data_nef_c16767_2kv3 save_entry_information _nef_nmr_meta_data.sf_category nef_nmr_meta_data _nef_nmr_meta_data.sf_framecode entry_information _nef_nmr_meta_data.format_name nmr_exchange_format _nef_nmr_meta_data.format_version 1.1 save_ save_assembly _nef_molecular_system.sf_category nef_molecular_system _nef_molecular_system.sf_framecode assembly loop_ _nef_covalent_links.chain_code_1 _nef_covalent_links.sequence_code_1 _nef_covalent_links.residue_name_1 _nef_covalent_links.atom_name_1 _nef_covalent_links.chain_code_2 _nef_covalent_links.sequence_code_2 _nef_covalent_links.residue_name_2 _nef_covalent_links.atom_name_2 1 3 CYS SG 1 14 CYS SG 1 31 CYS SG 1 127 CYS SG 1 102 CYS SG 1 119 CYS SG stop_ 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 GLN start . . 2 A 2 SER middle . . 3 A 3 CYS middle -HG . 4 A 4 ALA middle . . 5 A 5 PRO middle . false 6 A 6 GLY middle . false 7 A 7 TRP middle . . 8 A 8 PHE middle . . 9 A 9 TYR middle . . 10 A 10 HIS middle . . 11 A 11 LYS middle . . 12 A 12 SER middle . . 13 A 13 ASN middle . . 14 A 14 CYS middle -HG . 15 A 15 TYR middle . . 16 A 16 GLY middle . false 17 A 17 TYR middle . . 18 A 18 PHE middle . . 19 A 19 ARG middle . . 20 A 20 LYS middle . . 21 A 21 LEU middle . . 22 A 22 ARG middle . . 23 A 23 ASN middle . . 24 A 24 TRP middle . . 25 A 25 SER middle . . 26 A 26 ASP middle . . 27 A 27 ALA middle . . 28 A 28 GLU middle . . 29 A 29 LEU middle . . 30 A 30 GLU middle . . 31 A 31 CYS middle -HG . 32 A 32 GLN middle . . 33 A 33 SER middle . . 34 A 34 TYR middle . . 35 A 35 GLY middle . false 36 A 36 ASN middle . . 37 A 37 GLY middle . false 38 A 38 ALA middle . . 39 A 39 HIS middle . . 40 A 40 LEU middle . . 41 A 41 ALA middle . . 42 A 42 SER middle . . 43 A 43 ILE middle . . 44 A 44 LEU middle . . 45 A 45 SER middle . . 46 A 46 LEU middle . . 47 A 47 LYS middle . . 48 A 48 GLU middle . . 49 A 49 ALA middle . . 50 A 50 SER middle . . 51 A 51 THR middle . . 52 A 52 ILE middle . . 53 A 53 ALA middle . . 54 A 54 GLU middle . . 55 A 55 TYR middle . . 56 A 56 ILE middle . . 57 A 57 SER middle . . 58 A 58 GLY middle . false 59 A 59 TYR middle . . 60 A 60 GLN middle . . 61 A 61 ARG middle . . 62 A 62 SER middle . . 63 A 63 GLN middle . . 64 A 64 SER middle . . 65 A 65 ILE middle . . 66 A 66 TRP middle . . 67 A 67 ILE middle . . 68 A 68 GLY middle . false 69 A 69 LEU middle . . 70 A 70 HIS middle . . 71 A 71 ASP middle . . 72 A 72 PRO middle . false 73 A 73 GLN middle . . 74 A 74 LYS middle . . 75 A 75 ARG middle . . 76 A 76 GLN middle . . 77 A 77 GLN middle . . 78 A 78 TRP middle . . 79 A 79 GLN middle . . 80 A 80 TRP middle . . 81 A 81 ILE middle . . 82 A 82 ASP middle . . 83 A 83 GLY middle . false 84 A 84 ALA middle . . 85 A 85 MET middle . . 86 A 86 TYR middle . . 87 A 87 LEU middle . . 88 A 88 TYR middle . . 89 A 89 ARG middle . . 90 A 90 SER middle . . 91 A 91 TRP middle . . 92 A 92 SER middle . . 93 A 93 GLY middle . false 94 A 94 LYS middle . . 95 A 95 SER middle . . 96 A 96 MET middle . . 97 A 97 GLY middle . false 98 A 98 GLY middle . false 99 A 99 ASN middle . . 100 A 100 LYS middle . . 101 A 101 HIS middle . . 102 A 102 CYS middle -HG . 103 A 103 ALA middle . . 104 A 104 GLU middle . . 105 A 105 MET middle . . 106 A 106 SER middle . . 107 A 107 SER middle . . 108 A 108 ASN middle . . 109 A 109 ASN middle . . 110 A 110 ASN middle . . 111 A 111 PHE middle . . 112 A 112 LEU middle . . 113 A 113 THR middle . . 114 A 114 TRP middle . . 115 A 115 SER middle . . 116 A 116 SER middle . . 117 A 117 ASN middle . . 118 A 118 GLU middle . . 119 A 119 CYS middle -HG . 120 A 120 ASN middle . . 121 A 121 LYS middle . . 122 A 122 ARG middle . . 123 A 123 GLN middle . . 124 A 124 HIS middle . . 125 A 125 PHE middle . . 126 A 126 LEU middle . . 127 A 127 CYS middle -HG . 128 A 128 LYS middle . . 129 A 129 TYR middle . . 130 A 130 ARG middle . . 131 A 131 PRO end . false stop_ save_ save_assignments_chemical_shifts _nef_chemical_shift_list.sf_category nef_chemical_shift_list _nef_chemical_shift_list.sf_framecode assignments_chemical_shifts loop_ _nef_chemical_shift.chain_code _nef_chemical_shift.sequence_code _nef_chemical_shift.residue_name _nef_chemical_shift.atom_name _nef_chemical_shift.element _nef_chemical_shift.isotope_number _nef_chemical_shift.value _nef_chemical_shift.value_uncertainty A 1 GLN HA H 1 4.205 . A 1 GLN HBy H 1 1.878 . A 1 GLN HBx H 1 1.792 . A 1 GLN C C 13 174.687 . A 1 GLN CA C 13 54.603 . A 1 GLN CB C 13 28.355 . A 1 GLN CG C 13 32.961 . A 2 SER H H 1 7.940 . A 2 SER HA H 1 4.236 . A 2 SER HBy H 1 3.629 . A 2 SER HBx H 1 3.625 . A 2 SER C C 13 173.751 . A 2 SER CA C 13 57.381 . A 2 SER CB C 13 63.630 . A 2 SER N N 15 115.293 . A 3 CYS H H 1 8.432 . A 3 CYS HA H 1 4.791 . A 3 CYS HBx H 1 2.745 . A 3 CYS HBy H 1 2.948 . A 3 CYS C C 13 173.589 . A 3 CYS CA C 13 57.278 . A 3 CYS CB C 13 41.566 . A 3 CYS N N 15 117.458 . A 4 ALA H H 1 7.137 . A 4 ALA HA H 1 4.351 . A 4 ALA HB% H 1 0.888 . A 4 ALA CA C 13 50.477 . A 4 ALA CB C 13 15.381 . A 4 ALA N N 15 124.507 . A 5 PRO HA H 1 4.401 . A 5 PRO HBy H 1 2.354 . A 5 PRO HBx H 1 1.964 . A 5 PRO HDx H 1 4.741 . A 5 PRO HDy H 1 4.797 . A 5 PRO HGx H 1 2.041 . A 5 PRO HGy H 1 2.158 . A 5 PRO C C 13 178.269 . A 5 PRO CA C 13 63.814 . A 5 PRO CB C 13 30.671 . A 5 PRO CD C 13 49.587 . A 5 PRO CG C 13 27.315 . A 6 GLY H H 1 8.942 . A 6 GLY HAx H 1 3.705 . A 6 GLY HAy H 1 4.402 . A 6 GLY C C 13 174.831 . A 6 GLY CA C 13 44.587 . A 6 GLY N N 15 112.670 . A 7 TRP H H 1 8.459 . A 7 TRP HA H 1 4.814 . A 7 TRP HBy H 1 3.393 . A 7 TRP HBx H 1 2.924 . A 7 TRP HD1 H 1 7.197 . A 7 TRP HE1 H 1 9.789 . A 7 TRP CA C 13 56.672 . A 7 TRP CB C 13 27.741 . A 7 TRP CD1 C 13 124.558 . A 7 TRP N N 15 122.685 . A 7 TRP NE1 N 15 130.316 . A 8 PHE H H 1 9.765 . A 8 PHE HA H 1 4.915 . A 8 PHE HBy H 1 2.714 . A 8 PHE HBx H 1 2.433 . A 8 PHE HDx H 1 6.641 . A 8 PHE HDy H 1 6.641 . A 8 PHE HEx H 1 6.728 . A 8 PHE HEy H 1 6.728 . A 8 PHE C C 13 173.517 . A 8 PHE CA C 13 55.116 . A 8 PHE CB C 13 41.108 . A 8 PHE CDx C 13 131.761 . A 8 PHE CDy C 13 131.761 . A 8 PHE CEx C 13 130.237 . A 8 PHE CEy C 13 130.237 . A 8 PHE N N 15 124.340 . A 9 TYR H H 1 8.406 . A 9 TYR HA H 1 5.087 . A 9 TYR HBy H 1 3.065 . A 9 TYR HBx H 1 2.714 . A 9 TYR HDx H 1 6.876 . A 9 TYR HDy H 1 6.876 . A 9 TYR HEx H 1 6.536 . A 9 TYR HEy H 1 6.536 . A 9 TYR C C 13 175.173 . A 9 TYR CA C 13 56.306 . A 9 TYR CB C 13 39.185 . A 9 TYR CDx C 13 131.761 . A 9 TYR CDy C 13 131.761 . A 9 TYR CEx C 13 117.433 . A 9 TYR CEy C 13 117.433 . A 9 TYR N N 15 127.880 . A 10 HIS H H 1 8.451 . A 10 HIS HA H 1 3.971 . A 10 HIS HBy H 1 2.737 . A 10 HIS HBx H 1 2.698 . A 10 HIS HD2 H 1 6.892 . A 10 HIS C C 13 173.373 . A 10 HIS CA C 13 56.581 . A 10 HIS CB C 13 30.488 . A 10 HIS N N 15 123.978 . A 11 LYS H H 1 8.854 . A 11 LYS HA H 1 3.971 . A 11 LYS HBy H 1 1.644 . A 11 LYS HBx H 1 0.894 . A 11 LYS HDx H 1 1.454 . A 11 LYS HDy H 1 1.454 . A 11 LYS HEx H 1 2.836 . A 11 LYS HEy H 1 2.836 . A 11 LYS HGy H 1 0.822 . A 11 LYS HGx H 1 0.783 . A 11 LYS C C 13 174.687 . A 11 LYS CA C 13 56.581 . A 11 LYS CB C 13 30.488 . A 11 LYS CD C 13 27.785 . A 11 LYS CE C 13 41.274 . A 11 LYS CG C 13 24.021 . A 11 LYS N N 15 129.219 . A 12 SER H H 1 6.898 . A 12 SER HA H 1 4.096 . A 12 SER HBx H 1 3.955 . A 12 SER HBy H 1 3.955 . A 12 SER C C 13 171.393 . A 12 SER CA C 13 59.602 . A 12 SER CB C 13 61.067 . A 12 SER N N 15 105.906 . A 13 ASN H H 1 7.440 . A 13 ASN HA H 1 4.994 . A 13 ASN HBy H 1 2.495 . A 13 ASN HBx H 1 1.581 . A 13 ASN HD2y H 1 7.113 . A 13 ASN HD2x H 1 6.570 . A 13 ASN C C 13 171.645 . A 13 ASN CA C 13 51.728 . A 13 ASN CB C 13 43.672 . A 13 ASN N N 15 116.308 . A 13 ASN ND2 N 15 113.187 . A 14 CYS H H 1 8.657 . A 14 CYS HA H 1 5.306 . A 14 CYS HBy H 1 2.284 . A 14 CYS HBx H 1 1.265 . A 14 CYS C C 13 173.517 . A 14 CYS CA C 13 52.827 . A 14 CYS CB C 13 42.665 . A 14 CYS N N 15 116.051 . A 15 TYR H H 1 9.742 . A 15 TYR HA H 1 5.478 . A 15 TYR HBy H 1 2.667 . A 15 TYR HBx H 1 2.503 . A 15 TYR HDx H 1 6.938 . A 15 TYR HDy H 1 6.938 . A 15 TYR HEx H 1 6.789 . A 15 TYR HEy H 1 6.789 . A 15 TYR C C 13 174.651 . A 15 TYR CA C 13 56.216 . A 15 TYR CB C 13 40.467 . A 15 TYR CDx C 13 133.085 . A 15 TYR CDy C 13 133.085 . A 15 TYR CEx C 13 117.838 . A 15 TYR CEy C 13 117.838 . A 15 TYR N N 15 120.372 . A 16 GLY H H 1 8.530 . A 16 GLY HAx H 1 0.926 . A 16 GLY HAy H 1 3.658 . A 16 GLY C C 13 170.547 . A 16 GLY CA C 13 43.489 . A 16 GLY N N 15 112.846 . A 17 TYR H H 1 8.336 . A 17 TYR HA H 1 4.798 . A 17 TYR HBx H 1 2.448 . A 17 TYR HBy H 1 2.448 . A 17 TYR HDx H 1 6.931 . A 17 TYR HDy H 1 6.931 . A 17 TYR HEx H 1 7.145 . A 17 TYR HEy H 1 7.145 . A 17 TYR C C 13 172.707 . A 17 TYR CA C 13 53.651 . A 17 TYR CB C 13 37.171 . A 17 TYR CDx C 13 133.101 . A 17 TYR CDy C 13 133.101 . A 17 TYR CEx C 13 117.901 . A 17 TYR CEy C 13 117.901 . A 17 TYR N N 15 127.734 . A 18 PHE H H 1 8.293 . A 18 PHE HA H 1 3.736 . A 18 PHE HBy H 1 1.714 . A 18 PHE HBx H 1 0.879 . A 18 PHE HDx H 1 6.679 . A 18 PHE HDy H 1 6.679 . A 18 PHE C C 13 173.733 . A 18 PHE CA C 13 58.672 . A 18 PHE CB C 13 39.185 . A 18 PHE CDx C 13 132.432 . A 18 PHE CDy C 13 132.432 . A 18 PHE N N 15 128.521 . A 19 ARG H H 1 7.885 . A 19 ARG HA H 1 2.472 . A 19 ARG HBy H 1 1.144 . A 19 ARG HBx H 1 1.097 . A 19 ARG HDx H 1 2.479 . A 19 ARG HDy H 1 2.479 . A 19 ARG HGx H 1 0.059 . A 19 ARG HGy H 1 0.671 . A 19 ARG C C 13 175.227 . A 19 ARG CA C 13 52.644 . A 19 ARG CB C 13 26.734 . A 19 ARG CD C 13 42.294 . A 19 ARG CG C 13 25.354 . A 19 ARG N N 15 126.331 . A 20 LYS H H 1 6.920 . A 20 LYS HA H 1 4.408 . A 20 LYS HBy H 1 1.683 . A 20 LYS HBx H 1 1.597 . A 20 LYS HDx H 1 1.684 . A 20 LYS HDy H 1 1.684 . A 20 LYS HEx H 1 2.931 . A 20 LYS HEy H 1 2.931 . A 20 LYS HGx H 1 1.281 . A 20 LYS HGy H 1 1.281 . A 20 LYS C C 13 173.697 . A 20 LYS CA C 13 53.561 . A 20 LYS CB C 13 34.791 . A 20 LYS CD C 13 29.275 . A 20 LYS CE C 13 41.196 . A 20 LYS CG C 13 24.021 . A 20 LYS N N 15 119.555 . A 21 LEU H H 1 8.401 . A 21 LEU HA H 1 4.291 . A 21 LEU HBy H 1 1.886 . A 21 LEU HBx H 1 1.011 . A 21 LEU HDx% H 1 0.914 . A 21 LEU HDy% H 1 0.914 . A 21 LEU HG H 1 1.648 . A 21 LEU C C 13 177.262 . A 21 LEU CA C 13 53.674 . A 21 LEU CB C 13 40.833 . A 21 LEU CD1 C 13 22.609 . A 21 LEU CD2 C 13 22.609 . A 21 LEU CG C 13 25.197 . A 21 LEU N N 15 120.244 . A 22 ARG H H 1 9.231 . A 22 ARG HA H 1 4.994 . A 22 ARG HBy H 1 1.777 . A 22 ARG HBx H 1 1.636 . A 22 ARG HDx H 1 3.172 . A 22 ARG HDy H 1 3.172 . A 22 ARG HGy H 1 1.439 . A 22 ARG HGx H 1 1.336 . A 22 ARG C C 13 176.595 . A 22 ARG CA C 13 52.369 . A 22 ARG CB C 13 34.882 . A 22 ARG CD C 13 42.451 . A 22 ARG CG C 13 27.785 . A 22 ARG N N 15 126.138 . A 23 ASN H H 1 9.515 . A 23 ASN HA H 1 5.649 . A 23 ASN HBy H 1 3.799 . A 23 ASN HBx H 1 2.636 . A 23 ASN HD2y H 1 7.490 . A 23 ASN HD2x H 1 6.683 . A 23 ASN C C 13 173.625 . A 23 ASN CA C 13 51.454 . A 23 ASN CB C 13 36.073 . A 23 ASN N N 15 122.590 . A 23 ASN ND2 N 15 110.449 . A 24 TRP H H 1 7.673 . A 24 TRP HA H 1 2.839 . A 24 TRP HBy H 1 2.941 . A 24 TRP HBx H 1 1.597 . A 24 TRP HD1 H 1 6.549 . A 24 TRP HE1 H 1 9.747 . A 24 TRP C C 13 177.046 . A 24 TRP CA C 13 63.271 . A 24 TRP CB C 13 31.024 . A 24 TRP CD1 C 13 126.835 . A 24 TRP N N 15 118.328 . A 24 TRP NE1 N 15 126.203 . A 25 SER H H 1 8.450 . A 25 SER HA H 1 3.846 . A 25 SER HBx H 1 3.916 . A 25 SER HBy H 1 3.916 . A 25 SER C C 13 177.334 . A 25 SER CA C 13 61.727 . A 25 SER CB C 13 64.089 . A 25 SER N N 15 110.848 . A 26 ASP H H 1 8.925 . A 26 ASP HA H 1 4.306 . A 26 ASP HBy H 1 2.534 . A 26 ASP HBx H 1 2.371 . A 26 ASP C C 13 178.612 . A 26 ASP CA C 13 56.095 . A 26 ASP CB C 13 38.745 . A 26 ASP N N 15 122.435 . A 27 ALA H H 1 8.550 . A 27 ALA HA H 1 2.628 . A 27 ALA HB% H 1 0.738 . A 27 ALA C C 13 176.992 . A 27 ALA CA C 13 54.097 . A 27 ALA CB C 13 17.398 . A 