0 . 4.91 2114 1893 A 145 GLU HA A 144 SER HA 1.0 . 4.62 2115 1894 A 125 SER HA A 125 SER HB2 1.0 . 2.94 2116 1894 A 125 SER HB3 A 125 SER HA 1.0 . 2.94 2117 1895 A 86 VAL HGy% A 85 PRO HA 1.0 . 5.20 2118 1896 A 137 ILE HB A 137 ILE HA 1.0 . 2.88 2119 1897 A 137 ILE HA A 137 ILE HG12 1.0 . 3.56 2120 1897 A 137 ILE HG13 A 137 ILE HA 1.0 . 3.56 2121 1898 A 110 ALA HB% A 137 ILE HA 1.0 . 5.22 2122 1899 A 124 VAL HB A 125 SER HA 1.0 . 4.87 2123 1900 A 129 GLU H A 125 SER HA 1.0 . 5.37 2124 1901 A 128 ASN HD2y A 125 SER HA 1.0 . 4.60 2125 1902 A 128 ASN HD2x A 125 SER HA 1.0 . 4.71 2126 1903 A 128 ASN HBx A 125 SER HA 1.0 . 4.54 2127 1904 A 39 SER H A 38 VAL HGy% 1.0 . 4.00 2128 1905 A 38 VAL H A 38 VAL HGy% 1.0 . 3.09 2129 1906 A 38 VAL HGy% A 11 TYR HE% 1.0 . 3.84 2130 1907 A 38 VAL HGy% A 37 LYS HA 1.0 . 4.05 2131 1908 A 38 VAL HA A 38 VAL HGy% 1.0 . 3.79 2132 1909 A 39 SER HA A 38 VAL HGy% 1.0 . 5.44 2133 1910 A 42 THR HB A 38 VAL HGy% 1.0 . 3.27 2134 1911 A 42 THR HG2% A 38 VAL HGy% 1.0 . 3.69 2135 1912 A 86 VAL HGx% A 85 PRO HA 1.0 . 5.48 2136 1913 A 13 TRP HB3 A 85 PRO HA 1.0 . 4.16 2137 1914 A 93 THR H A 91 PRO HA 1.0 . 4.13 2138 1915 A 109 VAL H A 137 ILE HA 1.0 . 5.18 2139 1916 A 137 ILE H A 136 VAL HA 1.0 . 2.99 2140 1917 A 109 VAL H A 136 VAL HA 1.0 . 3.67 2141 1918 A 138 GLY H A 136 VAL HA 1.0 . 3.97 2142 1919 A 48 TYR HD% A 48 TYR HA 1.0 . 3.76 2143 1920 A 48 TYR HA A 51 SER HB2 1.0 . 4.04 2144 1920 A 51 SER HB3 A 48 TYR HA 1.0 . 4.04 2145 1921 A 47 MET HGy A 48 TYR HA 1.0 . 5.05 2146 1922 A 51 SER H A 48 TYR HA 1.0 . 3.88 2147 1923 A 21 ALA H A 21 ALA HB% 1.0 . 3.16 2148 1924 A 22 GLU H A 21 ALA HB% 1.0 . 3.59 2149 1925 A 111 SER H A 139 VAL HA 1.0 . 3.44 2150 1926 A 139 VAL HA A 149 TRP HZ2 1.0 . 4.15 2151 1927 A 139 VAL HA A 111 SER HBy 1.0 . 4.37 2152 1928 A 139 VAL HA A 110 ALA HB% 1.0 . 4.95 2153 1929 A 112 PHE HA A 139 VAL HA 1.0 . 4.76 2154 1930 A 20 MET H A 21 ALA HB% 1.0 . 5.50 2155 1931 A 8 ILE HG2% A 10 TYR HA 1.0 . 5.49 2156 1932 A 21 ALA HB% A 18 LYS HA 1.0 . 3.62 2157 1933 A 85 PRO HBy A 13 TRP HA 1.0 . 4.20 2158 1934 A 45 ALA HB% A 46 ASP H 1.0 . 3.75 2159 1935 A 45 ALA HB% A 45 ALA H 1.0 . 2.90 2160 1936 A 45 ALA HB% A 46 ASP HBy 1.0 . 5.06 2161 1937 A 95 ILE HG2% A 99 LEU H 1.0 . 4.50 2162 1938 A 95 ILE HG2% A 95 ILE H 1.0 . 4.16 2163 1939 A 95 ILE HG2% A 95 ILE HA 1.0 . 3.46 2164 1940 A 95 ILE HG2% A 96 LYS HA 1.0 . 5.24 2165 1941 A 95 ILE HG2% A 82 ILE HG2% 1.0 . 3.27 2166 1942 A 95 ILE HG2% A 99 LEU HDx% 1.0 . 3.64 2167 1943 A 95 ILE HG2% A 98 LEU H 1.0 . 4.65 2168 1944 A 24 ILE H A 21 ALA HB% 1.0 . 5.04 2169 1945 A 8 ILE HG2% A 25 ASN HA 1.0 . 5.50 2170 1946 A 131 ALA H A 131 ALA HB% 1.0 . 3.00 2171 1947 A 131 ALA HB% A 99 LEU HDy% 1.0 . 3.77 2172 1948 A 99 LEU HDx% A 131 ALA HB% 1.0 . 3.76 2173 1949 A 115 SER HBx A 116 ALA HB% 1.0 . 4.21 2174 1950 A 116 ALA HB% A 118 THR HG2% 1.0 . 5.34 2175 1951 A 50 THR HG2% A 54 ALA HB% 1.0 . 5.11 2176 1952 A 9 LEU H A 8 ILE HG2% 1.0 . 3.43 2177 1953 A 8 ILE HG2% A 9 LEU HA 1.0 . 5.13 2178 1954 A 33 LEU HA A 8 ILE HG2% 1.0 . 4.27 2179 1955 A 8 ILE HG2% A 8 ILE HA 1.0 . 3.37 2180 1956 A 117 GLY H A 116 ALA HB% 1.0 . 4.20 2181 1957 A 116 ALA H A 116 ALA HB% 1.0 . 3.24 2182 1958 A 116 ALA HB% A 115 SER HA 1.0 . 4.70 2183 1959 A 54 ALA HB% A 54 ALA H 1.0 . 3.02 2184 1960 A 54 ALA HB% A 56 ASP H 1.0 . 4.87 2185 1961 A 54 ALA HB% A 55 LEU HA 1.0 . 5.29 2186 1962 A 54 ALA HB% A 57 GLN HBy 1.0 . 5.16 2187 1963 A 54 ALA HB% A 58 ILE HD1% 1.0 . 4.59 2188 1964 A 82 ILE H A 82 ILE HG2% 1.0 . 4.44 2189 1965 A 82 ILE HG2% A 82 ILE HA 1.0 . 