27 ALA N N 15 126.225 . A 28 GLU H H 1 7.532 . A 28 GLU HA H 1 3.986 . A 28 GLU HBy H 1 1.472 . A 28 GLU HBx H 1 1.285 . A 28 GLU HGx H 1 2.186 . A 28 GLU HGy H 1 2.186 . A 28 GLU C C 13 178.414 . A 28 GLU CA C 13 57.912 . A 28 GLU CB C 13 25.574 . A 28 GLU CG C 13 33.041 . A 28 GLU N N 15 118.414 . A 29 LEU H H 1 7.638 . A 29 LEU HA H 1 3.838 . A 29 LEU HBy H 1 1.761 . A 29 LEU HBx H 1 1.449 . A 29 LEU HDx% H 1 0.771 . A 29 LEU HDy% H 1 0.350 . A 29 LEU HG H 1 1.657 . A 29 LEU C C 13 180.088 . A 29 LEU CA C 13 57.185 . A 29 LEU CB C 13 40.653 . A 29 LEU CD1 C 13 22.296 . A 29 LEU CD2 C 13 24.256 . A 29 LEU CG C 13 26.061 . A 29 LEU N N 15 118.468 . A 30 GLU H H 1 8.090 . A 30 GLU HA H 1 3.822 . A 30 GLU HBy H 1 1.948 . A 30 GLU HBx H 1 1.886 . A 30 GLU HGx H 1 2.048 . A 30 GLU HGy H 1 2.048 . A 30 GLU C C 13 180.519 . A 30 GLU CA C 13 59.274 . A 30 GLU CB C 13 26.754 . A 30 GLU CG C 13 35.157 . A 30 GLU N N 15 121.811 . A 31 CYS H H 1 8.873 . A 31 CYS HA H 1 4.572 . A 31 CYS HBy H 1 2.932 . A 31 CYS HBx H 1 2.573 . A 31 CYS C C 13 176.127 . A 31 CYS CA C 13 55.913 . A 31 CYS CB C 13 33.295 . A 31 CYS N N 15 118.289 . A 32 GLN H H 1 8.219 . A 32 GLN HA H 1 3.986 . A 32 GLN HBy H 1 2.058 . A 32 GLN HBx H 1 2.003 . A 32 GLN HE2y H 1 8.296 . A 32 GLN HE2x H 1 6.714 . A 32 GLN HGy H 1 2.609 . A 32 GLN HGx H 1 2.283 . A 32 GLN C C 13 179.171 . A 32 GLN CA C 13 57.912 . A 32 GLN CB C 13 28.391 . A 32 GLN CG C 13 33.432 . A 32 GLN N N 15 116.359 . A 32 GLN NE2 N 15 112.649 . A 33 SER H H 1 7.870 . A 33 SER HA H 1 4.103 . A 33 SER HBx H 1 3.791 . A 33 SER HBy H 1 3.791 . A 33 SER C C 13 174.759 . A 33 SER CA C 13 60.183 . A 33 SER CB C 13 62.181 . A 33 SER N N 15 116.665 . A 34 TYR H H 1 7.558 . A 34 TYR HA H 1 4.244 . A 34 TYR HBy H 1 3.003 . A 34 TYR HBx H 1 2.871 . A 34 TYR HDx H 1 6.478 . A 34 TYR HDy H 1 6.478 . A 34 TYR HEx H 1 6.387 . A 34 TYR HEy H 1 6.387 . A 34 TYR C C 13 176.073 . A 34 TYR CA C 13 58.911 . A 34 TYR CB C 13 37.019 . A 34 TYR CDx C 13 132.391 . A 34 TYR CDy C 13 132.391 . A 34 TYR CEx C 13 117.601 . A 34 TYR CEy C 13 117.601 . A 34 TYR N N 15 120.500 . A 35 GLY H H 1 7.682 . A 35 GLY HAy H 1 3.761 . A 35 GLY HAx H 1 3.651 . A 35 GLY C C 13 172.977 . A 35 GLY CA C 13 44.195 . A 35 GLY N N 15 106.763 . A 36 ASN H H 1 8.242 . A 36 ASN HA H 1 4.213 . A 36 ASN HBy H 1 2.401 . A 36 ASN HBx H 1 2.081 . A 36 ASN HD2x H 1 6.504 . A 36 ASN HD2y H 1 6.705 . A 36 ASN C C 13 175.047 . A 36 ASN CA C 13 53.552 . A 36 ASN CB C 13 37.111 . A 36 ASN N N 15 114.352 . A 36 ASN ND2 N 15 112.396 . A 37 GLY H H 1 8.478 . A 37 GLY HAy H 1 3.961 . A 37 GLY HAx H 1 3.791 . A 37 GLY C C 13 174.147 . A 37 GLY CA C 13 45.195 . A 37 GLY N N 15 107.175 . A 38 ALA H H 1 7.408 . A 38 ALA HA H 1 4.869 . A 38 ALA HB% H 1 1.378 . A 38 ALA C C 13 175.785 . A 38 ALA CA C 13 51.372 . A 38 ALA CB C 13 19.215 . A 38 ALA N N 15 121.876 . A 39 HIS H H 1 8.139 . A 39 HIS HA H 1 4.978 . A 39 HIS HBy H 1 3.666 . A 39 HIS HBx H 1 3.034 . A 39 HIS HD2 H 1 7.323 . A 39 HIS C C 13 175.047 . A 39 HIS CA C 13 53.733 . A 39 HIS CB C 13 35.384 . A 39 HIS CD2 C 13 119.605 . A 39 HIS N N 15 113.675 . A 40 LEU H H 1 9.800 . A 40 LEU HA H 1 4.939 . A 40 LEU HBy H 1 1.605 . A 40 LEU HBx H 1 0.957 . A 40 LEU HDx% H 1 0.755 . A 40 LEU HDy% H 1 -0.441 . A 40 LEU HG H 1 1.223 . A 40 LEU C C 13 179.962 . A 40 LEU CA C 13 56.186 . A 40 LEU CB C 13 35.384 . A 40 LEU CD1 C 13 24.398 . A 40 LEU CD2 C 13 24.579 . A 40 LEU CG C 13 26.138 . A 40 LEU N N 15 123.645 . A 41 ALA H H 1 9.226 . A 41 ALA HA H 1 4.142 . A 41 ALA HB% H 1 1.301 . A 41 ALA C C 13 177.118 . A 41 ALA CA C 13 53.188 . A 41 ALA CB C 13 19.487 . A 41 ALA N N 15 122.875 . A 42 SER H H 1 6.744 . A 42 SER HA H 1 3.617 . A 42 SER HBx H 1 2.489 . A 42 SER HBy H 1 2.489 . A 42 SER C C 13 172.743 . A 42 SER CA C 13 54.642 . A 42 SER CB C 13 62.817 . A 42 SER N N 15 113.470 . A 43 ILE H H 1 5.240 . A 43 ILE HA H 1 4.103 . A 43 ILE HB H 1 2.337 . A 43 ILE HD1% H 1 0.817 . A 43 ILE HG12 H 1 1.439 . A 43 ILE HG13 H 1 1.439 . A 43 ILE HG21 H 1 1.136 . A 43 ILE HG22 H 1 1.136 . A 43 ILE HG23 H 1 1.136 . A 43 ILE C C 13 175.101 . A 43 ILE CA C 13 59.093 . A 43 ILE CB C 13 37.473 . A 43 ILE CD1 C 13 11.159 . A 43 ILE CG1 C 13 25.746 . A 43 ILE CG2 C 13 17.198 . A 43 ILE N N 15 121.063 . A 44 LEU H H 1 8.561 . A 44 LEU HA H 1 4.103 . A 44 LEU HBx H 1 2.329 . A 44 LEU HBy H 1 2.329 . A 44 LEU HDx% H 1 0.539 . A 44 LEU HDy% H 1 0.794 . A 44 LEU HG H 1 1.115 . A 44 LEU C C 13 176.919 . A 44 LEU CA C 13 54.369 . A 44 LEU CB C 13 42.197 . A 44 LEU CD1 C 13 21.747 . A 44 LEU CD2 C 13 24.491 . A 44 LEU CG C 13 26.217 . A 44 LEU N N 15 120.949 . A 45 SER H H 1 7.466 . A 45 SER HA H 1 3.784 . A 45 SER HBx H 1 4.352 . A 45 SER HBy H 1 4.352 . A 45 SER C C 13 172.455 . A 45 SER CA C 13 56.004 . A 45 SER CB C 13 65.271 . A 45 SER N N 15 111.624 . A 46 LEU H H 1 8.425 . A 46 LEU HA H 1 4.081 . A 46 LEU HBx H 1 1.652 . A 46 LEU HBy H 1 1.652 . A 46 LEU HDx% H 1 0.983 . A 46 LEU HDy% H 1 0.931 . A 46 LEU HG H 1 1.538 . A 46 LEU C C 13 178.936 . A 46 LEU CA C 13 56.640 . A 46 LEU CB C 13 40.462 . A 46 LEU CD1 C 13 22.296 . A 46 LEU CD2 C 13 25.197 . A 46 LEU CG C 13 26.374 . A 46 LEU N N 15 123.128 . A 47 LYS H H 1 8.145 . A 47 LYS HA H 1 4.011 . A 47 LYS HBx H 1 1.776 . A 47 LYS HBy H 1 1.776 . A 47 LYS HDx H 1 1.661 . A 47 LYS HDy H 1 1.661 . A 47 LYS HEx H 1 2.954 . A 47 LYS HEy H 1 2.954 . A 47 LYS HGx H 1 1.459 . A 47 LYS HGy H 1 1.459 . A 47 LYS C C 13 179.296 . A 47 LYS CA C 13 58.548 . A 47 LYS CB C 13 30.933 . A 47 LYS CD C 13 28.099 . A 47 LYS CE C 13 41.431 . A 47 LYS CG C 13 24.571 . A 47 LYS N N 15 119.478 . A 48 GLU H H 1 7.815 . A 48 GLU HA H 1 3.807 . A 48 GLU HBy H 1 2.057 . A 48 GLU HBx H 1 1.979 . A 48 GLU HGx H 1 2.038 . A 48 GLU HGy H 1 2.038 . A 48 GLU C C 13 177.298 . A 48 GLU CA C 13 59.002 . A 48 GLU CB C 13 29.007 . A 48 GLU CG C 13 35.314 . A 48 GLU N N 15 122.762 . A 49 ALA H H 1 8.323 . A 49 ALA HA H 1 3.862 . A 49 ALA HB% H 1 1.661 . A 49 ALA C C 13 179.891 . A 49 ALA CA C 13 54.914 . A 49 ALA CB C 13 18.488 . A 49 ALA N N 15 120.845 . A 50 SER H H 1 8.877 . A 50 SER HA H 1 4.056 . A 50 SER HBx H 1 3.885 . A 50 SER HBy H 1 3.885 . A 50 SER C C 13 176.811 . A 50 SER CA C 13 60.911 . A 50 SER CB C 13 62.091 . A 50 SER N N 15 112.676 . A 51 THR H H 1 7.743 . A 51 THR HA H 1 3.776 . A 51 THR HB H 1 3.745 . A 51 THR HG2% H 1 1.125 . A 51 THR C C 13 176.469 . A 51 THR CA C 13 66.178 . A 51 THR CB C 13 67.722 . A 51 THR CG2 C 13 19.315 . A 51 THR N N 15 119.889 . A 52 ILE H H 1 8.130 . A 52 ILE HA H 1 3.473 . A 52 ILE HB H 1 1.831 . A 52 ILE HD1% H 1 0.096 . A 52 ILE HG12 H 1 0.917 . A 52 ILE HG13 H 1 0.917 . A 52 ILE HG21 H 1 0.655 . A 52 ILE HG22 H 1 0.655 . A 52 ILE HG23 H 1 0.655 . A 52 ILE C C 13 177.082 . A 52 ILE CA C 13 62.545 . A 52 ILE CB C 13 35.657 . A 52 ILE CD1 C 13 11.081 . A 52 ILE CG1 C 13 28.334 . A 52 ILE CG2 C 13 18.766 . A 52 ILE N N 15 122.412 . A 53 ALA H H 1 8.716 . A 53 ALA HA H 1 3.801 . A 53 ALA HB% H 1 1.621 . A 53 ALA C C 13 180.178 . A 53 ALA CA C 13 55.096 . A 53 ALA CB C 13 18.216 . A 53 ALA N N 15 122.957 . A 54 GLU H H 1 7.678 . A 54 GLU HA H 1 3.885 . A 54 GLU HBy H 1 2.103 . A 54 GLU HBx H 1 2.018 . A 54 GLU HGy H 1 2.332 . A 54 GLU HGx H 1 2.175 . A 54 GLU C C 13 18.342 . A 54 GLU CA C 13 58.366 . A 54 GLU CB C 13 28.026 . A 54 GLU CG C 13 34.531 . A 54 GLU N N 15 118.362 . A 55 TYR H H 1 7.415 . A 55 TYR HA H 1 5.644 . A 55 TYR HBx H 1 2.632 . A 55 TYR HBy H 1 2.632 . A 55 TYR HDy H 1 7.151 . A 55 TYR HDx H 1 6.855 . A 55 TYR HEx H 1 6.855 . A 55 TYR HEy H 1 6.855 . A 55 TYR C C 13 178.414 . A 55 TYR CA C 13 59.274 . A 55 TYR CB C 13 37.111 . A 55 TYR CDy C 13 133.179 . A 55 TYR CDx C 13 118.294 . A 55 TYR CEx C 13 118.294 . A 55 TYR CEy C 13 118.294 . A 55 TYR N N 15 121.077 . A 56 ILE H H 1 7.672 . A 56 ILE HA H 1 3.006 . A 56 ILE HB H 1 1.123 . A 56 ILE HD1% H 1 -0.023 . A 56 ILE HG12 H 1 0.435 . A 56 ILE HG13 H 1 0.965 . A 56 ILE HG21 H 1 -0.342 . A 56 ILE HG22 H 1 -0.342 . A 56 ILE HG23 H 1 -0.342 . A 56 ILE C C 13 178.522 . A 56 ILE CA C 13 63.544 . A 56 ILE CB C 13 36.202 . A 56 ILE CD1 C 13 12.101 . A 56 ILE CG1 C 13 26.766 . A 56 ILE CG2 C 13 16.257 . A 56 ILE N N 15 118.342 . A 57 SER H H 1 8.057 . A 57 SER HA H 1 4.453 . A 57 SER HBy H 1 3.979 . A 57 SER HBx H 1 3.878 . A 57 SER C C 13 175.137 . A 57 SER CA C 13 60.546 . A 57 SER CB C 13 62.454 . A 57 SER N N 15 113.853 . A 58 GLY H H 1 7.320 . A 58 GLY HAy H 1 3.807 . A 58 GLY HAx H 1 3.574 . A 58 GLY C C 13 174.381 . A 58 GLY CA C 13 45.104 . A 58 GLY N N 15 107.038 . A 59 TYR H H 1 8.084 . A 59 TYR HA H 1 4.337 . A 59 TYR HBy H 1 3.068 . A 59 TYR HBx H 1 2.928 . A 59 TYR HDx H 1 7.002 . A 59 TYR HDy H 1 7.002 . A 59 TYR HEx H 1 6.338 . A 59 TYR HEy H 1 6.338 . A 59 TYR C C 13 176.037 . A 59 TYR CA C 13 59.365 . A 59 TYR CB C 13 39.108 . A 59 TYR CDx C 13 133.363 . A 59 TYR CDy C 13 133.363 . A 59 TYR CEx C 13 118.476 . A 59 TYR CEy C 13 118.476 . A 59 TYR N N 15 117.967 . A 60 GLN H H 1 8.194 . A 60 GLN HA H 1 4.422 . A 60 GLN HBy H 1 2.345 . A 60 GLN HBx H 1 2.274 . A 60 GLN HE2y H 1 7.281 . A 60 GLN HGx H 1 2.424 . A 60 GLN HGy H 1 2.424 . A 60 GLN C C 13 173.535 . A 60 GLN CA C 13 55.096 . A 60 GLN CB C 13 26.482 . A 60 GLN CD C 13 110.744 . A 60 GLN CG C 13 30.295 . A 60 GLN N N 15 115.455 . A 60 GLN NE2 N 15 110.748 . A 61 ARG H H 1 8.528 . A 61 ARG HA H 1 4.734 . A 61 ARG HBy H 1 2.057 . A 61 ARG HBx H 1 1.652 . A 61 ARG HDx H 1 3.159 . A 61 ARG HDy H 1 3.159 . A 61 ARG HGx H 1 1.604 . A 61 ARG HGy H 1 1.604 . A 61 ARG C C 13 175.947 . A 61 ARG CA C 13 54.278 . A 61 ARG CB C 13 30.751 . A 61 ARG CD C 13 42.529 . A 61 ARG CG C 13 26.609 . A 61 ARG N N 15 116.904 . A 62 SER H H 1 8.686 . A 62 SER HA H 1 4.574 . A 62 SER HBy H 1 3.165 . A 62 SER HBx H 1 3.076 . A 62 SER C C 13 174.004 . A 62 SER CA C 13 58.184 . A 62 SER CB C 13 64.634 . A 62 SER N N 15 114.299 . A 63 GLN H H 1 8.425 . A 63 GLN HA H 1 4.204 . A 63 GLN HBy H 1 1.963 . A 63 GLN HBx H 1 1.815 . A 63 GLN HE2y H 1 7.500 . A 63 GLN HE2x H 1 6.847 . A 63 GLN HGx H 1 2.211 . A 63 GLN HGy H 1 2.211 . A 63 GLN CA C 13 54.611 . A 63 GLN CB C 13 28.393 . A 63 GLN CG C 13 33.118 . A 63 GLN N N 15 121.728 . A 63 GLN NE2 N 15 111.987 . A 65 ILE H H 1 7.846 . A 65 ILE HA H 1 4.368 . A 65 ILE HB H 1 1.675 . A 65 ILE HD1% H 1 0.384 . A 65 ILE HG12 H 1 1.468 . A 65 ILE HG13 H 1 1.057 . A 65 ILE HG21 H 1 0.849 . A 65 ILE HG22 H 1 0.849 . A 65 ILE HG23 H 1 0.849 . A 65 ILE C C 13 176.379 . A 65 ILE CA C 13 59.911 . A 65 ILE CB C 13 42.106 . A 65 ILE CD1 C 13 15.316 . A 65 ILE CG1 C 13 17.591 . A 65 ILE CG2 C 13 26.766 . A 65 ILE N N 15 114.340 . A 66 TRP H H 1 9.917 . A 66 TRP HA H 1 5.667 . A 66 TRP HBx H 1 3.496 . A 66 TRP HBy H 1 3.496 . A 66 TRP HD1 H 1 7.218 . A 66 TRP HE1 H 1 10.345 . A 66 TRP C C 13 175.875 . A 66 TRP CA C 13 57.912 . A 66 TRP CB C 13 31.478 . A 66 TRP CD1 C 13 124.742 . A 66 TRP N N 15 126.519 . A 66 TRP NE1 N 15 129.808 . A 67 ILE H H 1 8.258 . A 67 ILE HA H 1 5.099 . A 67 ILE HB H 1 2.502 . A 67 ILE HD1% H 1 -0.010 . A 67 ILE HG12 H 1 1.199 . A 67 ILE HG13 H 1 1.037 . A 67 ILE HG21 H 1 1.157 . A 67 ILE HG22 H 1 1.157 . A 67 ILE HG23 H 1 1.157 . A 67 ILE C C 13 176.469 . A 67 ILE CA C 13 59.547 . A 67 ILE CB C 13 40.834 . A 67 ILE CD1 C 13 12.022 . A 67 ILE CG1 C 13 25.276 . A 67 ILE CG2 C 13 19.551 . A 67 ILE N N 15 111.190 . A 68 GLY H H 1 9.570 . A 68 GLY HAy H 1 4.274 . A 68 GLY HAx H 1 3.878 . A 68 GLY C C 13 172.419 . A 68 GLY CA C 13 48.374 . A 68 GLY N N 15 107.267 . A 69 LEU H H 1 7.145 . A 69 LEU HA H 1 4.734 . A 69 LEU HBy H 1 1.208 . A 69 LEU HBx H 1 0.329 . A 69 LEU HDx% H 1 -0.899 . A 69 LEU HDy% H 1 -0.899 . A 69 LEU HG H 1 -0.218 . A 69 LEU C C 13 174.741 . A 69 LEU CA C 13 52.643 . A 69 LEU CB C 13 41.834 . A 69 LEU CD1 C 13 20.806 . A 69 LEU CD2 C 13 20.806 . A 69 LEU CG C 13 25.825 . A 69 LEU N N 15 126.483 . A 70 HIS H H 1 9.307 . A 70 HIS HA H 1 5.224 . A 70 HIS HBy H 1 2.702 . A 70 HIS HBx H 1 2.516 . A 70 HIS HD2 H 1 7.068 . A 70 HIS C C 13 171.213 . A 70 HIS CA C 13 53.007 . A 70 HIS CB C 13 30.025 . A 70 HIS CD2 C 13 119.799 . A 70 HIS N N 15 120.324 . A 71 ASP H H 1 7.753 . A 71 ASP CA C 13 49.464 . A 71 ASP CB C 13 39.926 . A 71 ASP N N 15 118.634 . A 72 PRO HA H 1 3.932 . A 72 PRO HBy H 1 1.839 . A 72 PRO HBx H 1 1.731 . A 72 PRO HDx H 1 3.421 . A 72 PRO HDy H 1 3.421 . A 72 PRO HGy H 1 1.628 . A 72 PRO HGx H 1 1.322 . A 72 PRO C C 13 178.036 . A 72 PRO CA C 13 63.544 . A 72 PRO CB C 13 30.751 . A 72 PRO CD C 13 49.038 . A 72 PRO CG C 13 26.217 . A 73 GLN H H 1 8.838 . A 73 GLN HA H 1 4.103 . A 73 GLN HBy H 1 2.025 . A 73 GLN HBx H 1 1.722 . A 73 GLN HE2y H 1 7.471 . A 73 GLN HE2x H 1 6.885 . A 73 GLN HGx H 1 2.122 . A 73 GLN HGy H 1 2.122 . A 73 GLN C C 13 174.867 . A 73 GLN CA C 13 54.733 . A 73 GLN CB C 13 27.118 . A 73 GLN CG C 13 33.824 . A 73 GLN N N 15 116.171 . A 73 GLN NE2 N 15 111.153 . A 74 LYS H H 1 7.390 . A 74 LYS HA H 1 3.045 . A 74 LYS HBy H 1 1.784 . A 74 LYS HBx H 1 1.123 . A 74 LYS HDx H 1 1.269 . A 74 LYS HDy H 1 1.269 . A 74 LYS HEx H 1 3.027 . A 74 LYS HEy H 1 3.027 . A 74 LYS HGx H 1 -0.186 . A 74 LYS HGy H 1 0.664 . A 74 LYS C C 13 175.263 . A 74 LYS CA C 13 56.438 . A 74 LYS CB C 13 27.663 . A 74 LYS CD C 13 28.413 . A 74 LYS CE C 13 41.274 . A 74 LYS CG C 13 23.864 . A 74 LYS N N 15 114.111 . A 75 ARG H H 1 7.973 . A 75 ARG HA H 1 4.569 . A 75 ARG HBy H 1 1.808 . A 75 ARG HBx H 1 1.241 . A 75 ARG HDx H 1 2.983 . A 75 ARG HDy H 1 2.983 . A 75 ARG HGy H 1 1.328 . A 75 ARG HGx H 1 1.279 . A 75 ARG C C 13 175.011 . A 75 ARG CA C 13 53.824 . A 75 ARG CB C 13 30.479 . A 75 ARG CD C 13 42.686 . A 75 ARG CG C 13 25.668 . A 75 ARG N N 15 118.142 . A 76 GLN H H 1 9.931 . A 76 GLN HA H 1 2.851 . A 76 GLN HBx H 1 2.267 . A 76 GLN HBy H 1 2.267 . A 76 GLN HE2y H 1 7.508 . A 76 GLN HE2x H 1 6.902 . A 76 GLN HGx H 1 2.219 . A 76 GLN HGy H 1 2.219 . A 76 GLN C C 13 174.869 . A 76 GLN CA C 13 55.823 . A 76 GLN CB C 13 24.393 . A 76 GLN CG C 13 32.961 . A 76 GLN N N 15 120.180 . A 76 GLN NE2 N 15 112.675 . A 77 GLN H H 1 7.465 . A 77 GLN HA H 1 4.477 . A 77 GLN HBy H 1 1.862 . A 77 GLN HBx H 1 1.457 . A 77 GLN HE2y H 1 7.386 . A 77 GLN HE2x H 1 6.798 . A 77 GLN HGx H 1 2.106 . A 77 GLN HGy H 1 2.106 . A 77 GLN C C 13 173.805 . A 77 GLN CA C 13 52.734 . A 77 GLN CB C 13 27.572 . A 77 GLN CG C 13 32.569 . A 77 GLN N N 15 122.196 . A 77 GLN NE2 N 15 111.521 . A 78 TRP H H 1 7.115 . A 78 TRP HA H 1 4.025 . A 78 TRP HBy H 1 2.453 . A 78 TRP HBx H 1 2.212 . A 78 TRP HD1 H 1 7.088 . A 78 TRP HE1 H 1 9.661 . A 78 TRP C C 13 174.903 . A 78 TRP CA C 13 56.641 . A 78 TRP CB C 13 28.026 . A 78 TRP CD1 C 13 126.725 . A 78 TRP N N 15 122.913 . A 78 TRP NE1 N 15 128.886 . A 79 GLN H H 1 8.932 . A 79 GLN HA H 1 4.531 . A 79 GLN HBy H 1 2.337 . A 79 GLN HBx H 1 2.079 . A 79 GLN HE2y H 1 7.416 . A 79 GLN HE2x H 1 6.908 . A 79 GLN HGx H 1 2.426 . A 79 GLN HGy H 1 2.426 . A 79 GLN C C 13 179.047 . A 79 GLN CA C 13 53.097 . A 79 GLN CB C 13 32.477 . A 79 GLN CG C 13 32.726 . A 79 GLN N N 15 116.553 . A 79 GLN NE2 N 15 112.659 . A 80 TRP H H 1 9.191 . A 80 TRP HA H 1 5.403 . A 80 TRP HBy H 1 3.527 . A 80 TRP HBx H 1 3.426 . A 80 TRP HD1 H 1 7.562 . A 80 TRP HE1 H 1 10.525 . A 80 TRP C C 13 180.161 . A 80 TRP CA C 13 54.733 . A 80 TRP CB C 13 30.025 . A 80 TRP N N 15 124.479 . A 80 TRP NE1 N 15 128.001 . A 81 ILE H H 1 9.687 . A 81 ILE HA H 1 4.555 . A 81 ILE HB H 1 1.808 . A 81 ILE HD1% H 1 1.025 . A 81 ILE HG12 H 1 1.431 . A 81 ILE HG13 H 1 1.255 . A 81 ILE HG21 H 1 1.134 . A 81 ILE HG22 H 1 1.134 . A 81 ILE HG23 H 1 1.134 . A 81 ILE C C 13 174.363 . A 81 ILE CA C 13 60.183 . A 81 ILE CB C 13 38.382 . A 81 ILE CD1 C 13 14.139 . A 81 ILE CG1 C 13 29.118 . A 81 ILE CG2 C 13 19.081 . A 81 ILE N N 15 127.279 . A 82 ASP H H 1 8.224 . A 82 ASP HA H 1 3.667 . A 82 ASP HBy H 1 3.115 . A 82 ASP HBx H 1 2.329 . A 82 ASP C C 13 177.136 . A 82 ASP CA C 13 52.371 . A 82 ASP CB C 13 39.835 . A 82 ASP N N 15 119.224 . A 83 GLY H H 1 8.066 . A 83 GLY HAy H 1 4.228 . A 83 GLY HAx H 1 3.846 . A 83 GLY C C 13 174.615 . A 83 GLY CA C 13 44.286 . A 83 GLY N N 15 107.832 . A 84 ALA H H 1 8.257 . A 84 ALA HA H 1 4.212 . A 84 ALA HB% H 1 1.302 . A 84 ALA C C 13 176.829 . A 84 ALA CA C 13 51.917 . A 84 ALA CB C 13 18.942 . A 84 ALA N N 15 124.921 . A 85 MET H H 1 8.575 . A 85 MET HA H 1 4.453 . A 85 MET HBy H 1 2.158 . A 85 MET HBx H 1 2.057 . A 85 MET HGy H 1 2.751 . A 85 MET HGx H 1 2.627 . A 85 MET C C 13 176.487 . A 85 MET CA C 13 55.641 . A 85 MET CB C 13 32.296 . A 85 MET CG C 13 31.628 . A 85 MET N N 15 120.063 . A 86 TYR H H 1 8.927 . A 86 TYR HA H 1 5.309 . A 86 TYR HBy H 1 3.169 . A 86 TYR HBx H 1 2.983 . A 86 TYR HDx H 1 7.094 . A 86 TYR HDy H 1 7.094 . A 86 TYR HEx H 1 6.531 . A 86 TYR HEy H 1 6.531 . A 86 TYR C C 13 173.887 . A 86 TYR CA C 13 55.641 . A 86 TYR CB C 13 37.019 . A 86 TYR CDx C 13 132.969 . A 86 TYR CDy C 13 132.969 . A 86 TYR CEx C 13 119.108 . A 86 TYR CEy C 13 119.108 . A 86 TYR N N 15 126.474 . A 87 LEU H H 1 8.861 . A 87 LEU HA H 1 4.359 . A 87 LEU HBy H 1 1.761 . A 87 LEU HBx H 1 1.699 . A 87 LEU HDx% H 1 0.966 . A 87 LEU HDy% H 1 0.966 . A 87 LEU HG H 1 1.534 . A 87 LEU C C 13 175.317 . A 87 LEU CA C 13 56.004 . A 87 LEU CB C 13 42.924 . A 87 LEU CD1 C 13 23.786 . A 87 LEU CD2 C 13 23.786 . A 87 LEU CG C 13 26.529 . A 87 LEU N N 15 131.547 . A 88 TYR H H 1 8.525 . A 88 TYR HA H 1 4.313 . A 88 TYR HBy H 1 3.146 . A 88 TYR HBx H 1 2.702 . A 88 TYR HDx H 1 7.156 . A 88 TYR HDy H 1 7.156 . A 88 TYR HEx H 1 6.505 . A 88 TYR HEy H 1 6.505 . A 88 TYR C C 13 174.039 . A 88 TYR CA C 13 58.821 . A 88 TYR CB C 13 38.386 . A 88 TYR CDx C 13 132.996 . A 88 TYR CDy C 13 132.996 . A 88 TYR CEx C 13 117.583 . A 88 TYR CEy C 13 117.583 . A 88 TYR N N 15 123.409 . A 89 ARG H H 1 7.297 . A 89 ARG HA H 1 4.593 . A 89 ARG HBy H 1 1.831 . A 89 ARG HBx H 1 1.613 . A 89 ARG HDx H 1 2.844 . A 89 ARG HDy H 1 2.985 . A 89 ARG HGx H 1 2.077 . A 89 ARG HGy H 1 2.077 . A 89 ARG C C 13 175.209 . A 89 ARG CA C 13 53.279 . A 89 ARG CB C 13 31.206 . A 89 ARG CD C 13 37.118 . A 89 ARG CG C 13 32.334 . A 89 ARG N N 15 121.500 . A 90 SER H H 1 8.376 . A 90 SER HA H 1 3.932 . A 90 SER HBy H 1 2.601 . A 90 SER HBx H 1 2.352 . A 90 SER C C 13 172.689 . A 90 SER CA C 13 58.131 . A 90 SER CB C 13 61.786 . A 90 SER N N 15 118.028 . A 91 TRP H H 1 7.983 . A 91 TRP HA H 1 4.741 . A 91 TRP HBy H 1 3.379 . A 91 TRP HBx H 1 2.858 . A 91 TRP HD1 H 1 7.166 . A 91 TRP C C 13 177.406 . A 91 TRP CA C 13 56.095 . A 91 TRP CB C 13 29.752 . A 91 TRP CD1 C 13 124.541 . A 91 TRP N N 15 123.172 . A 92 SER H H 1 9.358 . A 92 SER HA H 1 4.352 . A 92 SER HBy H 1 3.924 . A 92 SER HBx H 1 3.854 . A 92 SER C C 13 174.651 . A 92 SER CA C 13 58.094 . A 92 SER CB C 13 63.271 . A 92 SER N N 15 117.384 . A 93 GLY H H 1 8.294 . A 93 GLY HAy H 1 3.488 . A 93 GLY HAx H 1 3.294 . A 93 GLY C C 13 173.751 . A 93 GLY CA C 13 44.651 . A 93 GLY N N 15 110.440 . A 94 LYS H H 1 8.151 . A 94 LYS HA H 1 4.282 . A 94 LYS HBy H 1 1.808 . A 94 LYS HBx H 1 1.652 . A 94 LYS HDx H 1 1.578 . A 94 LYS HDy H 1 1.578 . A 94 LYS HEx H 1 2.904 . A 94 LYS HEy H 1 2.904 . A 94 LYS HGx H 1 1.312 . A 94 LYS HGy H 1 1.312 . A 94 LYS C C 13 176.361 . A 94 LYS CA C 13 55.368 . A 94 LYS CB C 13 32.114 . A 94 LYS CD C 13 28.334 . A 94 LYS CE C 13 41.509 . A 94 LYS CG C 13 24.021 . A 94 LYS N N 15 121.007 . A 95 SER H H 1 8.251 . A 95 SER HA H 1 4.352 . A 95 SER HBx H 1 3.784 . A 95 SER HBy H 1 3.784 . A 95 SER C C 13 174.525 . A 95 SER CA C 13 57.731 . A 95 SER CB C 13 62.908 . A 95 SER N N 15 116.664 . A 96 MET H H 1 8.425 . A 96 MET HA H 1 4.492 . A 96 MET HBy H 1 1.994 . A 96 MET HBx H 1 1.831 . A 96 MET HGy H 1 2.417 . A 96 MET HGx H 1 2.328 . A 96 MET C C 13 176.307 . A 96 MET CA C 13 54.278 . A 96 MET CB C 13 32.205 . A 96 MET CG C 13 31.314 . A 96 MET N N 15 123.128 . A 97 GLY H H 1 8.268 . A 97 GLY HAy H 1 3.994 . A 97 GLY HAx H 1 3.871 . A 97 GLY C C 13 174.219 . A 97 GLY CA C 13 44.286 . A 97 GLY N N 15 109.276 . A 98 GLY H H 1 8.393 . A 98 GLY HAx H 1 3.878 . A 98 GLY HAy H 1 3.878 . A 98 GLY C C 13 174.221 . A 98 GLY CA C 13 44.741 . A 98 GLY N N 15 108.448 . A 99 ASN H H 1 8.694 . A 99 ASN HA H 1 4.741 . A 99 ASN HBy H 1 2.975 . A 99 ASN HBx H 1 2.757 . A 99 ASN HD2y H 1 7.728 . A 99 ASN HD2x H 1 6.936 . A 99 ASN C C 13 174.651 . A 99 ASN CA C 13 51.826 . A 99 ASN CB C 13 37.019 . A 99 ASN N N 15 119.184 . A 99 ASN ND2 N 15 112.377 . A 100 LYS H H 1 7.264 . A 100 LYS HA H 1 4.181 . A 100 LYS HBy H 1 1.714 . A 100 LYS HBx H 1 1.395 . A 100 LYS HDx H 1 1.538 . A 100 LYS HDy H 1 1.538 . A 100 LYS HEx H 1 3.009 . A 100 LYS HEy H 1 3.009 . A 100 LYS HGx H 1 1.112 . A 100 LYS HGy H 1 1.112 . A 100 LYS C C 13 175.857 . A 100 LYS CA C 13 55.096 . A 100 LYS CB C 13 32.386 . A 100 LYS CD C 13 28.962 . A 100 LYS CE C 13 41.902 . A 100 LYS CG C 13 24.491 . A 100 LYS N N 15 120.669 . A 101 HIS H H 1 8.167 . A 101 HIS HA H 1 4.944 . A 101 HIS HBy H 1 3.418 . A 101 HIS HBx H 1 2.998 . A 101 HIS HD2 H 1 7.241 . A 101 HIS C C 13 172.977 . A 101 HIS CA C 13 54.642 . A 101 HIS CB C 13 27.935 . A 101 HIS CD2 C 13 119.699 . A 101 HIS N N 15 117.580 . A 102 CYS H H 1 8.478 . A 102 CYS HA H 1 4.921 . A 102 CYS HBy H 1 2.656 . A 102 CYS HBx H 1 2.499 . A 102 CYS C C 13 171.321 . A 102 CYS CA C 13 59.547 . A 102 CYS CB C 13 47.284 . A 102 CYS N N 15 119.085 . A 103 ALA H H 1 8.239 . A 103 ALA HA H 1 5.551 . A 103 ALA HB% H 1 1.076 . A 103 ALA C C 13 173.607 . A 103 ALA CA C 13 50.578 . A 103 ALA CB C 13 22.255 . A 103 ALA N N 15 123.430 . A 104 GLU H H 1 8.945 . A 104 GLU HA H 1 5.675 . A 104 GLU HBx H 1 1.761 . A 104 GLU HBy H 1 1.761 . A 104 GLU HGx H 1 2.589 . A 104 GLU HGy H 1 2.589 . A 104 GLU C C 13 173.767 . A 104 GLU CA C 13 51.138 . A 104 GLU CB C 13 32.328 . A 104 GLU CG C 13 32.804 . A 104 GLU N N 15 115.375 . A 105 MET H H 1 9.474 . A 105 MET HA H 1 4.842 . A 105 MET HBy H 1 2.329 . A 105 MET HBx H 1 2.142 . A 105 MET HGx H 1 2.605 . A 105 MET HGy H 1 2.688 . A 105 MET C C 13 176.307 . A 105 MET CA C 13 55.168 . A 105 MET CB C 13 35.129 . A 105 MET CG C 13 31.471 . A 105 MET N N 15 119.184 . A 106 SER H H 1 8.735 . A 106 SER HA H 1 4.352 . A 106 SER HBy H 1 3.807 . A 106 SER HBx H 1 3.753 . A 106 SER C C 13 174.525 . A 106 SER CA C 13 56.735 . A 106 SER CB C 13 63.116 . A 106 SER N N 15 118.336 . A 107 SER H H 1 8.424 . A 107 SER N N 15 123.634 . A 108 ASN HA H 1 4.734 . A 108 ASN HBy H 1 1.948 . A 108 ASN HBx H 1 1.255 . A 108 ASN HD2y H 1 7.458 . A 108 ASN HD2x H 1 6.558 . A 108 ASN C C 13 174.354 . A 108 ASN CA C 13 54.944 . A 108 ASN CB C 13 31.435 . A 108 ASN ND2 N 15 111.521 . A 109 ASN H H 1 7.656 . A 109 ASN HA H 1 4.827 . A 109 ASN HBx H 1 2.951 . A 109 ASN HBy H 1 3.488 . A 109 ASN C C 13 170.979 . A 109 ASN CA C 13 54.906 . A 109 ASN CB C 13 28.055 . A 109 ASN N N 15 115.977 . A 110 ASN H H 1 8.766 . A 110 ASN HA H 1 4.269 . A 110 ASN HBy H 1 1.731 . A 110 ASN HBx H 1 1.523 . A 110 ASN CA C 13 54.906 . A 110 ASN CB C 13 42.539 . A 110 ASN N N 15 124.424 . A 111 PHE H H 1 7.753 . A 111 PHE HA H 1 4.889 . A 111 PHE HBy H 1 2.913 . A 111 PHE HBx H 1 2.316 . A 111 PHE HDx H 1 7.069 . A 111 PHE HDy H 1 7.069 . A 111 PHE HEx H 1 6.817 . A 111 PHE HEy H 1 6.817 . A 111 PHE C C 13 174.957 . A 111 PHE CA C 13 51.251 . A 111 PHE CB C 13 37.816 . A 111 PHE CDx C 13 133.251 . A 111 PHE CDy C 13 133.251 . A 111 PHE CEx C 13 130.790 . A 111 PHE CEy C 13 130.790 . A 111 PHE N N 15 108.647 . A 112 LEU H H 1 7.758 . A 112 LEU HA H 1 4.002 . A 112 LEU HBy H 1 2.695 . A 112 LEU HBx H 1 2.368 . A 112 LEU C C 13 175.209 . A 112 LEU CA C 13 54.161 . A 112 LEU CB C 13 36.137 . A 112 LEU N