3.43 2190 1966 A 82 ILE HG2% A 83 GLY HAy 1.0 . 5.47 2191 1967 A 83 GLY H A 82 ILE HG2% 1.0 . 3.86 2192 1968 A 10 TYR HA A 82 ILE HG2% 1.0 . 4.43 2193 1969 A 82 ILE HG2% A 84 SER HBy 1.0 . 5.50 2194 1970 A 28 ILE HA A 28 ILE HG12 1.0 . 3.49 2195 1970 A 28 ILE HA A 28 ILE HG13 1.0 . 3.49 2196 1971 A 121 LYS H A 122 ALA HB% 1.0 . 4.97 2197 1972 A 122 ALA H A 122 ALA HB% 1.0 . 2.99 2198 1973 A 123 TYR H A 122 ALA HB% 1.0 . 3.63 2199 1974 A 122 ALA HB% A 119 ASN HBy 1.0 . 4.69 2200 1975 A 122 ALA HB% A 119 ASN HBx 1.0 . 3.96 2201 1976 A 9 LEU H A 82 ILE HG2% 1.0 . 5.24 2202 1977 A 82 ILE HG2% A 10 TYR HBy 1.0 . 5.50 2203 1978 A 111 SER HBx A 82 ILE HG2% 1.0 . 5.33 2204 1979 A 109 VAL HA A 108 GLU HA 1.0 . 4.59 2205 1980 A 7 LEU HBx A 80 ILE HA 1.0 . 4.74 2206 1981 A 125 SER H A 122 ALA HB% 1.0 . 5.13 2207 1982 A 109 VAL HA A 80 ILE HD1% 1.0 . 5.48 2208 1983 A 110 ALA H A 109 VAL HA 1.0 . 2.88 2209 1984 A 81 LEU HA A 109 VAL HA 1.0 . 4.14 2210 1985 A 7 LEU H A 80 ILE HA 1.0 . 3.73 2211 1986 A 80 ILE HA A 6 THR HA 1.0 . 4.29 2212 1987 A 7 LEU HBy A 80 ILE HA 1.0 . 4.44 2213 1988 A 9 LEU H A 8 ILE HA 1.0 . 2.90 2214 1989 A 119 ASN H A 118 THR HA 1.0 . 3.24 2215 1990 A 98 LEU H A 95 ILE HA 1.0 . 3.90 2216 1991 A 30 ASP H A 28 ILE HG2% 1.0 . 4.80 2217 1992 A 29 LYS H A 28 ILE HG2% 1.0 . 3.54 2218 1993 A 31 SER H A 28 ILE HG2% 1.0 . 4.10 2219 1994 A 28 ILE HA A 28 ILE HG2% 1.0 . 3.17 2220 1995 A 29 LYS HA A 28 ILE HG2% 1.0 . 4.04 2221 1996 A 28 ILE HG2% A 29 LYS HE2 1.0 . 5.25 2222 1996 A 29 LYS HE3 A 28 ILE HG2% 1.0 . 5.25 2223 1997 A 28 ILE HD1% A 28 ILE HG2% 1.0 . 2.96 2224 1998 A 24 ILE HG2% A 28 ILE HG2% 1.0 . 5.41 2225 1999 A 32 GLU H A 28 ILE HG2% 1.0 . 5.24 2226 2000 A 28 ILE H A 28 ILE HG2% 1.0 . 4.25 2227 2001 A 137 ILE H A 137 ILE HG2% 1.0 . 3.27 2228 2002 A 109 VAL H A 137 ILE HG2% 1.0 . 3.88 2229 2003 A 136 VAL H A 137 ILE HG2% 1.0 . 5.49 2230 2004 A 135 ASN HD2y A 137 ILE HG2% 1.0 . 4.67 2231 2005 A 108 GLU HA A 137 ILE HG2% 1.0 . 3.46 2232 2006 A 137 ILE HG2% A 137 ILE HA 1.0 . 2.98 2233 2007 A 108 GLU HBx A 137 ILE HG2% 1.0 . 3.56 2234 2008 A 137 ILE HG2% A 137 ILE HG12 1.0 . 2.73 2235 2008 A 137 ILE HG13 A 137 ILE HG2% 1.0 . 2.73 2236 2009 A 110 ALA HB% A 137 ILE HG2% 1.0 . 5.11 2237 2010 A 108 GLU H A 137 ILE HG2% 1.0 . 5.10 2238 2011 A 135 ASN HBy A 137 ILE HG2% 1.0 . 5.09 2239 2012 A 92 ALA H A 92 ALA HB% 1.0 . 3.30 2240 2013 A 93 THR H A 92 ALA HB% 1.0 . 3.60 2241 2014 A 94 PRO HDy A 92 ALA HB% 1.0 . 3.94 2242 2015 A 92 ALA HB% A 94 PRO HB2 1.0 . 3.70 2243 2015 A 94 PRO HB3 A 92 ALA HB% 1.0 . 3.70 2244 2016 A 85 PRO HBx A 92 ALA HB% 1.0 . 4.78 2245 2017 A 109 VAL HA A 108 GLU H 1.0 . 5.28 2246 2018 A 73 ASP H A 72 ILE HA 1.0 . 2.71 2247 2019 A 121 LYS HA A 124 VAL HB 1.0 . 3.59 2248 2020 A 23 LYS HBx A 23 LYS HA 1.0 . 2.88 2249 2021 A 99 LEU H A 95 ILE HA 1.0 . 4.39 2250 2022 A 98 LEU HBy A 95 ILE HA 1.0 . 3.50 2251 2023 A 73 ASP H A 72 ILE HG2% 1.0 . 3.39 2252 2024 A 72 ILE H A 72 ILE HG2% 1.0 . 4.10 2253 2025 A 74 TYR H A 72 ILE HG2% 1.0 . 4.09 2254 2026 A 71 ASN HA A 72 ILE HG2% 1.0 . 5.50 2255 2027 A 72 ILE HG2% A 72 ILE HA 1.0 . 3.14 2256 2028 A 73 ASP HBy A 72 ILE HG2% 1.0 . 4.24 2257 2029 A 72 ILE HG2% A 72 ILE HG1y 1.0 . 3.78 2258 2030 A 72 ILE HG2% A 72 ILE HD1% 1.0 . 3.30 2259 2031 A 82 ILE HA A 82 ILE HG1y 1.0 . 3.67 2260 2032 A 19 LYS H A 16 GLU HA 1.0 . 4.00 2261 2033 A 73 ASP HBy A 72 ILE HA 1.0 . 4.28 2262 2034 A 26 SER H A 23 LYS HA 1.0 . 4.33 2263 2035 A 96 LYS HA A 96 LYS HGy 1.0 . 3.97 2264 2036 A 99 LEU H A 96 LYS HA 1.0 . 4.23 2265 2037 A 96 LYS HA A 99 LEU HBy 1.0 . 3.87 2266 2038 A 12 SER HA A 18 LYS HA 1.0 . 5.08 2267 2039 A 18 LYS HGy A 18 LYS HA 1.0 . 3.73 2268 2040 A 12 SER HBy A 18 LYS HA 1.0 . 4.63 2269 2041 A 83 GLY H A 82 ILE HA 1.0 . 3.14 2270 2042 A 79 LEU HDy% A 150 SER HA 1.0 . 3.46 2271 2043 A 50 THR HG2% A 47 MET HA 1.0 . 4.98 2272 2044 A 20 MET H A 18 LYS HA 1.0 . 4.98 2273 2045 A 21 ALA H A 18 LYS HA 1.0 . 4.55 2274 2046 A 22 GLU H A 18 LYS HA 1.0 . 5.50 2275 2047 A 53 ILE H A 53 ILE HG2% 1.0 . 4.00 2276 2048 A 53 ILE HG2% A 43 PHE HD% 1.0 . 3.58 2277 2049 A 53 ILE HG2% A 57 GLN HE22 1.0 . 3.99 2278 2049 A 53 ILE HG2% A 57 GLN HE21 1.0 . 3.99 2279 2050 A 53 ILE HG2% A 43 PHE HA 1.0 . 4.30 2280 2051 A 53 ILE HG2% A 54 ALA HA 1.0 . 4.25 2281 2052 A 53 ILE HG2% A 53 ILE HA 1.0 . 3.23 2282 2053 A 56 ASP HBy A 53 ILE HG2% 1.0 . 4.39 2283 2054 A 53 ILE HG2% A 42 THR HG2% 1.0 . 4.77 2284 2055 A 131 ALA H A 129 GLU HA 1.0 . 5.35 2285 2056 A 129 GLU HGy A 129 GLU HA 1.0 . 3.50 2286 2057 A 129 GLU HBy A 129 GLU HA 1.0 . 2.96 2287 2058 A 19 LYS HA A 22 GLU HGx 1.0 . 3.55 2288 2059 A 19 LYS HA A 19 LYS HGx 1.0 . 3.57 2289 2060 A 50 THR H A 47 MET HA 1.0 . 4.84 2290 2061 A 46 ASP HA A 47 MET HA 1.0 . 4.85 2291 2062 A 67 ILE HG2% A 67 ILE H 1.0 . 3.67 2292 2063 A 67 ILE HG2% A 98 LEU H 1.0 . 4.43 2293 2064 A 97 THR H A 67 ILE HG2% 1.0 . 4.87 2294 2065 A 67 ILE HG2% A 67 ILE HA 1.0 . 3.18 2295 2066 A 38 VAL HA A 67 ILE HG2% 1.0 . 5.19 2296 2067 A 67 ILE HG2% A 66 GLU HA 1.0 . 4.33 2297 2068 A 97 THR HB A 67 ILE HG2% 1.0 . 3.45 2298 2069 A 67 ILE HG2% A 98 LEU HA 1.0 . 5.01 2299 2070 A 67 ILE HG2% A 67 ILE HG1x 1.0 . 3.27 2300 2070 A 67 ILE HG1y A 67 ILE HG2% 1.0 . 3.27 2301 2071 A 38 VAL HGx% A 67 ILE HG2% 1.0 . 3.46 2302 2072 A 24 ILE HG2% A 146 VAL HA 1.0 . 5.50 2303 2073 A 24 ILE H A 24 ILE HG2% 1.0 . 4.10 2304 2074 A 25 ASN H A 24 ILE HG2% 1.0 . 4.28 2305 2075 A 27 GLU H A 24 ILE HG2% 1.0 . 5.17 2306 2076 A 25 ASN HA A 24 ILE HG2% 1.0 . 4.45 2307 2077 A 21 ALA HA A 24 ILE HG2% 1.0 . 4.80 2308 2078 A 24 ILE HA A 24 ILE HG2% 1.0 . 3.54 2309 2079 A 24 ILE HG2% A 28 ILE HG12 1.0 . 3.92 2310 2079 A 28 ILE HG13 A 24 ILE HG2% 1.0 . 3.92 2311 2080 A 24 ILE HD1% A 24 ILE HG2% 1.0 . 3.27 2312 2081 A 114 THR HA A 141 ARG HGy 1.0 . 4.85 2313 2082 A 39 SER HA A 38 VAL H 1.0 . 5.15 2314 2083 A 49 LYS HA A 52 ASP H 1.0 . 3.89 2315 2084 A 49 LYS HA A 49 LYS HE2 1.0 . 4.71 2316 2084 A 49 LYS HA A 49 LYS HE3 1.0 . 4.71 2317 2085 A 49 LYS HA A 49 LYS HGx 1.0 . 3.49 2318 2086 A 49 LYS HA A 53 ILE HD1% 1.0 . 4.79 2319 2087 A 19 LYS HA A 18 LYS HA 1.0 . 4.81 2320 2088 A 22 GLU HA A 25 ASN HBx 1.0 . 3.75 2321 2089 A 22 GLU HA A 22 GLU HGy 1.0 . 3.76 2322 2090 A 22 GLU HA A 25 ASN H 1.0 . 3.99 2323 2091 A 22 GLU HA A 25 ASN HBy 1.0 . 3.45 2324 2092 A 68 GLN H A 67 ILE HG2% 1.0 . 3.85 2325 2093 A 146 VAL H A 24 ILE HG2% 1.0 . 5.30 2326 2094 A 68 GLN H A 67 ILE HA 1.0 . 2.94 2327 2095 A 67 ILE HA A 66 GLU HA 1.0 . 5.23 2328 2096 A 39 SER H A 38 VAL HA 1.0 . 3.00 2329 2097 A 58 ILE HG2% A 58 ILE H 1.0 . 3.82 2330 2098 A 58 ILE HG2% A 59 GLN HA 1.0 . 4.04 2331 2099 A 58 ILE HG2% A 55 LEU HA 1.0 . 4.09 2332 2100 A 58 ILE HG2% A 58 ILE HA 1.0 . 3.35 2333 2101 A 58 ILE HG2% A 59 GLN HGy 1.0 . 4.47 2334 2102 A 58 ILE HG2% A 59 GLN HGx 1.0 . 4.48 2335 2103 A 58 ILE HG2% A 55 LEU HDy% 1.0 . 3.45 2336 2104 A 58 ILE HG2% A 58 ILE HD1% 1.0 . 3.34 2337 2105 A 38 VAL HA A 67 ILE HA 1.0 . 3.76 2338 2106 A 39 SER HA A 68 GLN HE2x 1.0 . 4.68 2339 2107 A 39 SER HA A 39 SER HBx 1.0 . 2.83 2340 2108 A 103 LYS HA A 103 LYS HBx 1.0 . 2.86 2341 2109 A 64 PHE HD% A 64 PHE HA 1.0 . 4.19 2342 2110 A 64 PHE HA A 65 PRO HDy 1.0 . 3.59 2343 2111 A 57 GLN HBx A 64 PHE HA 1.0 . 