N 15 115.334 . A 113 THR H H 1 8.378 . A 113 THR HA H 1 4.765 . A 113 THR HB H 1 3.597 . A 113 THR HG2% H 1 0.958 . A 113 THR C C 13 175.263 . A 113 THR CA C 13 58.974 . A 113 THR CB C 13 62.781 . A 113 THR CG2 C 13 20.649 . A 113 THR N N 15 118.622 . A 114 TRP H H 1 7.739 . A 114 TRP HA H 1 6.064 . A 114 TRP HBy H 1 2.501 . A 114 TRP HBx H 1 2.259 . A 114 TRP HE1 H 1 11.137 . A 114 TRP C C 13 176.649 . A 114 TRP CA C 13 51.809 . A 114 TRP CB C 13 30.203 . A 114 TRP N N 15 116.909 . A 114 TRP NE1 N 15 130.850 . A 115 SER H H 1 9.010 . A 115 SER HA H 1 5.379 . A 115 SER HBy H 1 3.994 . A 115 SER HBx H 1 3.815 . A 115 SER C C 13 173.679 . A 115 SER CA C 13 55.952 . A 115 SER CB C 13 65.243 . A 115 SER N N 15 114.463 . A 116 SER H H 1 8.992 . A 116 SER HA H 1 5.356 . A 116 SER HBy H 1 4.111 . A 116 SER HBx H 1 3.924 . A 116 SER C C 13 173.697 . A 116 SER CA C 13 56.175 . A 116 SER CB C 13 64.461 . A 116 SER N N 15 119.216 . A 117 ASN H H 1 9.784 . A 117 ASN HA H 1 4.835 . A 117 ASN HBy H 1 2.874 . A 117 ASN HBx H 1 2.586 . A 117 ASN HD2y H 1 7.371 . A 117 ASN HD2x H 1 6.771 . A 117 ASN C C 13 173.895 . A 117 ASN CA C 13 50.354 . A 117 ASN CB C 13 41.174 . A 117 ASN N N 15 120.373 . A 117 ASN ND2 N 15 112.078 . A 118 GLU H H 1 9.319 . A 118 GLU HA H 1 4.625 . A 118 GLU HBy H 1 2.359 . A 118 GLU HBx H 1 2.088 . A 118 GLU HGy H 1 2.484 . A 118 GLU HGx H 1 2.416 . A 118 GLU C C 13 178.181 . A 118 GLU CA C 13 56.623 . A 118 GLU CB C 13 28.972 . A 118 GLU CG C 13 36.098 . A 118 GLU N N 15 122.293 . A 119 CYS H H 1 9.087 . A 119 CYS HA H 1 4.181 . A 119 CYS HBy H 1 3.169 . A 119 CYS HBx H 1 3.006 . A 119 CYS C C 13 174.759 . A 119 CYS CA C 13 57.295 . A 119 CYS CB C 13 43.973 . A 119 CYS N N 15 122.946 . A 120 ASN H H 1 8.554 . A 120 ASN HA H 1 4.749 . A 120 ASN HBy H 1 3.045 . A 120 ASN HBx H 1 2.889 . A 120 ASN HD2y H 1 7.673 . A 120 ASN HD2x H 1 7.008 . A 120 ASN C C 13 175.605 . A 120 ASN CA C 13 53.377 . A 120 ASN CB C 13 37.368 . A 120 ASN N N 15 114.878 . A 120 ASN ND2 N 15 112.324 . A 121 LYS H H 1 8.337 . A 121 LYS HA H 1 4.243 . A 121 LYS HBy H 1 2.119 . A 121 LYS HBx H 1 1.909 . A 121 LYS HDx H 1 1.586 . A 121 LYS HDy H 1 1.586 . A 121 LYS HEx H 1 2.895 . A 121 LYS HEy H 1 2.895 . A 121 LYS HGy H 1 1.522 . A 121 LYS HGx H 1 1.376 . A 121 LYS C C 13 175.443 . A 121 LYS CA C 13 56.623 . A 121 LYS CB C 13 31.883 . A 121 LYS CD C 13 28.413 . A 121 LYS CE C 13 41.666 . A 121 LYS CG C 13 25.197 . A 121 LYS N N 15 123.944 . A 122 ARG H H 1 8.563 . A 122 ARG HA H 1 4.321 . A 122 ARG HBy H 1 1.854 . A 122 ARG HBx H 1 1.311 . A 122 ARG HDx H 1 3.288 . A 122 ARG HDy H 1 3.288 . A 122 ARG HGy H 1 1.919 . A 122 ARG HGx H 1 1.474 . A 122 ARG C C 13 174.885 . A 122 ARG CA C 13 54.721 . A 122 ARG CB C 13 29.532 . A 122 ARG CD C 13 43.156 . A 122 ARG CG C 13 27.236 . A 122 ARG N N 15 122.817 . A 123 GLN H H 1 8.901 . A 123 GLN HA H 1 4.392 . A 123 GLN HBx H 1 1.357 . A 123 GLN HBy H 1 1.661 . A 123 GLN HE2y H 1 7.156 . A 123 GLN HE2x H 1 6.755 . A 123 GLN CA C 13 56.287 . A 123 GLN CB C 13 31.323 . A 123 GLN N N 15 121.485 . A 123 GLN NE2 N 15 112.270 . A 124 HIS HA H 1 5.558 . A 124 HIS HBy H 1 3.644 . A 124 HIS HBx H 1 3.146 . A 124 HIS C C 13 174.525 . A 124 HIS CA C 13 54.272 . A 124 HIS CB C 13 32.778 . A 125 PHE H H 1 8.153 . A 125 PHE HA H 1 5.636 . A 125 PHE HBy H 1 3.481 . A 125 PHE HBx H 1 2.983 . A 125 PHE HDx H 1 6.960 . A 125 PHE HDy H 1 6.960 . A 125 PHE HEx H 1 7.066 . A 125 PHE HEy H 1 7.066 . A 125 PHE C C 13 171.303 . A 125 PHE CA C 13 56.175 . A 125 PHE CB C 13 41.286 . A 125 PHE CDx C 13 133.161 . A 125 PHE CDy C 13 133.161 . A 125 PHE CEx C 13 130.421 . A 125 PHE CEy C 13 130.421 . A 125 PHE N N 15 111.228 . A 126 LEU H H 1 7.720 . A 126 LEU HA H 1 5.543 . A 126 LEU HBy H 1 2.134 . A 126 LEU HBx H 1 1.193 . A 126 LEU HDx% H 1 1.654 . A 126 LEU HDy% H 1 0.904 . A 126 LEU HG H 1 0.844 . A 126 LEU C C 13 175.371 . A 126 LEU CA C 13 52.145 . A 126 LEU CB C 13 46.324 . A 126 LEU CD1 C 13 26.543 . A 126 LEU CD2 C 13 23.158 . A 126 LEU CG C 13 26.766 . A 126 LEU N N 15 121.526 . A 127 CYS H H 1 9.688 . A 127 CYS HA H 1 5.801 . A 127 CYS HBy H 1 3.286 . A 127 CYS HBx H 1 2.827 . A 127 CYS C C 13 174.633 . A 127 CYS CA C 13 51.697 . A 127 CYS CB C 13 40.391 . A 127 CYS N N 15 124.281 . A 128 LYS H H 1 9.572 . A 128 LYS HA H 1 5.871 . A 128 LYS HBy H 1 2.142 . A 128 LYS HBx H 1 1.629 . A 128 LYS HDx H 1 1.705 . A 128 LYS HDy H 1 1.705 . A 128 LYS HEx H 1 2.655 . A 128 LYS HEy H 1 2.655 . A 128 LYS HGy H 1 0.918 . A 128 LYS HGx H 1 0.611 . A 128 LYS C C 13 175.209 . A 128 LYS CA C 13 54.721 . A 128 LYS CB C 13 37.481 . A 128 LYS CD C 13 30.531 . A 128 LYS CE C 13 41.039 . A 128 LYS CG C 13 24.099 . A 128 LYS N N 15 123.962 . A 129 TYR H H 1 8.901 . A 129 TYR HA H 1 4.851 . A 129 TYR HBy H 1 2.967 . A 129 TYR HBx H 1 2.617 . A 129 TYR C C 13 171.177 . A 129 TYR CA C 13 56.287 . A 129 TYR CB C 13 39.943 . A 129 TYR N N 15 121.478 . A 130 ARG H H 1 8.862 . A 130 ARG CA C 13 52.033 . A 130 ARG CB C 13 30.539 . A 130 ARG N N 15 124.204 . stop_ save_ save_CNS/XPLOR_distance_constraints_2 _nef_distance_restraint_list.sf_category nef_distance_restraint_list _nef_distance_restraint_list.sf_framecode CNS/XPLOR_distance_constraints_2 _nef_distance_restraint_list.restraint_origin noe _nef_distance_restraint_list.potential_type square-well-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 96 MET HA A 97 GLY HAy 1.0 3.5 5.0 2 1 A 96 MET HA A 97 GLY HAx 1.0 3.5 5.0 3 2 A 96 MET HA A 96 MET HGy 1.0 2.5 3.5 4 2 A 96 MET HA A 96 MET HGx 1.0 2.5 3.5 5 3 A 96 MET HA A 96 MET HBy 1.0 2.5 3.5 6 3 A 96 MET HA A 96 MET HBx 1.0 2.5 3.5 7 4 A 94 LYS HEx A 94 LYS HGx 1.0 2.5 4.0 8 4 A 94 LYS HEy A 94 LYS HGx 1.0 2.5 4.0 9 4 A 94 LYS HGy A 94 LYS HEx 1.0 2.5 4.0 10 4 A 94 LYS HGy A 94 LYS HEy 1.0 2.5 4.0 11 5 A 94 LYS HDx A 94 LYS HGx 1.0 2.0 3.5 12 5 A 94 LYS HDy A 94 LYS HGx 1.0 2.0 3.5 13 5 A 94 LYS HGy A 94 LYS HDx 1.0 2.0 3.5 14 5 A 94 LYS HGy A 94 LYS HDy 1.0 2.0 3.5 15 6 A 94 LYS HA A 94 LYS HGx 1.0 2.5 4.0 16 6 A 94 LYS HGy A 94 LYS HA 1.0 2.5 4.0 17 7 A 103 ALA HB% A 67 ILE HG12 1.0 3.8 5.3 18 7 A 103 ALA HB% A 67 ILE HG13 1.0 3.8 5.3 19 8 A 103 ALA HB% A 99 ASN HD2x 1.0 2.5 5.0 20 8 A 103 ALA HB% A 99 ASN HD2y 1.0 2.5 5.0 21 9 A 69 LEU HA A 80 TRP HBy 1.0 4.4 5.4 22 9 A 80 TRP HBx A 69 LEU HA 1.0 4.4 5.4 23 10 A 84 ALA HB% A 80 TRP HBy 1.0 3.2 4.2 24 10 A 80 TRP HBx A 84 ALA HB% 1.0 3.2 4.2 25 11 A 88 TYR HD% A 88 TYR HBy 1.0 2.0 3.0 26 11 A 88 TYR HBx A 88 TYR HD% 1.0 2.0 3.0 27 12 A 81 ILE HA A 79 GLN HE2y 1.0 4.3 5.8 28 12 A 81 ILE HA A 79 GLN HE2x 1.0 4.3 5.8 29 13 A 81 ILE HA A 82 ASP HA 1.0 3.4 4.9 30 14 A 72 PRO HDx A 77 GLN HBy 1.0 3.5 5.0 31 14 A 72 PRO HDy A 77 GLN HBy 1.0 3.5 5.0 32 14 A 77 GLN HBx A 72 PRO HDx 1.0 3.5 5.0 33 14 A 77 GLN HBx A 72 PRO HDy 1.0 3.5 5.0 34 15 A 85 MET HA A 44 LEU HDx% 1.0 3.5 5.0 35 16 A 85 MET HA A 86 TYR HA 1.0 3.5 5.0 36 17 A 85 MET HA A 86 TYR HBy 1.0 3.5 5.0 37 17 A 85 MET HA A 86 TYR HBx 1.0 3.5 5.0 38 18 A 69 LEU HDy% A 99 ASN HBy 1.0 4.0 5.5 39 18 A 69 LEU HDx% A 99 ASN HBy 1.0 4.0 5.5 40 18 A 99 ASN HBx A 69 LEU HDx% 1.0 4.0 5.5 41 18 A 99 ASN HBx A 69 LEU HDy% 1.0 4.0 5.5 42 19 A 78 TRP HBx A 99 ASN HBy 1.0 3.0 4.5 43 19 A 78 TRP HBy A 99 ASN HBy 1.0 3.0 4.5 44 19 A 99 ASN HBx A 78 TRP HBy 1.0 3.0 4.5 45 19 A 99 ASN HBx A 78 TRP HBx 1.0 3.0 4.5 46 20 A 102 CYS HA A 99 ASN HBy 1.0 3.8 5.3 47 20 A 99 ASN HBx A 102 CYS HA 1.0 3.8 5.3 48 21 A 72 PRO HA A 77 GLN HE2y 1.0 4.0 5.5 49 21 A 72 PRO HA A 77 GLN HE2x 1.0 4.0 5.5 50 22 A 66 TRP HA A 104 GLU HBx 1.0 3.0 5.0 51 22 A 66 TRP HA A 104 GLU HBy 1.0 3.0 5.0 52 23 A 66 TRP HA A 105 MET HGx 1.0 3.5 5.5 53 23 A 66 TRP HA A 105 MET HGy 1.0 3.5 5.5 54 24 A 104 GLU HA A 66 TRP HE1 1.0 3.0 4.5 55 25 A 104 GLU HA A 66 TRP HD1 1.0 3.0 4.5 56 26 A 124 HIS HA A 18 PHE HBy 1.0 3.2 5.2 57 26 A 124 HIS HA A 18 PHE HBx 1.0 3.2 5.2 58 27 A 124 HIS HA A 19 ARG HA 1.0 2.7 4.2 59 28 A 124 HIS HA A 21 LEU HA 1.0 2.5 4.0 60 29 A 87 LEU HDy% A 85 MET HBy 1.0 3.7 5.2 61 29 A 85 MET HBx A 87 LEU HDy% 1.0 3.7 5.2 62 30 A 24 TRP HE1 A 68 GLY HAy 1.0 2.0 4.0 63 30 A 68 GLY HAx A 24 TRP HE1 1.0 2.0 4.0 64 31 A 40 LEU HBx A 68 GLY HAy 1.0 2.5 4.5 65 31 A 40 LEU HBy A 68 GLY HAy 1.0 2.5 4.5 66 31 A 68 GLY HAx A 40 LEU HBx 1.0 2.5 4.5 67 31 A 68 GLY HAx A 40 LEU HBy 1.0 2.5 4.5 68 32 A 67 ILE HA A 40 LEU HBx 1.0 3.0 5.0 69 32 A 40 LEU HBy A 67 ILE HA 1.0 3.0 5.0 70 33 A 69 LEU HA A 80 TRP HA 1.0 2.5 4.0 71 34 A 80 TRP HA A 69 LEU HDx% 1.0 3.9 5.4 72 34 A 69 LEU HDy% A 80 TRP HA 1.0 3.9 5.4 73 35 A 69 LEU HA A 80 TRP HA 1.0 2.5 3.5 74 36 A 80 TRP HA A 69 LEU H 1.0 3.5 5.5 75 37 A 92 SER HA A 93 GLY HAy 1.0 3.5 5.0 76 37 A 92 SER HA A 93 GLY HAx 1.0 3.5 5.0 77 38 A 28 GLU HA A 40 LEU HDx% 1.0 2.5 4.5 78 39 A 66 TRP HBy A 40 LEU HDx% 1.0 2.5 4.2 79 39 A 40 LEU HDx% A 66 TRP HBx 1.0 2.5 4.2 80 40 A 67 ILE HA A 40 LEU HDx% 1.0 2.5 5.0 81 41 A 67 ILE HA A 40 LEU HDy% 1.0 2.5 5.0 82 42 A 67 ILE HA A 40 LEU HDx% 1.0 2.5 5.0 83 43 A 66 TRP HBy A 40 LEU HDy% 1.0 2.8 4.5 84 43 A 40 LEU HDy% A 66 TRP HBx 1.0 2.8 4.5 85 44 A 2 SER HA A 1 GLN HBy 1.0 2.7 4.7 86 44 A 2 SER HA A 1 GLN HBx 1.0 2.7 4.7 87 45 A 2 SER HA A 3 CYS HBx 1.0 3.0 5.5 88 45 A 2 SER HA A 3 CYS HBy 1.0 3.0 5.5 89 46 A 10 HIS HA A 9 TYR HA 1.0 3.0 5.5 90 47 A 129 TYR HDy A 15 TYR HBy 1.0 2.5 5.0 91 47 A 15 TYR HBx A 129 TYR HDy 1.0 2.5 5.0 92 48 A 91 TRP HA A 90 SER HA 1.0 2.5 5.0 93 49 A 2 SER H A 2 SER HBy 1.0 2.0 4.5 94 49 A 2 SER H A 2 SER HBx 1.0 2.0 4.5 95 50 A 3 CYS H A 2 SER HBy 1.0 2.0 4.5 96 50 A 2 SER HBx A 3 CYS H 1.0 2.0 4.5 97 51 A 2 SER H A 3 CYS H 1.0 1.8 5.0 98 52 A 3 CYS H A 2 SER HG 1.0 2.8 4.5 99 53 A 3 CYS H A 2 SER HBy 1.0 2.9 4.1 100 53 A 2 SER HBx A 3 CYS H 1.0 2.9 4.1 101 54 A 2 SER H A 3 CYS H 1.0 2.5 4.5 102 55 A 3 CYS H A 3 CYS HBx 1.0 2.0 4.5 103 55 A 3 CYS HBy A 3 CYS H 1.0 2.0 4.5 104 56 A 3 CYS HA A 4 ALA H 1.0 2.0 4.5 105 57 A 4 ALA H A 3 CYS HBx 1.0 1.8 5.0 106 57 A 3 CYS HBy A 4 ALA H 1.0 1.8 5.0 107 58 A 4 ALA H A 3 CYS HBx 1.0 2.3 4.5 108 58 A 3 CYS HBy A 4 ALA H 1.0 2.3 4.5 109 59 A 3 CYS HA A 4 ALA H 1.0 2.3 3.5 110 60 A 4 ALA H A 2 SER HBy 1.0 3.0 4.8 111 60 A 2 SER HBx A 4 ALA H 1.0 3.0 4.8 112 61 A 4 ALA H A 7 TRP H 1.0 2.5 4.0 113 62 A 4 ALA H A 7 TRP HBy 1.0 2.0 3.5 114 62 A 4 ALA H A 7 TRP HBx 1.0 2.0 3.5 115 63 A 4 ALA H A 4 ALA HB% 1.0 2.0 4.5 116 64 A 4 ALA H A 5 PRO HDx 1.0 1.5 3.5 117 64 A 4 ALA H A 5 PRO HDy 1.0 1.5 3.5 118 65 A 4 ALA HB% A 5 PRO HA 1.0 3.8 5.8 119 66 A 5 PRO HA A 5 PRO HGx 1.0 2.5 4.0 120 66 A 5 PRO HA A 5 PRO HGy 1.0 2.5 4.0 121 67 A 4 ALA H A 5 PRO HA 1.0 3.5 5.5 122 68 A 5 PRO HBy A 5 PRO HGx 1.0 2.0 3.5 123 68 A 5 PRO HBx A 5 PRO HGx 1.0 2.0 3.5 124 68 A 5 PRO HGy A 5 PRO HBy 1.0 2.0 3.5 125 68 A 5 PRO HGy A 5 PRO HBx 1.0 2.0 3.5 126 69 A 2 SER HBx A 5 PRO HGx 1.0 3.7 5.2 127 69 A 2 SER HBy A 5 PRO HGx 1.0 3.7 5.2 128 69 A 5 PRO HGy A 2 SER HBy 1.0 3.7 5.2 129 69 A 2 SER HBx A 5 PRO HGy 1.0 3.7 5.2 130 70 A 6 GLY H A 5 PRO HBy 1.0 1.8 5.0 131 70 A 5 PRO HBx A 6 GLY H 1.0 1.8 5.0 132 71 A 5 PRO HA A 6 GLY H 1.0 2.0 4.0 133 72 A 6 GLY H A 5 PRO HBy 1.0 2.8 5.0 134 72 A 5 PRO HBx A 6 GLY H 1.0 2.8 5.0 135 73 A 6 GLY H A 6 GLY HAx 1.0 2.0 4.5 136 73 A 6 GLY H A 6 GLY HAy 1.0 2.0 4.5 137 74 A 7 TRP H A 6 GLY H 1.0 1.0 3.0 138 75 A 6 GLY H A 7 TRP HBy 1.0 1.8 5.0 139 75 A 7 TRP HBx A 6 GLY H 1.0 1.8 5.0 140 76 A 7 TRP H A 6 GLY HAx 1.0 1.8 4.0 141 76 A 7 TRP H A 6 GLY HAy 1.0 1.8 4.0 142 77 A 7 TRP H A 7 TRP HD1 1.0 3.2 5.2 143 78 A 7 TRP HD1 A 14 CYS HA 1.0 2.5 4.0 144 79 A 7 TRP HE1 A 15 TYR HA 1.0 2.5 4.5 145 80 A 14 CYS HA A 7 TRP HE1 1.0 2.0 3.5 146 81 A 7 TRP HE1 A 15 TYR HBy 1.0 3.5 5.5 147 81 A 15 TYR HBx A 7 TRP HE1 1.0 3.5 5.5 148 82 A 7 TRP H A 7 TRP HBy 1.0 2.0 5.0 149 82 A 7 TRP H A 7 TRP HBx 1.0 2.0 5.0 150 83 A 7 TRP HA A 8 PHE H 1.0 1.8 5.0 151 84 A 8 PHE H A 