4.11 2344 2112 A 64 PHE HA A 57 GLN HE22 1.0 . 4.75 2345 2112 A 57 GLN HE21 A 64 PHE HA 1.0 . 4.75 2346 2113 A 57 GLN HBy A 64 PHE HA 1.0 . 4.70 2347 2114 A 80 ILE HG2% A 81 LEU H 1.0 . 3.44 2348 2115 A 80 ILE HG2% A 80 ILE H 1.0 . 4.94 2349 2116 A 80 ILE HG2% A 74 TYR HD% 1.0 . 4.97 2350 2117 A 80 ILE HG2% A 80 ILE HA 1.0 . 3.36 2351 2118 A 80 ILE HG2% A 82 ILE HG1y 1.0 . 3.74 2352 2119 A 80 ILE HG2% A 82 ILE HD1% 1.0 . 3.07 2353 2120 A 80 ILE HG2% A 80 ILE HD1% 1.0 . 3.24 2354 2121 A 7 LEU HBx A 80 ILE HG2% 1.0 . 5.33 2355 2122 A 80 ILE HG2% A 74 TYR HE% 1.0 . 5.50 2356 2123 A 80 ILE HG2% A 8 ILE HA 1.0 . 4.68 2357 2124 A 40 GLU HA A 40 GLU HB2 1.0 . 2.86 2358 2124 A 40 GLU HB3 A 40 GLU HA 1.0 . 2.86 2359 2125 A 42 THR H A 40 GLU HA 1.0 . 3.95 2360 2126 A 151 LYS H A 148 LYS HA 1.0 . 4.73 2361 2127 A 48 TYR H A 47 MET HE% 1.0 . 4.80 2362 2128 A 105 TYR HA A 104 ASN H 1.0 . 5.11 2363 2129 A 75 ASN HD2x A 105 TYR HA 1.0 . 3.98 2364 2130 A 129 GLU H A 126 HIS HA 1.0 . 3.84 2365 2131 A 129 GLU HBy A 126 HIS HA 1.0 . 3.37 2366 2132 A 29 LYS HA A 29 LYS HGy 1.0 . 3.33 2367 2132 A 29 LYS HA A 29 LYS HGx 1.0 . 3.33 2368 2133 A 148 LYS HA A 147 ASP HB2 1.0 . 4.56 2369 2133 A 147 ASP HB3 A 148 LYS HA 1.0 . 4.56 2370 2134 A 148 LYS HA A 148 LYS HB2 1.0 . 2.67 2371 2134 A 148 LYS HB3 A 148 LYS HA 1.0 . 2.67 2372 2135 A 101 GLN HGy A 98 LEU HA 1.0 . 4.77 2373 2136 A 98 LEU HG A 98 LEU HA 1.0 . 3.83 2374 2137 A 98 LEU HA A 98 LEU HD1% 1.0 . 3.21 2375 2137 A 98 LEU HD2% A 98 LEU HA 1.0 . 3.21 2376 2138 A 47 MET H A 47 MET HE% 1.0 . 4.92 2377 2139 A 48 TYR HD% A 47 MET HE% 1.0 . 4.26 2378 2140 A 48 TYR HE% A 47 MET HE% 1.0 . 3.62 2379 2141 A 47 MET HA A 47 MET HE% 1.0 . 4.84 2380 2142 A 47 MET HE% A 47 MET HBx 1.0 . 3.35 2381 2143 A 47 MET HGy A 47 MET HE% 1.0 . 3.44 2382 2144 A 78 ASP H A 77 TYR HA 1.0 . 3.20 2383 2145 A 77 TYR HA A 5 LYS HB2 1.0 . 3.42 2384 2145 A 5 LYS HB3 A 77 TYR HA 1.0 . 3.42 2385 2146 A 151 LYS HA A 151 LYS HG2 1.0 . 3.47 2386 2146 A 151 LYS HG3 A 151 LYS HA 1.0 . 3.47 2387 2147 A 55 LEU HA A 57 GLN H 1.0 . 4.87 2388 2148 A 7 LEU H A 77 TYR HA 1.0 . 4.87 2389 2149 A 77 TYR HA A 77 TYR HD% 1.0 . 4.22 2390 2150 A 77 TYR HA A 80 ILE HG12 1.0 . 4.72 2391 2150 A 80 ILE HG13 A 77 TYR HA 1.0 . 4.72 2392 2151 A 151 LYS HA A 151 LYS HD2 1.0 . 3.93 2393 2151 A 151 LYS HD3 A 151 LYS HA 1.0 . 3.93 2394 2152 A 151 LYS HBx A 151 LYS HA 1.0 . 2.91 2395 2153 A 98 LEU HBy A 99 LEU HA 1.0 . 4.43 2396 2154 A 99 LEU HG A 99 LEU HA 1.0 . 4.07 2397 2155 A 99 LEU HA A 102 MET HE% 1.0 . 4.69 2398 2156 A 99 LEU HA A 102 MET HGx 1.0 . 4.48 2399 2157 A 102 MET H A 99 LEU HA 1.0 . 4.04 2400 2158 A 8 ILE H A 8 ILE HD1% 1.0 . 3.96 2401 2159 A 8 ILE HD1% A 25 ASN HD2y 1.0 . 3.98 2402 2160 A 25 ASN HD2x A 8 ILE HD1% 1.0 . 4.45 2403 2161 A 33 LEU HA A 8 ILE HD1% 1.0 . 4.68 2404 2162 A 8 ILE HA A 8 ILE HD1% 1.0 . 4.26 2405 2163 A 25 ASN HA A 8 ILE HD1% 1.0 . 3.23 2406 2164 A 31 SER HBx A 8 ILE HD1% 1.0 . 3.67 2407 2165 A 8 ILE HD1% A 25 ASN HBy 1.0 . 4.09 2408 2166 A 8 ILE HD1% A 24 ILE HG2% 1.0 . 3.68 2409 2167 A 8 ILE HD1% A 24 ILE HD1% 1.0 . 5.31 2410 2168 A 86 VAL HGx% A 115 SER HA 1.0 . 5.50 2411 2169 A 117 GLY H A 115 SER HA 1.0 . 4.63 2412 2170 A 116 ALA H A 115 SER HA 1.0 . 3.23 2413 2171 A 86 VAL H A 115 SER HA 1.0 . 4.33 2414 2172 A 86 VAL HB A 115 SER HA 1.0 . 4.28 2415 2173 A 86 VAL HGy% A 115 SER HA 1.0 . 4.66 2416 2174 A 6 THR H A 5 LYS HA 1.0 . 2.76 2417 2175 A 29 LYS H A 28 ILE HD1% 1.0 . 4.77 2418 2176 A 28 ILE HA A 28 ILE HD1% 1.0 . 3.99 2419 2177 A 150 SER HBy A 28 ILE HD1% 1.0 . 