7 TRP HBy 1.0 1.8 5.0 152 84 A 7 TRP HBx A 8 PHE H 1.0 1.8 5.0 153 85 A 7 TRP H A 8 PHE H 1.0 1.8 5.0 154 86 A 7 TRP HA A 8 PHE H 1.0 1.8 4.0 155 87 A 8 PHE H A 7 TRP HBy 1.0 3.1 4.3 156 87 A 7 TRP HBx A 8 PHE H 1.0 3.1 4.3 157 88 A 7 TRP H A 8 PHE H 1.0 3.5 4.7 158 89 A 14 CYS HA A 8 PHE H 1.0 3.5 5.5 159 90 A 8 PHE H A 16 GLY HAx 1.0 3.3 5.3 160 90 A 8 PHE H A 16 GLY HAy 1.0 3.3 5.3 161 91 A 14 CYS HA A 8 PHE H 1.0 3.9 5.4 162 92 A 8 PHE H A 8 PHE HBy 1.0 1.8 5.0 163 92 A 8 PHE H A 8 PHE HBx 1.0 1.8 5.0 164 93 A 8 PHE H A 8 PHE HBy 1.0 1.8 5.0 165 93 A 8 PHE H A 8 PHE HBx 1.0 1.8 5.0 166 94 A 8 PHE HA A 9 TYR H 1.0 1.8 5.0 167 95 A 9 TYR H A 8 PHE HBy 1.0 1.8 5.0 168 95 A 8 PHE HBx A 9 TYR H 1.0 1.8 5.0 169 96 A 8 PHE H A 9 TYR H 1.0 2.5 4.5 170 97 A 8 PHE H A 9 TYR H 1.0 2.3 4.5 171 98 A 8 PHE HA A 9 TYR H 1.0 2.0 4.0 172 99 A 9 TYR H A 8 PHE HBy 1.0 2.0 4.2 173 99 A 8 PHE HBx A 9 TYR H 1.0 2.0 4.2 174 100 A 9 TYR HA A 9 TYR H 1.0 1.8 4.0 175 101 A 8 PHE HA A 9 TYR H 1.0 1.8 4.0 176 102 A 9 TYR HA A 14 CYS HA 1.0 2.0 5.0 177 103 A 8 PHE H A 9 TYR H 1.0 2.5 5.5 178 104 A 10 HIS HA A 9 TYR H 1.0 2.8 5.8 179 105 A 9 TYR H A 9 TYR HBy 1.0 2.0 4.5 180 105 A 9 TYR H A 9 TYR HBx 1.0 2.0 4.5 181 106 A 8 PHE H A 9 TYR H 1.0 1.8 5.0 182 107 A 9 TYR HA A 10 HIS H 1.0 1.8 3.0 183 108 A 10 HIS H A 9 TYR HBy 1.0 3.0 4.5 184 108 A 9 TYR HBx A 10 HIS H 1.0 3.0 4.5 185 109 A 14 CYS HA A 10 HIS H 1.0 3.2 4.2 186 110 A 10 HIS H A 13 ASN H 1.0 2.5 4.5 187 111 A 10 HIS HD2 A 11 LYS HBy 1.0 2.5 5.5 188 111 A 10 HIS HD2 A 11 LYS HBx 1.0 2.5 5.5 189 112 A 10 HIS H A 9 TYR HBy 1.0 1.5 5.5 190 112 A 9 TYR HBx A 10 HIS H 1.0 1.5 5.5 191 113 A 10 HIS H A 13 ASN HD2x 1.0 3.0 5.0 192 113 A 10 HIS H A 13 ASN HD2y 1.0 3.0 5.0 193 114 A 13 ASN H A 10 HIS HBy 1.0 3.3 5.3 194 114 A 13 ASN H A 10 HIS HBx 1.0 3.3 5.3 195 115 A 11 LYS H A 10 HIS HBy 1.0 1.8 5.0 196 115 A 10 HIS HBx A 11 LYS H 1.0 1.8 5.0 197 116 A 11 LYS H A 13 ASN HD2x 1.0 3.3 5.5 198 116 A 13 ASN HD2y A 11 LYS H 1.0 3.3 5.5 199 117 A 10 HIS HA A 11 LYS H 1.0 1.8 3.0 200 118 A 10 HIS H A 11 LYS H 1.0 2.5 5.0 201 119 A 13 ASN H A 11 LYS HGy 1.0 2.0 5.0 202 119 A 13 ASN H A 11 LYS HGx 1.0 2.0 5.0 203 120 A 13 ASN H A 11 LYS H 1.0 2.0 5.0 204 121 A 11 LYS H A 11 LYS HGy 1.0 2.0 3.5 205 121 A 11 LYS H A 11 LYS HGx 1.0 2.0 3.5 206 122 A 11 LYS H A 11 LYS HBy 1.0 2.6 3.8 207 122 A 11 LYS HBx A 11 LYS H 1.0 2.6 3.8 208 123 A 11 LYS H A 11 LYS HDx 1.0 3.5 5.0 209 123 A 11 LYS H A 11 LYS HDy 1.0 3.5 5.0 210 124 A 11 LYS H A 12 SER H 1.0 2.5 4.5 211 125 A 12 SER H A 11 LYS HGy 1.0 1.8 5.0 212 125 A 11 LYS HGx A 12 SER H 1.0 1.8 5.0 213 126 A 12 SER H A 11 LYS HBy 1.0 2.0 4.0 214 126 A 11 LYS HBx A 12 SER H 1.0 2.0 4.0 215 127 A 12 SER H A 12 SER HBx 1.0 2.0 4.5 216 127 A 12 SER H A 12 SER HBy 1.0 2.0 4.5 217 128 A 13 ASN H A 12 SER H 1.0 2.0 4.5 218 129 A 12 SER H A 13 ASN HD2x 1.0 1.8 5.0 219 129 A 13 ASN HD2y A 12 SER H 1.0 1.8 5.0 220 130 A 10 HIS H A 13 ASN H 1.0 2.0 4.5 221 131 A 13 ASN HA A 14 CYS H 1.0 2.0 4.0 222 132 A 13 ASN HA A 12 SER HA 1.0 2.5 4.5 223 133 A 13 ASN H A 12 SER HA 1.0 1.5 5.0 224 134 A 13 ASN H A 12 SER HBx 1.0 1.5 5.0 225 134 A 13 ASN H A 12 SER HBy 1.0 1.5 5.0 226 135 A 13 ASN H A 11 LYS HGy 1.0 1.5 5.0 227 135 A 13 ASN H A 11 LYS HGx 1.0 1.5 5.0 228 136 A 129 TYR H A 13 ASN HBy 1.0 3.0 5.0 229 136 A 13 ASN HBx A 129 TYR H 1.0 3.0 5.0 230 137 A 13 ASN H A 11 LYS HGy 1.0 3.4 5.4 231 137 A 13 ASN H A 11 LYS HGx 1.0 3.4 5.4 232 138 A 13 ASN HA A 14 CYS H 1.0 2.0 4.5 233 139 A 13 ASN H A 13 ASN HD2x 1.0 1.8 5.0 234 139 A 13 ASN H A 13 ASN HD2y 1.0 1.8 5.0 235 140 A 13 ASN H A 13 ASN HBy 1.0 1.8 5.0 236 140 A 13 ASN H A 13 ASN HBx 1.0 1.8 5.0 237 141 A 14 CYS H A 13 ASN HBy 1.0 1.8 5.0 238 141 A 14 CYS H A 13 ASN HBx 1.0 1.8 5.0 239 142 A 13 ASN H A 12 SER HA 1.0 2.0 4.5 240 143 A 13 ASN H A 12 SER HBx 1.0 1.8 5.0 241 143 A 13 ASN H A 12 SER HBy 1.0 1.8 5.0 242 144 A 13 ASN H A 14 CYS H 1.0 1.8 5.0 243 145 A 14 CYS HA A 13 ASN H 1.0 1.8 5.0 244 146 A 13 ASN H A 14 CYS H 1.0 2.5 4.5 245 147 A 13 ASN HA A 14 CYS H 1.0 1.8 3.0 246 148 A 14 CYS H A 13 ASN HBy 1.0 1.8 3.5 247 148 A 14 CYS H A 13 ASN HBx 1.0 1.8 3.5 248 149 A 14 CYS H A 13 ASN HD2x 1.0 2.7 4.7 249 149 A 13 ASN HD2y A 14 CYS H 1.0 2.7 4.7 250 150 A 13 ASN H A 14 CYS H 1.0 1.5 5.0 251 151 A 13 ASN HA A 14 CYS H 1.0 1.5 5.0 252 152 A 14 CYS H A 129 TYR HDx 1.0 3.2 5.7 253 152 A 129 TYR HDy A 14 CYS H 1.0 3.2 5.7 254 153 A 129 TYR H A 14 CYS HBy 1.0 2.8 5.8 255 153 A 129 TYR H A 14 CYS HBx 1.0 2.8 5.8 256 154 A 14 CYS H A 129 TYR H 1.0 2.0 5.0 257 155 A 14 CYS H A 129 TYR HBy 1.0 2.5 5.5 258 155 A 14 CYS H A 129 TYR HBx 1.0 2.5 5.5 259 156 A 14 CYS H A 14 CYS HBy 1.0 1.8 5.0 260 156 A 14 CYS H A 14 CYS HBx 1.0 1.8 5.0 261 157 A 13 ASN H A 14 CYS H 1.0 2.3 5.5 262 158 A 13 ASN HA A 14 CYS H 1.0 1.8 5.0 263 159 A 14 CYS H A 15 TYR H 1.0 1.8 5.0 264 160 A 15 TYR HA A 15 TYR H 1.0 2.8 5.0 265 161 A 14 CYS HA A 15 TYR H 1.0 1.8 3.2 266 162 A 15 TYR H A 15 TYR HBy 1.0 1.8 4.0 267 162 A 15 TYR HBx A 15 TYR H 1.0 1.8 4.0 268 163 A 16 GLY HAy A 15 TYR HDx 1.0 3.0 6.0 269 163 A 16 GLY HAy A 15 TYR HDy 1.0 3.0 6.0 270 163 A 15 TYR HDx A 16 GLY HAx 1.0 3.0 6.0 271 163 A 15 TYR HDy A 16 GLY HAx 1.0 3.0 6.0 272 164 A 15 TYR H A 14 CYS HBy 1.0 3.0 4.5 273 164 A 14 CYS HBx A 15 TYR H 1.0 3.0 4.5 274 165 A 15 TYR HA A 129 TYR H 1.0 2.0 5.0 275 166 A 15 TYR HA A 128 LYS H 1.0 2.5 5.5 276 167 A 15 TYR HA A 16 GLY H 1.0 2.0 3.5 277 168 A 15 TYR HA A 16 GLY H 1.0 1.8 3.0 278 169 A 16 GLY H A 15 TYR HBy 1.0 2.0 3.5 279 169 A 15 TYR HBx A 16 GLY H 1.0 2.0 3.5 280 170 A 16 GLY H A 17 TYR HA 1.0 3.3 4.8 281 171 A 16 GLY H A 15 TYR HBy 1.0 2.0 4.0 282 171 A 15 TYR HBx A 16 GLY H 1.0 2.0 4.0 283 172 A 16 GLY H A 15 TYR HDx 1.0 2.5 4.0 284 172 A 16 GLY H A 15 TYR HDy 1.0 2.5 4.0 285 173 A 16 GLY H A 126 LEU HDx% 1.0 3.7 5.2 286 173 A 16 GLY H A 126 LEU HDy% 1.0 3.7 5.2 287 174 A 16 GLY H A 127 CYS H 1.0 2.0 5.0 288 175 A 16 GLY H A 127 CYS HBy 1.0 3.0 5.0 289 175 A 16 GLY H A 127 CYS HBx 1.0 3.0 5.0 290 176 A 127 CYS H A 16 GLY HAx 1.0 3.2 5.2 291 176 A 16 GLY HAy A 127 CYS H 1.0 3.2 5.2 292 177 A 128 LYS H A 16 GLY H 1.0 2.5 5.5 293 178 A 129 TYR H A 16 GLY H 1.0 3.3 5.3 294 179 A 16 GLY H A 15 TYR HBy 1.0 2.0 3.5 295 179 A 15 TYR HBx A 16 GLY H 1.0 2.0 3.5 296 180 A 16 GLY H A 15 TYR HDx 1.0 2.0 4.0 297 180 A 16 GLY H A 15 TYR HDy 1.0 2.0 4.0 298 181 A 17 TYR H A 16 GLY HAx 1.0 1.8 3.0 299 181 A 16 GLY HAy A 17 TYR H 1.0 1.8 3.0 300 182 A 16 GLY H A 17 TYR H 1.0 3.0 4.5 301 183 A 17 TYR HA A 127 CYS H 1.0 2.0 5.0 302 184 A 17 TYR H A 126 LEU HA 1.0 2.0 5.5 303 185 A 17 TYR H A 17 TYR HBx 1.0 2.0 3.5 304 185 A 17 TYR H A 17 TYR HBy 1.0 2.0 3.5 305 186 A 18 PHE H A 17 TYR HBx 1.0 2.0 3.5 306 186 A 17 TYR HBy A 18 PHE H 1.0 2.0 3.5 307 187 A 17 TYR HA A 18 PHE H 1.0 2.0 3.5 308 188 A 18 PHE H A 17 TYR HBx 1.0 2.0 3.5 309 188 A 17 TYR HBy A 18 PHE H 1.0 2.0 3.5 310 189 A 17 TYR HA A 18 PHE H 1.0 1.8 3.0 311 190 A 19 ARG HA A 18 PHE H 1.0 2.9 4.9 312 191 A 18 PHE H A 125 PHE H 1.0 2.0 5.0 313 192 A 125 PHE H A 18 PHE HBy 1.0 2.0 5.0 314 192 A 18 PHE HBx A 125 PHE H 1.0 2.0 5.0 315 193 A 126 LEU HA A 18 PHE H 1.0 2.0 4.0 316 194 A 18 PHE H A 126 LEU H 1.0 3.5 5.5 317 195 A 20 LYS H A 18 PHE HBy 1.0 2.0 4.0 318 195 A 18 PHE HBx A 20 LYS H 1.0 2.0 4.0 319 196 A 20 LYS H A 18 PHE HA 1.0 3.5 4.5 320 197 A 18 PHE H A 20 LYS H 1.0 3.0 5.0 321 198 A 18 PHE H A 18 PHE HBy 1.0 2.0 3.2 322 198 A 18 PHE HBx A 18 PHE H 1.0 2.0 3.2 323 199 A 18 PHE HA A 19 ARG H 1.0 1.5 3.0 324 200 A 19 ARG H A 18 PHE HBy 1.0 2.2 3.7 325 200 A 18 PHE HBx A 19 ARG H 1.0 2.2 3.7 326 201 A 18 PHE H A 19 ARG H 1.0 2.9 4.4 327 202 A 18 PHE HA A 19 ARG H 1.0 2.0 3.5 328 203 A 19 ARG H A 18 PHE HBy 1.0 2.3 3.8 329 203 A 18 PHE HBx A 19 ARG H 1.0 2.3 3.8 330 204 A 19 ARG H A 20 LYS HGx 1.0 1.5 5.0 331 204 A 19 ARG H A 20 LYS HGy 1.0 1.5 5.0 332 205 A 125 PHE H A 19 ARG H 1.0 3.7 5.7 333 206 A 19 ARG H A 19 ARG HGx 1.0 1.8 3.0 334 206 A 19 ARG H A 19 ARG HGy 1.0 1.8 3.0 335 207 A 19 ARG H A 19 ARG HBy 1.0 2.0 3.2 336 207 A 19 ARG H A 19 ARG HBx 1.0 2.0 3.2 337 208 A 20 LYS H A 19 ARG H 1.0 2.4 3.6 338 209 A 18 PHE H A 19 ARG H 1.0 2.3 4.5 339 210 A 19 ARG H A 20 LYS HGx 1.0 1.8 5.0 340 210 A 19 ARG H A 20 LYS HGy 1.0 1.8 5.0 341 211 A 19 ARG H A 19 ARG HDx 1.0 3.3 4.5 342 211 A 19 ARG H A 19 ARG HDy 1.0 3.3 4.5 343 212 A 20 LYS H A 19 ARG HGx 1.0 3.0 5.5 344 212 A 20 LYS H A 19 ARG HGy 1.0 3.0 5.5 345 213 A 20 LYS H A 18 PHE HA 1.0 2.5 4.5 346 214 A 20 LYS H A 19 ARG H 1.0 2.0 3.5 347 215 A 20 LYS H A 19 ARG HBy 1.0 2.0 4.5 348 215 A 20 LYS H A 19 ARG HBx 1.0 2.0 4.5 349 216 A 20 LYS H A 20 LYS HEx 1.0 2.5 5.0 350 216 A 20 LYS H A 20 LYS HEy 1.0 2.5 5.0 351 217 A 20 LYS H A 19 ARG H 1.0 2.0 3.5 352 218 A 19 ARG HA A 20 LYS H 1.0 2.0 4.0 353 219 A 124 HIS HA A 20 LYS H 1.0 1.5 5.0 354 220 A 20 LYS H A 19 ARG HGx 1.0 1.5 5.0 355 220 A 20 LYS H A 19 ARG HGy 1.0 1.5 5.0 356 221 A 124 HIS HA A 20 LYS H 1.0 3.0 5.0 357 222 A 20 LYS H A 124 HIS HBy 1.0 3.3 5.3 358 222 A 20 LYS H A 124 HIS HBx 1.0 3.3 5.3 359 223 A 125 PHE H A 20 LYS H 1.0 2.0 5.0 360 224 A 20 LYS HA A 21 LEU H 1.0 2.0 4.5 361 225 A 20 LYS H A 20 LYS HBy 1.0 2.0 3.5 362 225 A 20 LYS H A 20 LYS HBx 1.0 2.0 3.5 363 226 A 20 LYS H A 20 LYS HGx 1.0 2.0 4.0 364 226 A 20 LYS H A 20 LYS HGy 1.0 2.0 4.0 365 227 A 20 LYS H A 19 ARG H 1.0 2.0 4.0 366 228 A 19 ARG HA A 20 LYS H 1.0 2.0 4.0 367 229 A 20 LYS H A 19 ARG HGx 1.0 3.0 5.0 368 229 A 20 LYS H A 19 ARG HGy 1.0 3.0 5.0 369 230 A 20 LYS H A 20 LYS HEx 1.0 3.3 5.3 370 230 A 20 LYS H A 20 LYS HEy 1.0 3.3 5.3 371 231 A 20 LYS H A 21 LEU H 1.0 3.0 4.5 372 232 A 20 LYS HA A 21 LEU H 1.0 1.8 3.0 373 233 A 20 LYS H A 21 LEU H 1.0 3.0 4.5 374 234 A 21 LEU H A 20 LYS HBy 1.0 2.0 4.0 375 234 A 21 LEU H A 20 LYS HBx 1.0 2.0 4.0 376 235 A 124 HIS HA A 21 LEU H 1.0 1.5 5.0 377 236 A 124 HIS HA A 21 LEU H 1.0 2.0 5.0 378 237 A 123 GLN H A 21 LEU HBy 1.0 2.0 5.0 379 237 A 21 LEU HBx A 123 GLN H 1.0 2.0 5.0 380 238 A 124 HIS HA A 21 LEU H 1.0 2.0 5.0 381 239 A 21 LEU H A 21 LEU HG 1.0 2.0 4.5 382 240 A 21 LEU H A 21 LEU HDx% 1.0 2.0 4.5 383 240 A 21 LEU H A 21 LEU HDy% 1.0 2.0 4.5 384 241 A 21 LEU H A 21 LEU HBy 1.0 2.0 4.5 385 241 A 21 LEU H A 21 LEU HBx 1.0 2.0 4.5 386 242 A 21 LEU HA A 22 ARG H 1.0 2.0 4.5 387 243 A 21 LEU H A 20 LYS HBy 1.0 2.0 4.0 388 243 A 21 LEU H A 20 LYS HBx 1.0 2.0 4.0 389 244 A 22 ARG H A 21 LEU HBy 1.0 2.2 4.2 390 244 A 21 LEU HBx A 22 ARG H 1.0 2.2 4.2 391 245 A 21 LEU H A 22 ARG H 1.0 2.7 4.2 392 246 A 21 LEU H A 22 ARG H 1.0 2.7 4.2 393 247 A 22 ARG H A 125 PHE HD% 1.0 1.5 5.0 394 248 A 124 HIS HA A 22 ARG H 1.0 1.5 5.0 395 249 A 123 GLN H A 22 ARG H 1.0 2.0 5.0 396 250 A 124 HIS HA A 22 ARG H 1.0 2.0 5.0 397 251 A 22 ARG H A 125 PHE HD% 1.0 2.0 5.0 398 252 A 123 GLN H A 22 ARG HA 1.0 2.0 5.0 399 253 A 27 ALA H A 22 ARG HBy 1.0 2.0 5.0 400 253 A 22 ARG HBx A 27 ALA H 1.0 2.0 5.0 401 254 A 26 ASP H A 22 ARG HBy 1.0 3.2 5.2 402 254 A 22 ARG HBx A 26 ASP H 1.0 3.2 5.2 403 255 A 22 ARG HA A 27 ALA H 1.0 3.2 5.7 404 256 A 22 ARG HA A 23 ASN H 1.0 2.0 4.5 405 257 A 22 ARG H A 22 ARG HBy 1.0 1.8 5.0 406 257 A 22 ARG H A 22 ARG HBx 1.0 1.8 5.0 407 258 A 22 ARG H A 22 ARG HGy 1.0 1.8 5.0 408 258 A 22 ARG H A 22 ARG HGx 1.0 1.8 5.0 409 259 A 23 ASN H A 22 ARG HBy 1.0 1.8 5.0 410 259 A 22 ARG HBx A 23 ASN H 1.0 1.8 5.0 411 260 A 21 LEU H A 22 ARG H 1.0 1.8 5.0 412 261 A 22 ARG H A 23 ASN H 1.0 1.8 5.0 413 262 A 22 ARG H A 23 ASN HA 1.0 1.8 5.0 414 263 A 23 ASN H A 122 ARG HGy 1.0 3.0 5.0 415 263 A 23 ASN H A 122 ARG HGx 1.0 3.0 5.0 416 264 A 23 ASN H A 122 ARG HA 1.0 3.0 5.0 417 265 A 123 GLN H A 23 ASN HA 1.0 3.0 5.0 418 266 A 120 ASN H A 23 ASN HBy 1.0 3.8 5.3 419 266 A 23 ASN HBx A 120 ASN H 1.0 3.8 5.3 420 267 A 23 ASN HA A 121 LYS H 1.0 2.0 5.0 421 268 A 121 LYS H A 23 ASN HBy 1.0 2.0 5.0 422 268 A 23 ASN HBx A 121 LYS H 1.0 2.0 5.0 423 269 A 23 ASN HA A 122 ARG H 1.0 2.7 4.2 424 270 A 122 ARG H A 23 ASN HBy 1.0 2.0 5.0 425 270 A 23 ASN HBx A 122 ARG H 1.0 2.0 5.0 426 271 A 23 ASN H A 122 ARG H 1.0 2.0 5.0 427 272 A 123 GLN H A 23 ASN H 1.0 2.0 5.0 428 273 A 123 GLN H A 23 ASN HBy 1.0 3.5 5.5 429 273 A 123 GLN H A 23 ASN HBx 1.0 3.5 5.5 430 274 A 25 SER H A 23 ASN HD2x 1.0 2.0 5.0 431 274 A 23 ASN HD2y A 25 SER H 1.0 2.0 5.0 432 275 A 25 SER H A 23 ASN HD2x 1.0 2.0 5.0 433 275 A 23 ASN HD2y A 25 SER H 1.0 2.0 5.0 434 276 A 25 SER H A 23 ASN HBy 1.0 2.0 5.0 435 276 A 23 ASN HBx A 25 SER H 1.0 2.0 5.0 436 277 A 23 ASN HA A 25 SER H 1.0 2.0 5.0 437 278 A 23 ASN H A 25 SER H 1.0 3.2 5.2 438 279 A 25 SER H A 23 ASN HD2x 1.0 2.0 5.0 439 279 A 23 ASN HD2y A 25 SER H 1.0 2.0 5.0 440 280 A 26 ASP H A 23 ASN HD2x 1.0 2.0 5.0 441 280 A 26 ASP H A 23 ASN HD2y 1.0 2.0 5.0 442 281 A 23 ASN H A 26 ASP HBy 1.0 2.0 5.0 443 282 A 26 ASP H A 23 ASN H 1.0 2.0 5.0 444 283 A 26 ASP H A 23 ASN HD2x 1.0 2.0 5.0 445 283 A 26 ASP H A 23 ASN HD2y 1.0 2.0 5.0 446 284 A 27 ALA H A 23 ASN H 1.0 2.0 5.0 447 285 A 27 ALA H A 23 ASN HD2x 1.0 2.0 5.0 448 285 A 27 ALA H A 23 ASN HD2y 1.0 2.0 5.0 449 286 A 23 ASN H A 27 ALA HB% 1.0 4.0 5.8 450 287 A 23 ASN H A 23 ASN HBy 1.0 2.0 4.0 451 287 A 23 ASN H A 23 ASN HBx 1.0 2.0 4.0 452 288 A 23 ASN H A 23 ASN HD2x 1.0 2.0 4.0 453 288 A 23 ASN H A 23 ASN HD2y 1.0 2.0 4.0 454 289 A 24 TRP H A 23 ASN HBy 1.0 2.0 4.0 455 289 A 23 ASN HBx A 24 TRP H 1.0 2.0 4.0 456 290 A 23 ASN H A 23 ASN HD2x 1.0 1.8 5.0 457 290 A 23 ASN H A 23 ASN HD2y 1.0 1.8 5.0 458 291 A 23 ASN H A 24 TRP H 1.0 3.5 5.0 459 292 A 23 ASN HA A 24 TRP H 1.0 2.0 3.2 460 293 A 24 TRP HA A 40 LEU HDy% 1.0 3.0 5.5 461 294 A 27 ALA HB% A 24 TRP HA 1.0 2.0 4.0 462 295 A 24 TRP H A 23 ASN HBy 1.0 2.0 3.5 463 295 A 23 ASN HBx A 24 TRP H 1.0 2.0 3.5 464 296 A 23 ASN HA A 24 TRP H 1.0 2.0 3.5 465 297 A 26 ASP H A 24 TRP H 1.0 3.0 4.5 466 298 A 27 ALA HB% A 24 TRP H 1.0 3.2 5.2 467 299 A 24 TRP H A 120 ASN HA 1.0 2.8 4.3 468 300 A 120 ASN H A 24 TRP H 1.0 3.5 5.5 469 301 A 121 LYS H A 24 TRP H 1.0 3.0 5.0 470 302 A 123 GLN H A 24 TRP H 1.0 3.3 5.3 471 303 A 26 ASP H A 24 TRP HA 1.0 2.2 4.7 472 304 A 27 ALA HB% A 24 TRP H 1.0 2.0 5.0 473 305 A 27 ALA H A 24 TRP HA 1.0 2.0 5.0 474 306 A 24 TRP H A 24 TRP HBy 1.0 2.0 3.5 475 306 A 24 TRP H A 24 TRP HBx 1.0 2.0 3.5 476 307 A 25 SER H A 24 TRP H 1.0 2.0 3.5 477 308 A 25 SER H A 24 TRP HA 1.0 2.0 4.0 478 309 A 25 SER H A 24 TRP HBy 1.0 1.8 5.0 479 309 A 25 SER H A 24 TRP HBx 1.0 1.8 5.0 480 310 A 24 TRP H A 23 ASN HBy 1.0 2.0 3.5 481 310 A 23 ASN HBx A 24 TRP H 1.0 2.0 3.5 482 311 A 23 ASN HA A 24 TRP H 1.0 2.0 3.5 483 312 A 25 SER H A 23 ASN HD2x 1.0 2.8 5.0 484 312 A 23 ASN HD2y A 25 SER H 1.0 2.8 5.0 485 313 A 25 SER H A 24 TRP HBy 1.0 1.8 4.0 486 313 A 25 SER H A 24 TRP HBx 1.0 1.8 4.0 487 314 A 25 SER H A 24 TRP H 1.0 2.0 4.0 488 315 A 25 SER H A 24 TRP HA 1.0 2.0 4.0 489 316 A 25 SER H A 120 ASN HA 1.0 2.5 5.5 490 317 A 25 SER H A 120 ASN HD2x 1.0 2.0 5.0 491 317 A 25 SER H A 120 ASN HD2y 1.0 2.0 5.0 492 318 A 25 SER H A 27 ALA HB% 1.0 2.5 5.5 493 319 A 23 ASN HA A 25 SER H 1.0 2.0 5.0 494 320 A 25 SER H A 23 ASN HD2x 1.0 2.0 5.0 495 320 A 23 ASN HD2y A 25 SER H 1.0 2.0 5.0 496 321 A 25 SER H A 25 SER HBx 1.0 2.0 4.5 497 321 A 25 SER H A 25 SER HBy 1.0 2.0 4.5 498 322 A 26 ASP H A 25 SER HBx 1.0 2.0 4.5 499 322 A 26 ASP H A 25 SER HBy 1.0 2.0 4.5 500 323 A 26 ASP H A 25 SER H 1.0 2.0 3.5 501 324 A 25 SER H A 24 TRP H 1.0 2.0 3.5 502 325 A 25 SER H A 24 TRP HA 1.0 2.0 3.5 503 326 A 25 SER H A 26 ASP HBx 1.0 3.3 5.3 504 326 A 25 SER H A 26 ASP HBy 1.0 3.3 5.3 505 327 A 25 SER H A 26 ASP HA 1.0 3.8 5.3 506 328 A 26 ASP H A 25 SER H 1.0 2.0 3.5 507 329 A 26 ASP H A 25 SER HA 1.0 2.0 3.5 508 330 A 26 ASP H A 27 ALA HB% 1.0 2.0 5.0 509 331 A 26 ASP H A 28 GLU H 1.0 2.0 5.0 510 332 A 26 ASP HA A 28 GLU H 1.0 2.0 5.0 511 333 A 26 ASP HA A 30 GLU H 1.0 2.0 5.0 512 334 A 26 ASP H A 26 ASP HBx 1.0 2.0 3.5 513 334 A 26 ASP H A 26 ASP HBy 1.0 2.0 3.5 514 335 A 27 ALA H A 26 ASP H 1.0 2.0 3.5 515 336 A 27 ALA H A 26 ASP HBx 1.0 1.8 5.0 516 336 A 27 ALA H A 26 ASP HBy 1.0 1.8 5.0 517 337 A 26 ASP H A 25 SER H 1.0 2.0 3.5 518 338 A 26 ASP H A 25 SER HA 1.0 2.0 4.0 519 339 A 26 ASP H A 27 ALA HB% 1.0 1.8 5.0 520 340 A 27 ALA HB% A 24 TRP HA 1.0 2.5 5.0 521 341 A 27 ALA HB% A 125 PHE HBy 1.0 2.5 5.0 522 341 A 27 ALA HB% A 125 PHE HBx 1.0 2.5 5.0 523 342 A 27 ALA HB% A 40 LEU HDy% 1.0 2.5 5.0 524 343 A 27 ALA HB% A 40 LEU HG 1.0 2.5 5.0 525 344 A 27 ALA HB% A 125 PHE HE% 1.0 2.5 5.0 526 345 A 27 ALA H A 22 ARG HBy 1.0 2.0 5.0 527 345 A 22 ARG HBx A 27 ALA H 1.0 2.0 5.0 528 346 A 27 ALA H A 23 ASN H 1.0 2.5 5.5 529 347 A 27 ALA H A 24 TRP HA 1.0 2.0 4.5 530 348 A 27 ALA H A 25 SER HA 1.0 2.2 4.2 531 349 A 27 ALA H A 26 ASP HA 1.0 2.0 3.5 532 350 A 27 ALA H A 26 ASP H 1.0 2.0 3.5 533 351 A 27 ALA H A 26 ASP HBx 1.0 2.5 5.5 534 351 A 27 ALA H A 26 ASP HBy 1.0 2.5 5.5 535 352 A 27 ALA H A 25 SER HA 1.0 2.0 5.0 536 353 A 27 ALA H A 24 TRP HA 1.0 2.0 5.0 537 354 A 27 ALA H A 23 ASN H 1.0 2.0 5.0 538 355 A 27 ALA H A 22 ARG HBy 1.0 2.0 5.0 539 355 A 22 ARG HBx A 27 ALA H 1.0 2.0 5.0 540 356 A 30 GLU H A 27 ALA HA 1.0 2.0 5.0 541 357 A 27 ALA H A 30 GLU H 1.0 2.0 5.0 542 358 A 27 ALA H A 30 GLU HBy 1.0 2.2 5.2 543 358 A 27 ALA H A 30 GLU HBx 1.0 2.2 5.2 544 359 A 27 ALA H A 27 ALA HB% 1.0 2.0 4.5 545 360 A 27 ALA H A 28 GLU HBy 1.0 2.5 5.0 546 360 A 27 ALA H A 28 GLU HBx 1.0 2.5 5.0 547 361 A 27 ALA HB% A 28 GLU H 1.0 2.0 4.5 548 362 A 27 ALA H A 28 GLU H 1.0 1.8 5.0 549 363 A 27 ALA H A 26 ASP HA 1.0 1.8 5.0 550 364 A 27 ALA H A 26 ASP H 1.0 1.8 5.0 551 365 A 27 ALA H A 26 ASP HBx 1.0 1.8 5.0 552 365 A 27 ALA H A 26 ASP HBy 1.0 1.8 5.0 553 366 A 26 ASP H A 28 GLU H 1.0 1.5 5.0 554 367 A 27 ALA H A 28 GLU H 1.0 2.0 5.0 555 368 A 28 GLU H A 27 ALA HA 1.0 2.5 5.5 556 369 A 27 ALA HB% A 28 GLU H 1.0 2.5 5.5 557 370 A 28 GLU H A 40 LEU HDx% 1.0 3.5 5.5 558 371 A 28 GLU H A 40 LEU HDy% 1.0 3.5 5.5 559 372 A 28 GLU HA A 30 GLU H 1.0 2.0 5.0 560 373 A 28 GLU H A 30 GLU H 1.0 2.0 5.0 561 374 A 26 ASP H A 28 GLU H 1.0 2.0 5.0 562 375 A 28 GLU HA A 31 CYS H 1.0 2.0 5.0 563 376 A 28 GLU H A 28 GLU HBy 1.0 2.0 4.5 564 376 A 28 GLU H A 28 GLU HBx 1.0 2.0 4.5 565 377 A 27 ALA H A 28 GLU H 1.0 1.8 5.0 566 378 A 28 GLU H A 27 ALA HA 1.0 1.8 5.0 567 379 A 27 ALA HB% A 28 GLU H 1.0 1.8 5.0 568 380 A 26 ASP HA A 29 LEU H 1.0 2.5 5.5 569 381 A 27 ALA H A 29 LEU H 1.0 2.5 5.5 570 382 A 28 GLU HA A 29 LEU H 1.0 2.5 5.5 571 383 A 29 LEU H A 28 GLU HBy 1.0 2.5 5.5 572 383 A 28 GLU HBx A 29 LEU H 1.0 2.5 5.5 573 384 A 31 CYS H A 29 LEU H 1.0 2.0 5.0 574 385 A 27 ALA H A 29 LEU H 1.0 2.0 5.0 575 386 A 26 ASP HA A 29 LEU H 1.0 2.0 5.0 576 387 A 29 LEU H A 32 GLN H 1.0 3.2 5.2 577 388 A 30 GLU H A 29 LEU HBy 1.0 2.0 4.5 578 388 A 30 GLU H A 29 LEU HBx 1.0 2.0 4.5 579 389 A 30 GLU H A 29 LEU H 1.0 2.0 4.5 580 390 A 29 LEU H A 29 LEU HBy 1.0 1.8 5.0 581 390 A 29 LEU H A 29 LEU HBx 1.0 1.8 5.0 582 391 A 30 GLU H A 29 LEU HDx% 1.0 3.4 5.4 583 391 A 30 GLU H A 29 LEU HDy% 1.0 3.4 5.4 584 392 A 28 GLU HA A 29 LEU H 1.0 1.8 5.0 585 393 A 29 LEU H A 28 GLU HBy 1.0 1.8 5.0 586 393 A 28 GLU HBx A 29 LEU H 1.0 1.8 5.0 587 394 A 26 ASP HA A 30 GLU H 1.0 2.0 5.0 588 395 A 27 ALA H A 30 GLU H 1.0 2.5 5.5 589 396 A 30 GLU H A 29 LEU H 1.0 2.5 5.5 590 397 A 30 GLU H A 29 LEU HA 1.0 2.5 5.5 591 398 A 30 GLU H A 29 LEU HBy 1.0 2.5 5.5 592 398 A 30 GLU H A 29 LEU HBx 1.0 2.5 5.5 593 399 A 27 ALA H A 30 GLU H 1.0 2.0 5.0 594 400 A 26 ASP HA A 30 GLU H 1.0 2.0 5.0 595 401 A 30 GLU H A 30 GLU HA 1.0 2.0 4.5 596 402 A 30 GLU H A 30 GLU HBy 1.0 2.0 4.5 597 402 A 30 GLU H A 30 GLU HBx 1.0 2.0 4.5 598 403 A 30 GLU H A 31 CYS H 1.0 2.0 3.5 599 404 A 31 CYS H A 30 GLU HBy 1.0 2.0 4.5 600 404 A 30 GLU HBx A 31 CYS H 1.0 2.0 4.5 601 405 A 30 GLU H A 31 CYS HA 1.0 2.3 5.5 602 406 A 30 GLU H A 29 LEU HBy 1.0 1.8 5.0 603 406 A 30 GLU H A 29 LEU HBx 1.0 1.8 5.0 604 407 A 30 GLU H A 29 LEU HDx% 1.0 2.3 5.5 605 408 A 28 GLU HA A 31 CYS H 1.0 2.5 4.5 606 409 A 31 CYS H A 30 GLU HA 1.0 3.5 5.5 607 410 A 30 GLU H A 31 CYS H 1.0 2.0 3.5 608 411 A 31 CYS H A 33 SER HBx 1.0 3.5 5.5 609 411 A 31 CYS H A 33 SER HBy 1.0 3.5 5.5 610 412 A 31 CYS H A 39 HIS HA 1.0 3.5 5.5 611 413 A 39 HIS H A 31 CYS HBy 1.0 2.0 5.0 612 413 A 31 CYS HBx A 39 HIS H 1.0 2.0 5.0 613 414 A 31 CYS H A 39 HIS HA 1.0 3.0 5.0 614 415 A 128 LYS H A 31 CYS HBy 1.0 2.0 5.0 615 415 A 128 LYS H A 31 CYS HBx 1.0 2.0 5.0 616 416 A 31 CYS H A 39 HIS HA 1.0 2.0 5.0 617 417 A 31 CYS H A 33 SER H 1.0 2.0 5.0 618 418 A 28 GLU HA A 31 CYS H 1.0 2.0 5.0 619 419 A 31 CYS HA A 34 TYR H 1.0 2.0 5.0 620 420 A 31 CYS H A 31 CYS HBy 1.0 2.0 4.5 621 420 A 31 CYS H A 31 CYS HBx 1.0 2.0 4.5 622 421 A 31 CYS H A 32 GLN H 1.0 1.8 5.0 623 422 A 32 GLN H A 31 CYS HBy 1.0 1.8 5.0 624 422 A 32 GLN H A 31 CYS HBx 1.0 1.8 5.0 625 423 A 31 CYS H A 32 GLN HGy 1.0 2.3 5.5 626 423 A 31 CYS H A 32 GLN HGx 1.0 2.3 5.5 627 424 A 31 CYS H A 30 GLU HA 1.0 2.0 3.5 628 425 A 31 CYS H A 32 GLN HA 1.0 3.4 5.4 629 426 A 30 GLU H A 31 CYS H 1.0 2.0 4.0 630 427 A 32 GLN H A 29 LEU HA 1.0 2.5 4.5 631 428 A 32 GLN H A 31 CYS HBy 1.0 2.5 4.5 632 428 A 32 GLN H A 31 CYS HBx 1.0 2.5 4.5 633 429 A 32 GLN H A 29 LEU HA 1.0 2.5 5.5 634 430 A 31 CYS H A 32 GLN H 1.0 1.8 3.0 635 431 A 32 GLN H A 39 HIS HA 1.0 2.0 5.0 636 432 A 32 GLN H A 38 ALA HB% 1.0 2.0 5.0 637 433 A 39 HIS H A 32 GLN HA 1.0 3.5 5.5 638 434 A 32 GLN H A 34 TYR H 1.0 2.0 5.0 639 435 A 34 TYR H A 32 GLN HBy 1.0 2.5 5.5 640 435 A 34 TYR H A 32 GLN HBx 1.0 2.5 5.5 641 436 A 32 GLN H A 29 LEU HA 1.0 2.0 5.0 642 437 A 32 GLN HA A 35 GLY H 1.0 2.0 5.0 643 438 A 35 GLY H A 32 GLN HBy 1.0 2.5 5.5 644 438 A 32 GLN HBx A 35 GLY H 1.0 2.5 5.5 645 439 A 35 GLY H A 32 GLN HGy 1.0 2.5 5.5 646 439 A 32 GLN HGx A 35 GLY H 1.0 2.5 5.5 647 440 A 32 GLN H A 32 GLN HBy 1.0 2.0 4.5 648 440 A 32 GLN H A 32 GLN HBx 1.0 2.0 4.5 649 441 A 32 GLN H A 32 GLN HGy 1.0 2.0 4.5 650 441 A 32 GLN H A 32 GLN HGx 1.0 2.0 4.5 651 442 A 33 SER H A 32 GLN HGy 1.0 2.2 4.7 652 442 A 33 SER H A 32 GLN HGx 1.0 2.2 4.7 653 443 A 32 GLN H A 33 SER H 1.0 1.8 5.0 654 444 A 33 SER H A 32 GLN HGy 1.0 1.8 5.0 655 444 A 33 SER H A 32 GLN HGx 1.0 1.8 5.0 656 445 A 33 SER H A 32 GLN HBy 1.0 1.8 5.0 657 445 A 33 SER H A 32 GLN HBx 1.0 1.8 5.0 658 446 A 32 GLN H A 31 CYS HBy 1.0 1.8 5.0 659 446 A 32 GLN H A 31 CYS HBx 1.0 1.8 5.0 660 447 A 31 CYS H A 32 GLN H 1.0 1.8 5.0 661 448 A 33 SER H A 38 ALA HB% 1.0 3.3 5.3 662 449 A 33 SER H A 33 SER HBx 1.0 2.0 4.5 663 449 A 33 SER HBy A 33 SER H 1.0 2.0 4.5 664 450 A 33 SER H A 33 SER HBx 1.0 1.8 5.0 665 450 A 33 SER HBy A 33 SER H 1.0 1.8 5.0 666 451 A 33 SER H A 34 TYR H 1.0 1.8 5.0 667 452 A 34 TYR H A 33 SER HBx 1.0 1.8 5.0 668 452 A 33 SER HBy A 34 TYR H 1.0 1.8 5.0 669 453 A 32 GLN H A 33 SER H 1.0 2.5 4.0 670 454 A 33 SER H A 32 GLN HA 1.0 1.8 4.5 671 455 A 33 SER H A 32 GLN HGy 1.0 1.8 5.0 672 455 A 33 SER H A 32 GLN HGx 1.0 1.8 5.0 673 456 A 33 SER H A 34 TYR H 1.0 2.0 4.0 674 457 A 32 GLN H A 34 TYR H 1.0 2.0 5.0 675 458 A 36 ASN H A 34 TYR HBy 1.0 2.0 5.0 676 458 A 34 TYR HBx A 36 ASN H 1.0 2.0 5.0 677 459 A 34 TYR H A 36 ASN H 1.0 2.5 4.5 678 460 A 32 GLN H A 34 TYR H 1.0 2.0 5.0 679 461 A 34 TYR H A 38 ALA HB% 1.0 2.0 5.0 680 462 A 38 ALA H A 34 TYR HBy 1.0 3.5 5.5 681 462 A 34 TYR HBx A 38 ALA H 1.0 3.5 5.5 682 463 A 37 GLY H A 34 TYR HBy 1.0 2.5 5.5 683 463 A 34 TYR HBx A 37 GLY H 1.0 2.5 5.5 684 464 A 33 SER H A 34 TYR H 1.0 2.0 4.0 685 465 A 34 TYR H A 34 TYR HBy 1.0 2.0 4.5 686 465 A 34 TYR H A 34 TYR HBx 1.0 2.0 4.5 687 466 A 35 GLY H A 34 TYR HBy 1.0 1.8 5.0 688 466 A 35 GLY H A 34 TYR HBx 1.0 1.8 5.0 689 467 A 37 GLY H A 35 GLY HAy 1.0 2.0 5.0 690 467 A 37 GLY H A 35 GLY HAx 1.0 2.0 5.0 691 468 A 35 GLY H A 37 GLY H 1.0 2.0 