5.06 2420 2178 A 150 SER HBx A 28 ILE HD1% 1.0 . 4.28 2421 2179 A 24 ILE HD1% A 28 ILE HD1% 1.0 . 5.49 2422 2180 A 61 ASN HBx A 56 ASP HA 1.0 . 3.88 2423 2181 A 61 ASN HD2x A 56 ASP HA 1.0 . 3.09 2424 2182 A 55 LEU HBx A 52 ASP HA 1.0 . 3.73 2425 2183 A 55 LEU H A 52 ASP HA 1.0 . 4.30 2426 2184 A 55 LEU HBy A 52 ASP HA 1.0 . 3.60 2427 2185 A 120 HIS HA A 123 TYR HBy 1.0 . 3.84 2428 2186 A 120 HIS HA A 124 VAL HGy% 1.0 . 5.50 2429 2187 A 28 ILE H A 28 ILE HD1% 1.0 . 4.39 2430 2188 A 24 ILE HG2% A 28 ILE HD1% 1.0 . 3.44 2431 2189 A 131 ALA HA A 132 ASP HA 1.0 . 4.78 2432 2190 A 100 ASP HA A 100 ASP HBx 1.0 . 2.93 2433 2191 A 133 GLY H A 132 ASP HA 1.0 . 2.71 2434 2192 A 62 LYS HBx A 57 GLN HA 1.0 . 3.97 2435 2193 A 62 LYS H A 57 GLN HA 1.0 . 3.54 2436 2194 A 131 ALA H A 128 ASN HA 1.0 . 4.07 2437 2195 A 127 PHE HD% A 128 ASN HA 1.0 . 4.68 2438 2196 A 131 ALA HB% A 128 ASN HA 1.0 . 3.40 2439 2197 A 122 ALA H A 120 HIS HA 1.0 . 4.91 2440 2198 A 131 ALA HB% A 132 ASP HA 1.0 . 5.46 2441 2199 A 131 ALA H A 132 ASP HA 1.0 . 4.28 2442 2200 A 132 ASP HA A 133 GLY HAx 1.0 . 5.07 2443 2201 A 108 GLU HA A 135 ASN HD2x 1.0 . 3.64 2444 2202 A 61 ASN H A 59 GLN HA 1.0 . 4.96 2445 2203 A 59 GLN HGy A 59 GLN HA 1.0 . 3.59 2446 2204 A 59 GLN HGx A 59 GLN HA 1.0 . 3.20 2447 2205 A 53 ILE HD1% A 54 ALA H 1.0 . 4.62 2448 2206 A 53 ILE H A 53 ILE HD1% 1.0 . 3.55 2449 2207 A 53 ILE HD1% A 43 PHE HD% 1.0 . 4.02 2450 2208 A 53 ILE HD1% A 43 PHE HA 1.0 . 3.33 2451 2209 A 53 ILE HD1% A 49 LYS HE2 1.0 . 5.07 2452 2209 A 53 ILE HD1% A 49 LYS HE3 1.0 . 5.07 2453 2210 A 53 ILE HD1% A 44 ASP HBy 1.0 . 4.79 2454 2211 A 53 ILE HD1% A 44 ASP HBx 1.0 . 3.53 2455 2212 A 53 ILE HD1% A 49 LYS HGy 1.0 . 3.15 2456 2213 A 53 ILE HD1% A 42 THR HG2% 1.0 . 5.46 2457 2214 A 50 THR HG2% A 53 ILE HD1% 1.0 . 4.96 2458 2215 A 9 LEU H A 82 ILE HD1% 1.0 . 5.16 2459 2216 A 82 ILE H A 82 ILE HD1% 1.0 . 4.30 2460 2217 A 82 ILE HA A 82 ILE HD1% 1.0 . 4.25 2461 2218 A 95 ILE HG2% A 82 ILE HD1% 1.0 . 3.71 2462 2219 A 83 GLY H A 82 ILE HD1% 1.0 . 5.11 2463 2220 A 80 ILE HA A 82 ILE HD1% 1.0 . 5.24 2464 2221 A 5 LYS H A 4 LYS HA 1.0 . 2.83 2465 2222 A 78 ASP H A 4 LYS HA 1.0 . 5.00 2466 2223 A 53 ILE HD1% A 44 ASP HA 1.0 . 5.18 2467 2224 A 137 ILE HD1% A 149 TRP HE3 1.0 . 5.47 2468 2225 A 137 ILE HD1% A 137 ILE H 1.0 . 3.63 2469 2226 A 137 ILE HD1% A 109 VAL H 1.0 . 4.94 2470 2227 A 149 TRP H A 137 ILE HD1% 1.0 . 4.78 2471 2228 A 137 ILE HD1% A 149 TRP HA 1.0 . 3.28 2472 2229 A 137 ILE HD1% A 137 ILE HA 1.0 . 4.22 2473 2230 A 137 ILE HD1% A 149 TRP HBy 1.0 . 4.31 2474 2231 A 137 ILE HD1% A 149 TRP HBx 1.0 . 3.72 2475 2232 A 137 ILE HD1% A 108 GLU HBx 1.0 . 3.79 2476 2233 A 137 ILE HD1% A 110 ALA HB% 1.0 . 3.73 2477 2234 A 12 SER HA A 17 THR HB 1.0 . 3.20 2478 2235 A 150 SER H A 149 TRP HA 1.0 . 3.42 2479 2236 A 72 ILE H A 72 ILE HD1% 1.0 . 4.32 2480 2237 A 74 TYR HE% A 72 ILE HD1% 1.0 . 3.98 2481 2238 A 71 ASN HA A 72 ILE HD1% 1.0 . 4.82 2482 2239 A 72 ILE HD1% A 72 ILE HA 1.0 . 3.95 2483 2240 A 70 ASP HBy A 72 ILE HD1% 1.0 . 5.24 2484 2241 A 72 ILE HD1% A 34 LYS HD2 1.0 . 4.14 2485 2241 A 72 ILE HD1% A 34 LYS HD3 1.0 . 4.14 2486 2242 A 72 ILE HD1% A 72 ILE HB 1.0 . 2.95 2487 2243 A 108 GLU HA A 135 ASN HD2y 1.0 . 4.03 2488 2244 A 149 TRP HE1 A 149 TRP HA 1.0 . 4.65 2489 2245 A 30 ASP H A 30 ASP HA 1.0 . 2.76 2490 2246 A 31 SER H A 30 ASP HA 1.0 . 3.45 2491 2247 A 67 ILE H A 66 GLU HA 1.0 . 2.77 2492 2248 A 66 GLU HGx A 66 GLU HA 1.0 . 3.69 2493 2249 A 142 ASP H A 20 MET HE% 1.0 . 4.84 2494 2250 A 21 ALA H A 20 MET HE% 1.0 . 5.09 2495 2251 A 143 ASP H A 20 MET HE% 1.0 . 