5.0 692 469 A 38 ALA HB% A 35 GLY H 1.0 2.0 5.0 693 470 A 35 GLY H A 38 ALA H 1.0 2.0 5.0 694 471 A 38 ALA H A 35 GLY HAy 1.0 2.0 5.0 695 471 A 38 ALA H A 35 GLY HAx 1.0 2.0 5.0 696 472 A 35 GLY H A 35 GLY HAy 1.0 2.0 4.5 697 472 A 35 GLY H A 35 GLY HAx 1.0 2.0 4.5 698 473 A 35 GLY H A 36 ASN H 1.0 1.8 5.0 699 474 A 36 ASN H A 35 GLY HAy 1.0 2.0 5.0 700 474 A 36 ASN H A 35 GLY HAx 1.0 2.0 5.0 701 475 A 130 ARG H A 36 ASN HBy 1.0 2.0 5.0 702 475 A 36 ASN HBx A 130 ARG H 1.0 2.0 5.0 703 476 A 38 ALA HB% A 36 ASN H 1.0 2.0 5.0 704 477 A 38 ALA H A 36 ASN HBy 1.0 2.0 5.0 705 477 A 38 ALA H A 36 ASN HBx 1.0 2.0 5.0 706 478 A 36 ASN H A 38 ALA H 1.0 2.0 5.0 707 479 A 36 ASN H A 36 ASN HA 1.0 2.0 4.5 708 480 A 36 ASN H A 36 ASN HBy 1.0 2.0 4.5 709 480 A 36 ASN H A 36 ASN HBx 1.0 2.0 4.5 710 481 A 37 GLY H A 36 ASN HA 1.0 2.0 4.5 711 482 A 36 ASN H A 36 ASN HBy 1.0 2.0 3.0 712 482 A 36 ASN H A 36 ASN HBx 1.0 2.0 3.0 713 483 A 36 ASN H A 36 ASN HD2y 1.0 1.8 5.0 714 483 A 36 ASN H A 36 ASN HD2x 1.0 1.8 5.0 715 484 A 36 ASN H A 37 GLY H 1.0 1.5 3.5 716 485 A 37 GLY H A 36 ASN HBy 1.0 1.8 5.0 717 485 A 37 GLY H A 36 ASN HBx 1.0 1.8 5.0 718 486 A 37 GLY H A 36 ASN HD2y 1.0 1.8 5.0 719 486 A 37 GLY H A 36 ASN HD2x 1.0 1.8 5.0 720 487 A 36 ASN H A 35 GLY HAy 1.0 1.8 5.0 721 487 A 36 ASN H A 35 GLY HAx 1.0 1.8 5.0 722 488 A 35 GLY H A 37 GLY H 1.0 2.5 5.5 723 489 A 36 ASN H A 37 GLY H 1.0 1.5 2.5 724 490 A 37 GLY H A 36 ASN HA 1.0 2.5 5.5 725 491 A 37 GLY H A 36 ASN HBy 1.0 2.5 5.5 726 491 A 37 GLY H A 36 ASN HBx 1.0 2.5 5.5 727 492 A 35 GLY H A 37 GLY H 1.0 2.0 5.0 728 493 A 37 GLY H A 37 GLY HAy 1.0 2.0 4.5 729 493 A 37 GLY H A 37 GLY HAx 1.0 2.0 4.5 730 494 A 38 ALA H A 37 GLY H 1.0 2.0 4.5 731 495 A 38 ALA H A 37 GLY HAy 1.0 2.0 4.5 732 495 A 38 ALA H A 37 GLY HAx 1.0 2.0 4.5 733 496 A 38 ALA HB% A 37 GLY H 1.0 1.8 5.0 734 497 A 36 ASN H A 37 GLY H 1.0 1.8 5.0 735 498 A 37 GLY H A 36 ASN HA 1.0 1.8 5.0 736 499 A 37 GLY H A 36 ASN HBy 1.0 1.8 5.0 737 499 A 37 GLY H A 36 ASN HBx 1.0 1.8 5.0 738 500 A 38 ALA H A 129 TYR HDx 1.0 3.5 5.5 739 501 A 38 ALA H A 37 GLY HAy 1.0 2.5 5.5 740 501 A 38 ALA H A 37 GLY HAx 1.0 2.5 5.5 741 502 A 38 ALA H A 36 ASN HBy 1.0 2.5 5.5 742 502 A 38 ALA H A 36 ASN HBx 1.0 2.5 5.5 743 503 A 38 ALA H A 37 GLY H 1.0 2.0 3.5 744 504 A 38 ALA H A 36 ASN HA 1.0 2.5 4.5 745 505 A 38 ALA H A 31 CYS HBy 1.0 2.5 5.5 746 505 A 31 CYS HBx A 38 ALA H 1.0 2.5 5.5 747 506 A 38 ALA HB% A 130 ARG H 1.0 2.5 5.5 748 507 A 38 ALA H A 130 ARG H 1.0 2.0 5.0 749 508 A 38 ALA H A 31 CYS HBy 1.0 2.5 5.7 750 508 A 31 CYS HBx A 38 ALA H 1.0 2.5 5.7 751 509 A 38 ALA H A 36 ASN HA 1.0 2.5 4.5 752 510 A 38 ALA H A 36 ASN HBy 1.0 2.0 5.0 753 510 A 38 ALA H A 36 ASN HBx 1.0 2.0 5.0 754 511 A 38 ALA H A 37 GLY H 1.0 1.5 2.5 755 512 A 38 ALA HB% A 38 ALA H 1.0 2.0 4.5 756 513 A 39 HIS H A 38 ALA HA 1.0 2.0 4.5 757 514 A 39 HIS H A 38 ALA HB% 1.0 1.8 5.0 758 515 A 39 HIS H A 38 ALA H 1.0 1.8 5.0 759 516 A 38 ALA H A 37 GLY HAy 1.0 1.8 5.0 760 516 A 38 ALA H A 37 GLY HAx 1.0 1.8 5.0 761 517 A 39 HIS H A 31 CYS HBy 1.0 2.5 5.5 762 517 A 31 CYS HBx A 39 HIS H 1.0 2.5 5.5 763 518 A 39 HIS H A 38 ALA HB% 1.0 2.5 5.0 764 519 A 39 HIS H A 38 ALA HA 1.0 2.0 4.0 765 520 A 128 LYS H A 39 HIS H 1.0 2.5 4.5 766 521 A 39 HIS H A 128 LYS HGy 1.0 3.5 5.5 767 521 A 39 HIS H A 128 LYS HGx 1.0 3.5 5.5 768 522 A 128 LYS H A 39 HIS H 1.0 2.5 4.5 769 523 A 128 LYS H A 39 HIS H 1.0 2.0 5.0 770 524 A 39 HIS H A 127 CYS HA 1.0 4.0 5.4 771 525 A 39 HIS H A 128 LYS HBy 1.0 2.0 5.0 772 525 A 39 HIS H A 128 LYS HBx 1.0 2.0 5.0 773 526 A 128 LYS H A 39 HIS HBy 1.0 4.1 5.6 774 526 A 128 LYS H A 39 HIS HBx 1.0 4.1 5.6 775 527 A 129 TYR H A 39 HIS H 1.0 2.5 5.5 776 528 A 39 HIS H A 130 ARG H 1.0 2.5 5.5 777 529 A 39 HIS H A 31 CYS HBy 1.0 2.0 5.0 778 529 A 31 CYS HBx A 39 HIS H 1.0 2.0 5.0 779 530 A 39 HIS H A 38 ALA HA 1.0 2.0 4.0 780 531 A 39 HIS H A 39 HIS HBy 1.0 1.8 5.0 781 531 A 39 HIS H A 39 HIS HBx 1.0 1.8 5.0 782 532 A 39 HIS H A 39 HIS HBy 1.0 1.8 5.0 783 532 A 39 HIS H A 39 HIS HBx 1.0 1.8 5.0 784 533 A 39 HIS H A 39 HIS HBy 1.0 1.8 5.0 785 533 A 39 HIS H A 39 HIS HBx 1.0 1.8 5.0 786 534 A 39 HIS H A 38 ALA HB% 1.0 1.8 5.0 787 535 A 40 LEU H A 39 HIS HBy 1.0 1.8 5.0 788 535 A 39 HIS HBx A 40 LEU H 1.0 1.8 5.0 789 536 A 27 ALA HB% A 40 LEU HDy% 1.0 2.5 4.5 790 537 A 125 PHE HBx A 40 LEU HDy% 1.0 3.2 5.2 791 537 A 40 LEU HDy% A 125 PHE HBy 1.0 3.2 5.2 792 538 A 27 ALA HB% A 40 LEU HDx% 1.0 2.3 4.8 793 539 A 40 LEU H A 31 CYS HBy 1.0 3.5 5.5 794 539 A 31 CYS HBx A 40 LEU H 1.0 3.5 5.5 795 540 A 128 LYS H A 40 LEU HA 1.0 3.0 5.0 796 541 A 40 LEU H A 31 CYS HBy 1.0 3.0 5.0 797 541 A 31 CYS HBx A 40 LEU H 1.0 3.0 5.0 798 542 A 67 ILE H A 40 LEU HBx 1.0 4.0 5.5 799 542 A 40 LEU HBy A 67 ILE H 1.0 4.0 5.5 800 543 A 68 GLY H A 40 LEU HBx 1.0 3.0 5.0 801 543 A 40 LEU HBy A 68 GLY H 1.0 3.0 5.0 802 544 A 68 GLY H A 40 LEU HBx 1.0 3.0 5.0 803 544 A 40 LEU HBy A 68 GLY H 1.0 3.0 5.0 804 545 A 68 GLY H A 40 LEU HDx% 1.0 3.5 5.5 805 545 A 68 GLY H A 40 LEU HDy% 1.0 3.5 5.5 806 546 A 69 LEU H A 40 LEU HBx 1.0 2.5 5.5 807 546 A 40 LEU HBy A 69 LEU H 1.0 2.5 5.5 808 547 A 126 LEU H A 40 LEU HA 1.0 2.0 5.0 809 548 A 126 LEU H A 40 LEU HDx% 1.0 2.0 5.0 810 548 A 126 LEU H A 40 LEU HDy% 1.0 2.0 5.0 811 549 A 127 CYS H A 40 LEU HA 1.0 2.0 5.0 812 550 A 40 LEU HA A 41 ALA H 1.0 2.0 4.5 813 551 A 40 LEU H A 40 LEU HG 1.0 1.8 5.0 814 552 A 41 ALA H A 40 LEU HBx 1.0 1.8 5.0 815 552 A 40 LEU HBy A 41 ALA H 1.0 1.8 5.0 816 553 A 39 HIS HA A 40 LEU H 1.0 2.0 3.5 817 554 A 40 LEU H A 40 LEU HDx% 1.0 1.8 5.0 818 555 A 40 LEU H A 40 LEU HDy% 1.0 1.8 5.0 819 556 A 41 ALA H A 40 LEU HBx 1.0 1.8 5.0 820 556 A 40 LEU HBy A 41 ALA H 1.0 1.8 5.0 821 557 A 41 ALA H A 40 LEU HDx% 1.0 3.5 5.5 822 558 A 40 LEU HDy% A 41 ALA H 1.0 1.8 5.0 823 559 A 41 ALA HB% A 52 ILE HD1% 1.0 3.5 5.5 824 560 A 40 LEU H A 41 ALA H 1.0 3.0 5.0 825 561 A 41 ALA H A 40 LEU HBx 1.0 2.0 3.5 826 561 A 40 LEU HBy A 41 ALA H 1.0 2.0 3.5 827 562 A 41 ALA HB% A 41 ALA HA 1.0 2.0 4.0 828 563 A 41 ALA HB% A 126 LEU HBy 1.0 3.2 5.2 829 563 A 41 ALA HB% A 126 LEU HBx 1.0 3.2 5.2 830 564 A 67 ILE HA A 41 ALA HB% 1.0 2.5 4.5 831 565 A 127 CYS HA A 41 ALA H 1.0 3.0 4.2 832 566 A 67 ILE HA A 41 ALA H 1.0 2.0 3.2 833 567 A 40 LEU HA A 41 ALA H 1.0 1.8 3.0 834 568 A 40 LEU HDy% A 41 ALA H 1.0 2.7 4.2 835 569 A 41 ALA H A 67 ILE HB 1.0 2.0 5.0 836 570 A 68 GLY H A 41 ALA H 1.0 3.2 4.2 837 571 A 41 ALA H A 126 LEU HDx% 1.0 2.5 5.5 838 571 A 126 LEU HDy% A 41 ALA H 1.0 2.5 5.5 839 572 A 128 LYS H A 41 ALA HA 1.0 3.8 5.3 840 573 A 41 ALA H A 128 LYS HBy 1.0 2.5 4.5 841 573 A 128 LYS HBx A 41 ALA H 1.0 2.5 4.5 842 574 A 41 ALA HA A 42 SER H 1.0 2.0 3.5 843 575 A 41 ALA HB% A 42 SER H 1.0 3.0 4.5 844 576 A 41 ALA HA A 42 SER H 1.0 1.7 3.2 845 577 A 68 GLY H A 42 SER H 1.0 3.5 5.0 846 578 A 42 SER H A 128 LYS HBy 1.0 3.0 4.5 847 578 A 128 LYS HBx A 42 SER H 1.0 3.0 4.5 848 579 A 42 SER H A 128 LYS HDx 1.0 2.7 4.2 849 579 A 42 SER H A 128 LYS HDy 1.0 2.7 4.2 850 580 A 42 SER H A 42 SER HBx 1.0 1.8 3.0 851 580 A 42 SER H A 42 SER HBy 1.0 1.8 3.0 852 581 A 41 ALA HB% A 42 SER H 1.0 3.0 4.5 853 582 A 43 ILE H A 42 SER HBx 1.0 1.8 5.0 854 582 A 42 SER HBy A 43 ILE H 1.0 1.8 5.0 855 583 A 42 SER H A 43 ILE H 1.0 3.0 4.5 856 584 A 43 ILE HG21 A 45 SER H 1.0 2.0 4.0 857 585 A 43 ILE HG21 A 43 ILE HB 1.0 2.0 4.0 858 586 A 43 ILE HG21 A 43 ILE HA 1.0 2.0 4.0 859 587 A 43 ILE H A 42 SER HBx 1.0 3.8 5.0 860 587 A 42 SER HBy A 43 ILE H 1.0 3.8 5.0 861 588 A 43 ILE H A 42 SER HA 1.0 1.8 3.0 862 589 A 43 ILE HG21 A 49 ALA H 1.0 3.0 5.0 863 590 A 43 ILE HB A 49 ALA H 1.0 3.6 5.6 864 591 A 49 ALA H A 43 ILE HD1% 1.0 3.6 5.6 865 592 A 43 ILE HG21 A 48 GLU H 1.0 2.0 5.0 866 593 A 43 ILE H A 43 ILE HG21 1.0 2.7 4.7 867 594 A 42 SER H A 43 ILE H 1.0 3.0 5.0 868 595 A 43 ILE H A 43 ILE HB 1.0 1.8 3.0 869 596 A 43 ILE H A 43 ILE HD1% 1.0 2.8 4.8 870 597 A 43 ILE H A 43 ILE HG12 1.0 2.5 4.0 871 597 A 43 ILE H A 43 ILE HG13 1.0 2.5 4.0 872 598 A 84 ALA HB% A 44 LEU HDx% 1.0 3.5 5.0 873 599 A 44 LEU HDx% A 84 ALA HA 1.0 2.5 5.5 874 600 A 44 LEU HDx% A 86 TYR HA 1.0 2.0 4.0 875 601 A 44 LEU HDx% A 85 MET HBy 1.0 2.0 5.5 876 601 A 44 LEU HDx% A 85 MET HBx 1.0 2.0 5.5 877 602 A 43 ILE H A 44 LEU H 1.0 3.0 5.0 878 603 A 43 ILE HG21 A 44 LEU H 1.0 2.5 4.0 879 604 A 44 LEU H A 43 ILE HG12 1.0 3.8 5.3 880 604 A 43 ILE HG13 A 44 LEU H 1.0 3.8 5.3 881 605 A 45 SER H A 44 LEU H 1.0 1.8 3.0 882 606 A 44 LEU H A 45 SER HA 1.0 3.8 5.3 883 607 A 44 LEU HDx% A 85 MET H 1.0 2.5 4.0 884 608 A 85 MET H A 44 LEU HDy% 1.0 3.0 5.0 885 609 A 85 MET H A 44 LEU HG 1.0 3.5 5.5 886 610 A 85 MET H A 44 LEU HBx 1.0 3.6 5.6 887 610 A 85 MET H A 44 LEU HBy 1.0 3.6 5.6 888 611 A 44 LEU HA A 86 TYR H 1.0 2.0 5.0 889 612 A 44 LEU HDx% A 45 SER HA 1.0 3.5 5.5 890 613 A 45 SER H A 44 LEU H 1.0 1.8 3.0 891 614 A 45 SER H A 44 LEU HA 1.0 2.0 3.5 892 615 A 43 ILE HG21 A 45 SER H 1.0 2.0 5.0 893 616 A 45 SER H A 48 GLU HBy 1.0 3.0 5.0 894 616 A 45 SER H A 48 GLU HBx 1.0 3.0 5.0 895 617 A 43 ILE HG21 A 45 SER H 1.0 2.0 5.0 896 618 A 45 SER H A 48 GLU H 1.0 3.0 5.0 897 619 A 45 SER H A 49 ALA H 1.0 3.3 5.3 898 620 A 46 LEU HDy% A 86 TYR HEx 1.0 2.0 5.5 899 620 A 46 LEU HDy% A 86 TYR HEy 1.0 2.0 5.5 900 621 A 46 LEU H A 46 LEU HBx 1.0 2.0 3.2 901 621 A 46 LEU H A 46 LEU HBy 1.0 2.0 3.2 902 622 A 46 LEU H A 45 SER HBx 1.0 2.0 3.5 903 622 A 46 LEU H A 45 SER HBy 1.0 2.0 3.5 904 623 A 46 LEU H A 86 TYR HEy 1.0 3.0 5.0 905 624 A 46 LEU H A 86 TYR HDy 1.0 3.7 5.7 906 625 A 49 ALA H A 46 LEU HA 1.0 2.0 5.0 907 626 A 46 LEU H A 47 LYS H 1.0 2.0 4.0 908 627 A 48 GLU H A 47 LYS HGx 1.0 2.0 4.5 909 627 A 48 GLU H A 47 LYS HGy 1.0 2.0 4.5 910 628 A 48 GLU H A 47 LYS H 1.0 1.8 5.0 911 629 A 48 GLU H A 47 LYS HBx 1.0 1.8 5.0 912 629 A 48 GLU H A 47 LYS HBy 1.0 1.8 5.0 913 630 A 45 SER HBy A 47 LYS HBx 1.0 3.0 5.0 914 630 A 45 SER HBx A 47 LYS HBx 1.0 3.0 5.0 915 630 A 47 LYS HBy A 45 SER HBx 1.0 3.0 5.0 916 630 A 45 SER HBy A 47 LYS HBy 1.0 3.0 5.0 917 631 A 47 LYS HA A 47 LYS HBx 1.0 1.8 3.0 918 631 A 47 LYS HBy A 47 LYS HA 1.0 1.8 3.0 919 632 A 47 LYS HBy A 47 LYS HEx 1.0 2.0 3.5 920 632 A 47 LYS HBx A 47 LYS HEx 1.0 2.0 3.5 921 632 A 47 LYS HEy A 47 LYS HBx 1.0 2.0 3.5 922 632 A 47 LYS HBy A 47 LYS HEy 1.0 2.0 3.5 923 633 A 46 LEU H A 47 LYS H 1.0 2.5 4.0 924 634 A 45 SER H A 48 GLU H 1.0 2.0 5.0 925 635 A 48 GLU H A 47 LYS H 1.0 2.0 5.0 926 636 A 48 GLU H A 46 LEU HA 1.0 3.5 5.0 927 637 A 48 GLU H A 46 LEU HA 1.0 2.0 5.0 928 638 A 48 GLU H A 50 SER H 1.0 2.0 5.0 929 639 A 45 SER H A 48 GLU H 1.0 2.0 5.0 930 640 A 48 GLU H A 48 GLU HBy 1.0 1.8 5.0 931 640 A 48 GLU H A 48 GLU HBx 1.0 1.8 5.0 932 641 A 49 ALA H A 48 GLU H 1.0 1.8 5.0 933 642 A 49 ALA H A 48 GLU HBy 1.0 1.8 5.0 934 642 A 49 ALA H A 48 GLU HBx 1.0 1.8 5.0 935 643 A 48 GLU H A 47 LYS H 1.0 1.8 5.0 936 644 A 43 ILE HG21 A 49 ALA H 1.0 3.0 5.0 937 645 A 49 ALA H A 46 LEU HA 1.0 2.0 5.0 938 646 A 49 ALA H A 48 GLU H 1.0 2.5 5.0 939 647 A 49 ALA H A 48 GLU HBy 1.0 2.0 5.0 940 647 A 49 ALA H A 48 GLU HBx 1.0 2.0 5.0 941 648 A 43 ILE HG21 A 49 ALA H 1.0 2.0 5.0 942 649 A 49 ALA H A 46 LEU HA 1.0 2.0 5.0 943 650 A 49 ALA H A 49 ALA HB% 1.0 2.0 4.5 944 651 A 50 SER H A 49 ALA HB% 1.0 1.8 5.0 945 652 A 49 ALA H A 50 SER H 1.0 1.8 5.0 946 653 A 49 ALA H A 48 GLU H 1.0 1.8 5.0 947 654 A 49 ALA H A 48 GLU HBy 1.0 1.8 5.0 948 654 A 49 ALA H A 48 GLU HBx 1.0 1.8 5.0 949 655 A 49 ALA H A 50 SER H 1.0 1.8 3.0 950 656 A 50 SER H A 49 ALA HB% 1.0 2.0 3.5 951 657 A 50 SER HA A 53 ALA H 1.0 2.0 5.0 952 658 A 50 SER H A 50 SER HBx 1.0 2.0 4.5 953 658 A 50 SER H A 50 SER HBy 1.0 2.0 4.5 954 659 A 50 SER H A 50 SER HBx 1.0 1.8 4.0 955 659 A 50 SER H A 50 SER HBy 1.0 1.8 4.0 956 660 A 50 SER H A 51 THR H 1.0 1.8 3.5 957 661 A 51 THR H A 50 SER HBx 1.0 2.0 4.0 958 661 A 50 SER HBy A 51 THR H 1.0 2.0 4.0 959 