3.71 2496 2252 A 20 MET H A 20 MET HE% 1.0 . 3.90 2497 2253 A 20 MET HA A 20 MET HE% 1.0 . 3.22 2498 2254 A 20 MET HE% A 142 ASP HA 1.0 . 3.49 2499 2255 A 142 ASP HBx A 20 MET HE% 1.0 . 3.59 2500 2256 A 20 MET HBx A 20 MET HE% 1.0 . 2.83 2501 2257 A 114 THR HG2% A 20 MET HE% 1.0 . 3.71 2502 2258 A 24 ILE HD1% A 20 MET HE% 1.0 . 5.02 2503 2259 A 29 LYS HA A 30 ASP HA 1.0 . 4.41 2504 2260 A 30 ASP HA A 30 ASP HB2 1.0 . 2.86 2505 2260 A 30 ASP HB3 A 30 ASP HA 1.0 . 2.86 2506 2261 A 89 GLY H A 90 TYR HA 1.0 . 5.29 2507 2262 A 104 ASN H A 102 MET HA 1.0 . 4.48 2508 2263 A 105 TYR H A 102 MET HA 1.0 . 4.76 2509 2264 A 74 TYR HE% A 102 MET HA 1.0 . 4.45 2510 2265 A 102 MET HA A 102 MET HGx 1.0 . 3.65 2511 2266 A 20 MET HGy A 142 ASP HA 1.0 . 3.62 2512 2267 A 114 THR HG2% A 142 ASP HA 1.0 . 4.49 2513 2268 A 24 ILE HD1% A 142 ASP HA 1.0 . 5.46 2514 2269 A 68 GLN HA A 67 ILE HD1% 1.0 . 5.50 2515 2270 A 36 VAL H A 10 TYR HA 1.0 . 5.16 2516 2271 A 67 ILE HA A 67 ILE HD1% 1.0 . 4.48 2517 2272 A 68 GLN H A 67 ILE HD1% 1.0 . 4.64 2518 2273 A 67 ILE H A 67 ILE HD1% 1.0 . 4.04 2519 2274 A 98 LEU H A 67 ILE HD1% 1.0 . 3.95 2520 2275 A 101 GLN HE2y A 67 ILE HD1% 1.0 . 4.82 2521 2276 A 101 GLN HE2x A 67 ILE HD1% 1.0 . 4.43 2522 2277 A 97 THR HB A 67 ILE HD1% 1.0 . 4.19 2523 2278 A 98 LEU HA A 67 ILE HD1% 1.0 . 3.29 2524 2279 A 101 GLN HGy A 67 ILE HD1% 1.0 . 5.02 2525 2280 A 67 ILE HB A 67 ILE HD1% 1.0 . 3.20 2526 2281 A 83 GLY H A 10 TYR HA 1.0 . 3.48 2527 2282 A 106 ARG HA A 106 ARG HDx 1.0 . 4.20 2528 2283 A 10 TYR HA A 82 ILE HA 1.0 . 4.92 2529 2284 A 75 ASN HA A 75 ASN HD2y 1.0 . 3.68 2530 2285 A 20 MET HA A 24 ILE HG1y 1.0 . 4.17 2531 2286 A 35 GLU HA A 9 LEU HA 1.0 . 4.93 2532 2287 A 80 ILE H A 80 ILE HD1% 1.0 . 4.69 2533 2288 A 7 LEU H A 80 ILE HD1% 1.0 . 5.06 2534 2289 A 80 ILE HA A 80 ILE HD1% 1.0 . 4.24 2535 2290 A 80 ILE HD1% A 74 TYR HA 1.0 . 3.90 2536 2291 A 80 ILE HB A 80 ILE HD1% 1.0 . 3.07 2537 2292 A 36 VAL H A 35 GLU HA 1.0 . 2.98 2538 2293 A 35 GLU HA A 35 GLU HB2 1.0 . 2.91 2539 2293 A 35 GLU HB3 A 35 GLU HA 1.0 . 2.91 2540 2294 A 36 VAL HGy% A 35 GLU HA 1.0 . 4.26 2541 2295 A 42 THR HG2% A 43 PHE HA 1.0 . 4.77 2542 2296 A 25 ASN HA A 25 ASN HD2y 1.0 . 3.37 2543 2297 A 25 ASN HD2x A 25 ASN HA 1.0 . 3.74 2544 2298 A 21 ALA HA A 24 ILE H 1.0 . 4.09 2545 2299 A 21 ALA HA A 10 TYR HD% 1.0 . 3.76 2546 2300 A 21 ALA HA A 20 MET HGx 1.0 . 5.08 2547 2301 A 21 ALA HA A 24 ILE HB 1.0 . 3.56 2548 2302 A 21 ALA HA A 24 ILE HD1% 1.0 . 4.20 2549 2303 A 21 ALA HA A 25 ASN H 1.0 . 4.53 2550 2304 A 38 VAL H A 37 LYS HA 1.0 . 2.88 2551 2305 A 37 LYS HA A 37 LYS HG2 1.0 . 3.42 2552 2305 A 37 LYS HG3 A 37 LYS HA 1.0 . 3.42 2553 2306 A 35 GLU H A 34 LYS HA 1.0 . 2.83 2554 2307 A 34 LYS HGy A 34 LYS HA 1.0 . 4.05 2555 2308 A 34 LYS HA A 7 LEU HD1% 1.0 . 4.70 2556 2308 A 7 LEU HD2% A 34 LYS HA 1.0 . 4.70 2557 2309 A 20 MET HA A 23 LYS HBy 1.0 . 3.20 2558 2310 A 20 MET HA A 24 ILE HD1% 1.0 . 5.06 2559 2311 A 57 GLN HBy A 54 ALA HA 1.0 . 3.79 2560 2312 A 58 ILE HD1% A 130 TRP HZ2 1.0 . 3.98 2561 2313 A 58 ILE HD1% A 90 TYR HD% 1.0 . 4.37 2562 2314 A 55 LEU HA A 58 ILE HD1% 1.0 . 3.60 2563 2315 A 58 ILE HD1% A 58 ILE HA 1.0 . 4.15 2564 2316 A 58 ILE HD1% A 90 TYR HBy 1.0 . 4.31 2565 2317 A 58 ILE HD1% A 90 TYR HBx 1.0 . 4.17 2566 2318 A 57 GLN HBy A 58 ILE HD1% 1.0 . 5.50 2567 2319 A 58 ILE HD1% A 93 THR HG2% 1.0 . 3.71 2568 2320 A 58 ILE HB A 58 ILE HD1% 1.0 . 2.94 2569 2321 A 119 ASN HA A 122 ALA HB% 1.0 . 4.48 2570 2322 A 145 GLU HA A 145 GLU HGx 1.0 . 3.18 2571 2323 A 141 ARG HA A 142 ASP HA 1.0 . 4.62 2572 2324 A 112 PHE HA A 141 ARG HA 1.0 . 4.75 2573 2325 A 141 ARG HA A 141 ARG HGy 1.0 . 4.25 2574 2326 A 141 ARG HA A 141 ARG HGx 1.0 . 3.90 2575 2327 A 113 PHE HD% A 141 ARG HA 1.0 . 5.28 2576 2328 A 70 ASP HBy A 70 ASP HA 1.0 . 2.92 2577 2329 A 125 SER H A 122 ALA HA 1.0 . 3.70 2578 2330 A 122 ALA HA A 125 SER HB2 1.0 . 3.27 2579 2330 A 125 SER HB3 A 122 ALA HA 1.0 . 3.27 2580 2331 A 69 LEU HDy% A 70 ASP HA 1.0 . 5.50 2581 2332 A 72 ILE H A 71 ASN HA 1.0 . 2.61 2582 2333 A 121 LYS H A 122 ALA HA 1.0 . 5.39 2583 2334 A 82 ILE H A 111 SER HA 1.0 . 3.51 2584 2335 A 11 TYR H A 84 SER HA 1.0 . 4.28 2585 2336 A 84 SER HA A 11 TYR HDx 1.0 . 5.12 2586 2337 A 84 SER HA A 94 PRO HB2 1.0 . 4.54 2587 2337 A 94 PRO HB3 A 84 SER HA 1.0 . 4.54 2588 2338 A 8 ILE H A 33 LEU HA 1.0 . 3.91 2589 2339 A 61 ASN HA A 60 GLY HA2 1.0 . 4.73 2590 2339 A 60 GLY HA3 A 61 ASN HA 1.0 . 4.73 2591 2340 A 87 TRP HE1 A 45 ALA HA 1.0 . 4.67 2592 2341 A 87 TRP HZ2 A 45 ALA HA 1.0 . 3.91 2593 2342 A 46 ASP HA A 45 ALA HA 1.0 . 4.71 2594 2343 A 111 SER HA A 82 ILE HB 1.0 . 4.04 2595 2344 A 33 LEU HA A 32 GLU HA 1.0 . 4.94 2596 2345 A 8 ILE HB A 33 LEU HA 1.0 . 3.43 2597 2346 A 79 LEU HA A 108 GLU HBy 1.0 . 4.16 2598 2347 A 79 LEU HA A 108 GLU H 1.0 . 3.64 2599 2348 A 47 MET H A 46 ASP HA 1.0 . 3.03 2600 2349 A 63 ASP H A 62 LYS HA 1.0 . 2.81 2601 2350 A 63 ASP HBx A 62 LYS HA 1.0 . 5.09 2602 2351 A 76 ASN HD2x A 76 ASN HA 1.0 . 4.93 2603 2352 A 76 ASN HD2y A 76 ASN HA 1.0 . 4.76 2604 2353 A 24 ILE H A 24 ILE HD1% 1.0 . 4.14 2605 2354 A 24 ILE HD1% A 143 ASP HA 1.0 . 3.87 2606 2355 A 24 ILE HD1% A 20 MET HGy 1.0 . 4.64 2607 2356 A 24 ILE HD1% A 20 MET HGx 1.0 . 3.52 2608 2357 A 24 ILE HB A 24 ILE HD1% 1.0 . 3.44 2609 2358 A 8 ILE HG2% A 24 ILE HD1% 1.0 . 4.66 2610 2359 A 86 VAL HGy% A 113 PHE HA 1.0 . 4.92 2611 2360 A 114 THR HG2% A 113 PHE HA 1.0 . 5.27 2612 2361 A 113 PHE HA A 83 GLY HAy 1.0 . 4.83 2613 2362 A 113 PHE HA A 17 THR HG2% 1.0 . 5.30 2614 2363 A 45 ALA H A 44 ASP HA 1.0 . 2.92 2615 2364 A 45 ALA HB% A 44 ASP HA 1.0 . 4.29 2616 2365 A 8 ILE H A 7 LEU HA 1.0 . 3.06 2617 2366 A 7 LEU HA A 9 LEU HD1% 1.0 . 4.57 2618 2366 A 7 LEU HA A 9 LEU HDy% 1.0 . 4.57 2619 2367 A 9 LEU HG A 9 LEU HA 1.0 . 4.27 2620 2368 A 34 LYS H A 9 LEU HA 1.0 . 3.87 2621 2369 A 10 TYR H A 9 LEU HA 1.0 . 3.03 2622 2370 A 32 GLU HBx A 7 LEU HA 1.0 . 3.42 2623 2371 A 8 ILE HA A 9 LEU HA 1.0 . 4.54 2624 2372 A 81 LEU HA A 82 ILE H 1.0 . 2.94 2625 2373 A 81 LEU HA A 81 LEU HD1% 1.0 . 3.50 2626 2373 A 81 LEU HA A 81 LEU HD2% 1.0 . 3.50 2627 2374 A 117 GLY HAx A 116 ALA HA 1.0 . 4.64 2628 2375 A 93 THR H A 92 ALA HA 1.0 . 3.12 2629 2376 A 92 ALA HA A 87 TRP HZ3 1.0 . 4.89 2630 2377 A 87 TRP HBy A 92 ALA HA 1.0 . 4.26 2631 2378 A 93 THR HG2% A 92 ALA HA 1.0 . 4.59 2632 2379 A 54 ALA HB% A 92 ALA HA 1.0 . 4.92 2633 2380 A 136 VAL H A 135 ASN HA 1.0 . 2.91 2634 2381 A 73 ASP HA A 72 ILE HG2% 1.0 . 3.97 2635 2382 A 4 LYS HDy A 3 ALA HA 1.0 . 4.68 2636 2383 A 4 LYS H A 3 ALA HA 1.0 . 2.54 2637 2384 A 87 TRP HBx A 92 ALA HA 1.0 . 5.50 2638 2385 A 74 TYR H A 73 ASP HA 1.0 . 2.91 2639 2386 A 112 PHE HA A 140 ALA HA 1.0 . 4.98 2640 2387 A 140 ALA HA A 139 VAL HGx% 1.0 . 4.96 2641 2388 A 146 VAL H A 143 ASP HA 1.0 . 4.90 2642 2389 A 24 ILE HG1x A 143 ASP HA 1.0 . 4.71 2643 2390 A 99 LEU HDx% A 131 ALA HA 1.0 . 3.88 2644 2391 A 92 ALA HB% A 85 PRO HDy 1.0 . 4.64 2645 2392 A 84 SER HA A 85 PRO HDx 1.0 . 3.97 2646 2393 A 11 TYR HDx A 85 PRO HDy 1.0 . 4.98 2647 2394 A 84 SER HA A 85 PRO HDy 1.0 . 3.78 2648 2395 A 84 SER H A 85 PRO HDy 1.0 . 5.01 2649 2396 A 17 THR HG2% A 85 PRO HDx 1.0 . 5.17 2650 2397 A 94 PRO HDx A 91 PRO HBx 1.0 . 4.31 2651 2398 A 138 GLY H A 110 ALA HA 1.0 . 3.92 2652 2399 A 96 LYS H A 95 ILE HD1% 1.0 . 5.14 2653 2400 A 136 VAL HGx% A 110 ALA HA 1.0 . 3.56 2654 2401 A 110 ALA HA A 137 ILE HG12 1.0 . 3.54 2655 2401 A 137 ILE HG13 A 110 ALA HA 1.0 . 3.54 2656 2402 A 111 SER H A 110 ALA HA 1.0 . 3.14 2657 2403 A 83 GLY H A 95 ILE HD1% 1.0 . 5.18 2658 2404 A 95 ILE HD1% A 95 ILE H 1.0 . 3.94 2659 2405 A 95 ILE HD1% A 84 SER H 1.0 . 4.70 2660 2406 A 95 ILE HD1% A 84 SER HA 1.0 . 4.31 2661 2407 A 11 TYR HA A 95 ILE HD1% 1.0 . 5.24 2662 2408 A 95 ILE HD1% A 84 SER HBy 1.0 . 4.94 2663 2409 A 95 ILE HD1% A 95 ILE HA 1.0 . 3.17 2664 2410 A 11 TYR HBy A 95 ILE HD1% 1.0 . 3.59 2665 2411 A 95 ILE HD1% A 11 TYR HBx 1.0 . 3.68 2666 2412 A 95 ILE HD1% A 11 TYR HDx 1.0 . 5.02 2667 2413 A 65 PRO HDy A 64 PHE HBx 1.0 . 4.27 2668 2414 A 64 PHE HD% A 65 PRO HDx 1.0 . 4.45 2669 2415 A 65 PRO HDx A 64 PHE HA 1.0 . 3.93 2670 2416 A 65 PRO HDx A 64 PHE HBx 1.0 . 3.93 2671 2417 A 57 GLN HBy A 65 PRO HDy 1.0 . 5.14 2672 2418 A 86 VAL HGy% A 123 TYR HDy 1.0 . 5.05 2673 2419 A 86 VAL HGx% A 123 TYR HDx 1.0 . 4.69 2674 2420 A 123 TYR HDx A 123 TYR HA 1.0 . 4.64 2675 2421 A 124 VAL HGy% A 123 TYR HDy 1.0 . 4.12 2676 2422 A 123 TYR HA A 123 TYR HDy 1.0 . 4.67 2677 2423 A 43 PHE HD% A 43 PHE HA 1.0 . 3.47 2678 2424 A 53 ILE HB A 43 PHE HD% 1.0 . 4.21 2679 2425 A 49 LYS H A 48 TYR HD% 1.0 . 4.51 2680 2426 A 48 TYR H A 48 TYR HD% 1.0 . 3.70 2681 2427 A 134 LEU HDy% A 105 TYR HD% 1.0 . 3.51 2682 2428 A 113 PHE HD% A 114 THR H 1.0 . 4.70 2683 2429 A 86 VAL HA A 113 PHE HD% 1.0 . 3.83 2684 2430 A 86 VAL HGx% A 113 PHE HD% 1.0 . 4.98 2685 2431 A 11 TYR HDx A 85 PRO HDx 1.0 . 4.50 2686 2432 A 83 GLY H A 112 PHE HD% 1.0 . 5.36 2687 2433 A 83 GLY HAy A 112 PHE HD% 1.0 . 3.54 2688 2434 A 11 TYR HE% A 11 TYR HDx 1.0 . 4.08 2689 2435 A 11 TYR HDy A 11 TYR HE% 1.0 . 4.43 2690 2436 A 74 TYR HD% A 102 MET HA 1.0 . 3.18 2691 2437 A 74 TYR HD% A 72 ILE HB 1.0 . 4.45 2692 2438 A 74 TYR HD% A 72 ILE HG2% 1.0 . 3.54 2693 2439 A 74 TYR HD% A 80 ILE HD1% 1.0 . 3.24 2694 2440 A 74 TYR HD% A 75 ASN H 1.0 . 4.94 2695 2441 A 74 TYR HD% A 102 MET HE% 1.0 . 4.36 2696 2442 A 127 PHE HD% A 128 ASN HD2y 1.0 . 5.35 2697 2443 A 127 PHE HD% A 91 PRO HGy 1.0 . 4.47 2698 2444 A 64 PHE HD% A 96 LYS HGx 1.0 . 4.34 2699 2445 A 64 PHE H A 64 PHE HE% 1.0 . 4.74 2700 2446 A 21 ALA HB% A 10 TYR HD% 1.0 . 3.23 2701 2447 A 50 THR HG2% A 87 TRP HD1 1.0 . 4.61 2702 2448 A 149 TRP H A 149 TRP HD1 1.0 . 4.05 2703 2449 A 149 TRP HA A 149 TRP HD1 1.0 . 3.18 2704 2450 A 149 TRP HD1 A 148 LYS HGx 1.0 . 4.31 2705 2451 A 137 ILE HD1% A 149 TRP HD1 1.0 . 3.64 2706 2452 A 149 TRP HBy A 149 TRP HE3 1.0 . 3.68 2707 2453 A 149 TRP HBx A 149 TRP HE3 1.0 . 3.48 2708 2454 A 81 LEU HG A 149 TRP HE3 1.0 . 5.04 2709 2455 A 149 TRP H A 149 TRP HE3 1.0 . 4.70 2710 2456 A 92 ALA HB% A 87 TRP HZ3 1.0 . 5.50 2711 2457 A 87 TRP HE3 A 92 ALA HA 1.0 . 4.15 2712 2458 A 126 HIS HD2 A 126 HIS HA 1.0 . 3.43 2713 2459 A 126 HIS HD2 A 122 ALA HB% 1.0 . 4.93 2714 2460 A 74 TYR HE% A 102 MET HGy 1.0 . 4.96 2715 2461 A 74 TYR HE% A 72 ILE HG2% 1.0 . 3.79 2716 2462 A 80 ILE HD1% A 74 TYR HE% 1.0 . 4.90 2717 2463 A 77 TYR HE% A 72 ILE HG2% 1.0 . 4.01 2718 2464 A 49 LYS H A 48 TYR HE% 1.0 . 5.38 2719 2465 A 49 LYS HBy A 48 TYR HE% 1.0 . 4.18 2720 2466 A 110 ALA HB% A 149 TRP HZ2 1.0 . 4.64 2721 2467 A 140 ALA H A 149 TRP HZ2 1.0 . 4.18 2722 2468 A 45 ALA HB% A 87 TRP HZ2 1.0 . 4.69 2723 2469 A 58 ILE HB A 130 TRP HZ2 1.0 . 4.75 2724 2470 A 58 ILE HG1x A 130 TRP HZ2 1.0 . 3.85 2725 2471 A 58 ILE HG2% A 130 TRP HZ2 1.0 . 4.55 stop_ save_