662 A 50 SER HA A 51 THR H 1.0 2.0 4.0 960 663 A 50 SER H A 51 THR H 1.0 1.8 3.0 961 664 A 53 ALA H A 51 THR H 1.0 2.0 5.0 962 665 A 51 THR H A 54 GLU HGy 1.0 3.8 5.8 963 665 A 51 THR H A 54 GLU HGx 1.0 3.8 5.8 964 666 A 51 THR H A 51 THR HG2% 1.0 2.0 4.5 965 667 A 51 THR H A 51 THR HB 1.0 1.8 5.0 966 668 A 51 THR H A 52 ILE H 1.0 1.8 5.0 967 669 A 52 ILE H A 51 THR HA 1.0 1.8 5.0 968 670 A 51 THR HG2% A 52 ILE H 1.0 1.8 5.0 969 671 A 51 THR H A 52 ILE HG12 1.0 1.8 5.0 970 671 A 51 THR H A 52 ILE HG13 1.0 1.8 5.0 971 672 A 52 ILE HD1% A 52 ILE HG21 1.0 2.0 5.0 972 673 A 52 ILE HD1% A 52 ILE HG12 1.0 2.0 4.0 973 673 A 52 ILE HD1% A 52 ILE HG13 1.0 2.0 4.0 974 674 A 52 ILE HD1% A 15 TYR HEy 1.0 3.3 5.3 975 675 A 52 ILE HD1% A 15 TYR HDy 1.0 3.0 5.0 976 676 A 52 ILE HD1% A 52 ILE HA 1.0 2.5 4.5 977 677 A 52 ILE HD1% A 52 ILE HB 1.0 2.0 4.5 978 678 A 52 ILE HG21 A 56 ILE HG21 1.0 3.0 5.5 979 679 A 53 ALA H A 52 ILE HB 1.0 2.0 4.5 980 680 A 52 ILE H A 52 ILE HB 1.0 1.8 5.0 981 681 A 53 ALA H A 52 ILE H 1.0 1.8 5.0 982 682 A 53 ALA H A 52 ILE HG21 1.0 1.8 5.0 983 683 A 52 ILE HD1% A 52 ILE H 1.0 1.8 5.0 984 684 A 53 ALA H A 52 ILE HG12 1.0 1.8 5.0 985 684 A 53 ALA H A 52 ILE HG13 1.0 1.8 5.0 986 685 A 52 ILE HD1% A 53 ALA H 1.0 2.3 5.5 987 686 A 53 ALA H A 52 ILE HG21 1.0 2.0 5.0 988 687 A 53 ALA H A 52 ILE HG12 1.0 3.0 5.0 989 687 A 53 ALA H A 52 ILE HG13 1.0 3.0 5.0 990 688 A 53 ALA H A 53 ALA HB% 1.0 1.8 3.0 991 689 A 53 ALA H A 52 ILE HB 1.0 1.8 3.0 992 690 A 53 ALA H A 52 ILE HA 1.0 1.8 3.5 993 691 A 50 SER HA A 53 ALA H 1.0 2.0 4.0 994 692 A 53 ALA H A 53 ALA HB% 1.0 2.0 4.5 995 693 A 53 ALA H A 54 GLU H 1.0 2.0 3.5 996 694 A 53 ALA H A 54 GLU HGy 1.0 4.0 5.5 997 694 A 53 ALA H A 54 GLU HGx 1.0 4.0 5.5 998 695 A 53 ALA H A 54 GLU HBy 1.0 3.5 5.5 999 695 A 53 ALA H A 54 GLU HBx 1.0 3.5 5.5 1000 696 A 54 GLU H A 55 TYR H 1.0 2.0 4.0 1001 697 A 55 TYR H A 54 GLU HBy 1.0 1.8 4.0 1002 697 A 54 GLU HBx A 55 TYR H 1.0 1.8 4.0 1003 698 A 52 ILE HA A 55 TYR H 1.0 2.5 5.0 1004 699 A 53 ALA H A 55 TYR H 1.0 2.5 4.5 1005 700 A 54 GLU H A 55 TYR H 1.0 2.0 3.5 1006 701 A 53 ALA HB% A 55 TYR H 1.0 3.5 5.5 1007 702 A 55 TYR H A 54 GLU HGy 1.0 3.0 5.0 1008 702 A 54 GLU HGx A 55 TYR H 1.0 3.0 5.0 1009 703 A 55 TYR H A 54 GLU HBy 1.0 2.5 5.0 1010 703 A 54 GLU HBx A 55 TYR H 1.0 2.5 5.0 1011 704 A 55 TYR H A 57 SER H 1.0 3.5 5.0 1012 705 A 55 TYR H A 57 SER H 1.0 2.0 5.0 1013 706 A 52 ILE HA A 55 TYR H 1.0 2.5 5.0 1014 707 A 54 GLU H A 55 TYR H 1.0 1.8 4.0 1015 708 A 55 TYR H A 54 GLU HBy 1.0 1.8 4.0 1016 708 A 54 GLU HBx A 55 TYR H 1.0 1.8 4.0 1017 709 A 53 ALA HA A 56 ILE HB 1.0 3.2 5.2 1018 710 A 56 ILE HD1% A 126 LEU HDx% 1.0 2.7 4.2 1019 711 A 126 LEU HDy% A 56 ILE HD1% 1.0 3.5 5.5 1020 712 A 52 ILE HG21 A 56 ILE HD1% 1.0 2.5 5.5 1021 713 A 56 ILE HD1% A 56 ILE HA 1.0 2.5 5.0 1022 714 A 56 ILE HD1% A 65 ILE HD1% 1.0 2.5 5.0 1023 715 A 56 ILE HD1% A 65 ILE HB 1.0 3.4 5.4 1024 716 A 56 ILE HG21 A 56 ILE HD1% 1.0 2.0 4.0 1025 717 A 56 ILE HG21 A 65 ILE HD1% 1.0 2.0 5.5 1026 718 A 56 ILE HG21 A 56 ILE HB 1.0 2.0 4.0 1027 719 A 56 ILE HG21 A 56 ILE HA 1.0 2.0 4.0 1028 720 A 56 ILE HG21 A 15 TYR HEx 1.0 4.0 5.5 1029 720 A 15 TYR HEy A 56 ILE HG21 1.0 4.0 5.5 1030 721 A 53 ALA HB% A 57 SER H 1.0 2.5 5.0 1031 722 A 57 SER H A 53 ALA HA 1.0 3.0 5.0 1032 723 A 57 SER H A 54 GLU HA 1.0 2.5 5.0 1033 724 A 57 SER H A 53 ALA HA 1.0 3.0 5.0 1034 725 A 57 SER H A 54 GLU HA 1.0 2.5 5.0 1035 726 A 53 ALA HB% A 57 SER H 1.0 2.5 5.0 1036 727 A 57 SER H A 56 ILE HB 1.0 3.3 4.5 1037 728 A 57 SER HA A 58 GLY HAy 1.0 3.5 5.0 1038 728 A 58 GLY HAx A 57 SER HA 1.0 3.5 5.0 1039 729 A 59 TYR HA A 58 GLY HAy 1.0 3.5 5.0 1040 729 A 58 GLY HAx A 59 TYR HA 1.0 3.5 5.0 1041 730 A 59 TYR HDy A 58 GLY HAy 1.0 3.5 5.0 1042 730 A 58 GLY HAx A 59 TYR HDy 1.0 3.5 5.0 1043 731 A 59 TYR H A 59 TYR HE% 1.0 3.7 5.2 1044 732 A 59 TYR H A 59 TYR HDx 1.0 2.8 4.0 1045 732 A 59 TYR HDy A 59 TYR H 1.0 2.8 4.0 1046 733 A 59 TYR H A 60 GLN HBy 1.0 4.1 5.6 1047 733 A 59 TYR H A 60 GLN HBx 1.0 4.1 5.6 1048 734 A 59 TYR H A 60 GLN HA 1.0 3.5 5.5 1049 735 A 59 TYR H A 58 GLY HAy 1.0 2.0 4.0 1050 735 A 58 GLY HAx A 59 TYR H 1.0 2.0 4.0 1051 736 A 57 SER HA A 59 TYR H 1.0 3.0 4.5 1052 737 A 59 TYR H A 57 SER HBy 1.0 3.4 5.4 1053 737 A 59 TYR H A 57 SER HBx 1.0 3.4 5.4 1054 738 A 59 TYR H A 60 GLN H 1.0 2.0 3.2 1055 739 A 59 TYR H A 58 GLY H 1.0 2.8 4.0 1056 740 A 61 ARG HA A 60 GLN HGx 1.0 3.5 5.5 1057 740 A 60 GLN HGy A 61 ARG HA 1.0 3.5 5.5 1058 741 A 60 GLN HGy A 61 ARG HBy 1.0 3.5 5.5 1059 741 A 60 GLN HGx A 61 ARG HBy 1.0 3.5 5.5 1060 741 A 61 ARG HBx A 60 GLN HGx 1.0 3.5 5.5 1061 741 A 60 GLN HGy A 61 ARG HBx 1.0 3.5 5.5 1062 742 A 59 TYR H A 60 GLN H 1.0 2.0 3.2 1063 743 A 60 GLN H A 59 TYR HBy 1.0 3.0 4.5 1064 743 A 60 GLN H A 59 TYR HBx 1.0 3.0 4.5 1065 744 A 60 GLN H A 61 ARG H 1.0 1.8 3.0 1066 745 A 60 GLN H A 61 ARG HBy 1.0 3.5 5.5 1067 745 A 60 GLN H A 61 ARG HBx 1.0 3.5 5.5 1068 746 A 60 GLN HA A 61 ARG H 1.0 1.8 4.0 1069 747 A 61 ARG HA A 61 ARG H 1.0 1.8 4.0 1070 748 A 61 ARG H A 61 ARG HBy 1.0 1.8 4.0 1071 748 A 61 ARG HBx A 61 ARG H 1.0 1.8 4.0 1072 749 A 61 ARG H A 60 GLN HBy 1.0 2.5 5.0 1073 749 A 60 GLN HBx A 61 ARG H 1.0 2.5 5.0 1074 750 A 61 ARG H A 62 SER HBy 1.0 3.0 5.5 1075 750 A 61 ARG H A 62 SER HBx 1.0 3.0 5.5 1076 751 A 60 GLN HA A 62 SER H 1.0 3.1 5.1 1077 752 A 61 ARG H A 62 SER H 1.0 1.5 3.0 1078 753 A 61 ARG HA A 62 SER H 1.0 2.0 4.0 1079 754 A 62 SER H A 61 ARG HBy 1.0 2.5 4.5 1080 754 A 61 ARG HBx A 62 SER H 1.0 2.5 4.5 1081 755 A 61 ARG HA A 62 SER H 1.0 1.8 5.0 1082 756 A 62 SER H A 61 ARG HBy 1.0 1.8 5.0 1083 756 A 61 ARG HBx A 62 SER H 1.0 1.8 5.0 1084 757 A 62 SER H A 61 ARG HDx 1.0 2.5 5.5 1085 757 A 62 SER H A 61 ARG HDy 1.0 2.5 5.5 1086 758 A 63 GLN H A 63 GLN HA 1.0 1.8 3.0 1087 759 A 63 GLN HA A 65 ILE H 1.0 3.7 5.9 1088 760 A 56 ILE HA A 65 ILE HD1% 1.0 3.4 5.4 1089 761 A 56 ILE HD1% A 65 ILE HD1% 1.0 3.0 5.0 1090 762 A 56 ILE HG21 A 65 ILE HD1% 1.0 3.0 5.0 1091 763 A 126 LEU H A 65 ILE HG21 1.0 2.5 4.5 1092 764 A 125 PHE H A 65 ILE HG21 1.0 3.0 5.5 1093 765 A 125 PHE H A 65 ILE HA 1.0 3.0 5.0 1094 766 A 125 PHE H A 65 ILE HG12 1.0 3.8 5.8 1095 766 A 125 PHE H A 65 ILE HG13 1.0 3.8 5.8 1096 767 A 126 LEU H A 65 ILE HB 1.0 3.2 5.2 1097 768 A 126 LEU H A 65 ILE HA 1.0 2.0 5.0 1098 769 A 65 ILE HA A 66 TRP H 1.0 1.8 5.0 1099 770 A 65 ILE HG21 A 66 TRP H 1.0 1.8 5.0 1100 771 A 65 ILE HB A 66 TRP H 1.0 1.8 5.0 1101 772 A 66 TRP H A 65 ILE HG12 1.0 1.8 5.0 1102 772 A 65 ILE HG13 A 66 TRP H 1.0 1.8 5.0 1103 773 A 65 ILE HB A 66 TRP H 1.0 2.8 5.0 1104 774 A 66 TRP HA A 66 TRP H 1.0 1.8 3.0 1105 775 A 66 TRP HD1 A 40 LEU HDx% 1.0 2.5 5.0 1106 776 A 65 ILE HG13 A 66 TRP H 1.0 2.0 3.5 1107 776 A 66 TRP H A 65 ILE HG12 1.0 2.0 3.5 1108 776 A 65 ILE HG21 A 66 TRP H 1.0 2.0 3.5 1109 777 A 66 TRP HD1 A 104 GLU HBx 1.0 3.5 5.5 1110 777 A 104 GLU HBy A 66 TRP HD1 1.0 3.5 5.5 1111 778 A 66 TRP H A 123 GLN HE2y 1.0 3.0 5.5 1112 778 A 66 TRP H A 123 GLN HE2x 1.0 3.0 5.5 1113 779 A 65 ILE HG21 A 66 TRP H 1.0 3.0 5.5 1114 780 A 67 ILE HA A 66 TRP H 1.0 3.5 5.5 1115 781 A 66 TRP H A 125 PHE HA 1.0 2.0 4.0 1116 782 A 66 TRP H A 124 HIS HBy 1.0 3.5 5.5 1117 782 A 124 HIS HBx A 66 TRP H 1.0 3.5 5.5 1118 783 A 66 TRP H A 125 PHE HBy 1.0 3.0 5.0 1119 783 A 125 PHE HBx A 66 TRP H 1.0 3.0 5.0 1120 784 A 125 PHE H A 66 TRP H 1.0 3.0 5.0 1121 785 A 126 LEU H A 66 TRP H 1.0 3.0 5.0 1122 786 A 65 ILE HA A 66 TRP H 1.0 2.0 3.5 1123 787 A 66 TRP H A 66 TRP HBx 1.0 2.0 4.0 1124 787 A 66 TRP HBy A 66 TRP H 1.0 2.0 4.0 1125 788 A 66 TRP HA A 67 ILE H 1.0 1.8 3.0 1126 789 A 67 ILE H A 66 TRP HBx 1.0 2.3 3.5 1127 789 A 66 TRP HBy A 67 ILE H 1.0 2.3 3.5 1128 790 A 65 ILE HG13 A 66 TRP H 1.0 2.5 4.0 1129 790 A 66 TRP H A 65 ILE HG12 1.0 2.5 4.0 1130 790 A 65 ILE HG21 A 66 TRP H 1.0 2.5 4.0 1131 791 A 67 ILE HG13 A 105 MET HGx 1.0 4.0 5.5 1132 791 A 105 MET HGy A 67 ILE HG12 1.0 4.0 5.5 1133 791 A 67 ILE HG13 A 105 MET HGy 1.0 4.0 5.5 1134 791 A 67 ILE HG12 A 105 MET HGx 1.0 4.0 5.5 1135 792 A 104 GLU HA A 67 ILE HG12 1.0 2.5 4.0 1136 792 A 67 ILE HG13 A 104 GLU HA 1.0 2.5 4.0 1137 793 A 67 ILE HB A 67 ILE HG12 1.0 2.0 3.5 1138 793 A 67 ILE HG13 A 67 ILE HB 1.0 2.0 3.5 1139 794 A 67 ILE HD1% A 67 ILE HG12 1.0 2.0 4.0 1140 794 A 67 ILE HG13 A 67 ILE HD1% 1.0 2.0 4.0 1141 795 A 67 ILE H A 40 LEU HBx 1.0 3.0 5.5 1142 795 A 40 LEU HBy A 67 ILE H 1.0 3.0 5.5 1143 796 A 104 GLU HA A 67 ILE H 1.0 2.0 4.5 1144 797 A 104 GLU HA A 67 ILE H 1.0 2.5 5.5 1145 798 A 104 GLU HA A 67 ILE H 1.0 2.0 5.0 1146 799 A 69 LEU H A 67 ILE HG12 1.0 2.0 5.0 1147 799 A 67 ILE HG13 A 69 LEU H 1.0 2.0 5.0 1148 800 A 69 LEU H A 67 ILE HD1% 1.0 2.0 5.0 1149 801 A 69 LEU H A 67 ILE HB 1.0 2.0 5.0 1150 802 A 69 LEU H A 67 ILE H 1.0 2.0 5.0 1151 803 A 67 ILE HA A 69 LEU H 1.0 2.0 5.0 1152 804 A 67 ILE H A 67 ILE HG21 1.0 1.8 5.0 1153 805 A 68 GLY H A 67 ILE HG21 1.0 1.8 5.0 1154 806 A 67 ILE H A 67 ILE HD1% 1.0 1.8 5.0 1155 807 A 68 GLY H A 67 ILE HG12 1.0 1.8 5.0 1156 807 A 67 ILE HG13 A 68 GLY H 1.0 1.8 5.0 1157 808 A 68 GLY H A 67 ILE HD1% 1.0 1.8 5.0 1158 809 A 66 TRP HA A 67 ILE H 1.0 2.0 3.0 1159 810 A 40 LEU HBy A 68 GLY H 1.0 3.0 5.5 1160 811 A 68 GLY H A 40 LEU HDx% 1.0 2.5 5.5 1161 812 A 68 GLY H A 41 ALA HB% 1.0 2.0 4.0 1162 813 A 67 ILE H A 68 GLY H 1.0 2.5 4.5 1163 814 A 67 ILE HA A 68 GLY H 1.0 2.0 3.0 1164 815 A 68 GLY H A 67 ILE HB 1.0 2.5 3.5 1165 816 A 68 GLY H A 41 ALA H 1.0 2.0 4.0 1166 817 A 68 GLY H A 40 LEU HDx% 1.0 2.5 5.5 1167 818 A 81 ILE H A 68 GLY HAy 1.0 2.0 5.0 1168 818 A 68 GLY HAx A 81 ILE H 1.0 2.0 5.0 1169 819 A 81 ILE H A 68 GLY HAy 1.0 2.0 5.0 1170 819 A 68 GLY HAx A 81 ILE H 1.0 2.0 5.0 1171 820 A 68 GLY H A 40 LEU HBx 1.0 2.0 5.0 1172 820 A 40 LEU HBy A 68 GLY H 1.0 2.0 5.0 1173 821 A 67 ILE HA A 68 GLY H 1.0 2.0 3.0 1174 822 A 69 LEU H A 68 GLY H 1.0 2.0 4.0 1175 823 A 78 TRP HBx A 69 LEU HG 1.0 2.5 5.5 1176 823 A 69 LEU HG A 78 TRP HBy 1.0 2.5 5.5 1177 824 A 69 LEU HA A 69 LEU HG 1.0 2.5 5.5 1178 825 A 69 LEU HA A 69 LEU HDx% 1.0 2.5 5.0 1179 825 A 69 LEU HA A 69 LEU HDy% 1.0 2.5 5.0 1180 826 A 69 LEU HDy% A 69 LEU HG 1.0 1.5 3.0 1181 826 A 69 LEU HG A 69 LEU HDx% 1.0 1.5 3.0 1182 827 A 69 LEU HBx A 69 LEU HDx% 1.0 2.5 5.0 1183 827 A 69 LEU HBy A 69 LEU HDx% 1.0 2.5 5.0 1184 827 A 69 LEU HDy% A 69 LEU HBy 1.0 2.5 5.0 1185 827 A 69 LEU HDy% A 69 LEU HBx 1.0 2.5 5.0 1186 828 A 103 ALA HB% A 69 LEU HDx% 1.0 2.5 5.0 1187 828 A 103 ALA HB% A 69 LEU HDy% 1.0 2.5 5.0 1188 829 A 79 GLN H A 69 LEU HDx% 1.0 2.0 5.0 1189 829 A 69 LEU HDy% A 79 GLN H 1.0 2.0 5.0 1190 830 A 69 LEU HA A 79 GLN H 1.0 2.0 5.0 1191 831 A 79 GLN H A 69 LEU HG 1.0 2.5 5.5 1192 832 A 69 LEU HA A 80 TRP H 1.0 2.0 5.0 1193 833 A 80 TRP HA A 69 LEU H 1.0 2.0 5.0 1194 834 A 69 LEU HA A 81 ILE H 1.0 2.0 5.0 1195 835 A 103 ALA H A 69 LEU HBy 1.0 2.0 5.0 1196 835 A 69 LEU HBx A 103 ALA H 1.0 2.0 5.0 1197 836 A 69 LEU H A 103 ALA H 1.0 2.0 5.0 1198 837 A 69 LEU HG A 103 ALA H 1.0 2.0 5.0 1199 838 A 69 LEU HA A 70 HIS H 1.0 2.0 4.5 1200 839 A 69 LEU H A 69 LEU HBy 1.0 1.8 5.0 1201 839 A 69 LEU H A 69 LEU HBx 1.0 1.8 5.0 1202 840 A 70 HIS H A 69 LEU HDx% 1.0 1.8 5.0 1203 840 A 69 LEU HDy% A 70 HIS H 1.0 1.8 5.0 1204 841 A 70 HIS H A 69 LEU HBy 1.0 1.8 5.0 1205 841 A 69 LEU HBx A 70 HIS H 1.0 1.8 5.0 1206 842 A 69 LEU H A 69 LEU HDx% 1.0 3.0 5.5 1207 843 A 69 LEU HG A 70 HIS H 1.0 1.8 5.0 1208 844 A 70 HIS H A 69 LEU HBy 1.0 2.7 4.7 1209 844 A 69 LEU HBx A 70 HIS H 1.0 2.7 4.7 1210 845 A 69 LEU H A 70 HIS H 1.0 2.5 4.5 1211 846 A 69 LEU H A 68 GLY HAy 1.0 2.0 3.5 1212 846 A 68 GLY HAx A 69 LEU H 1.0 2.0 3.5 1213 847 A 69 LEU H A 68 GLY H 1.0 2.5 4.0 1214 848 A 79 GLN H A 70 HIS H 1.0 2.0 5.0 1215 849 A 103 ALA H A 70 HIS HA 1.0 3.3 5.3 1216 850 A 69 LEU HA A 70 HIS H 1.0 1.8 3.0 1217 851 A 70 HIS H A 69 LEU HBy 1.0 2.5 4.5 1218 851 A 69 LEU HBx A 70 HIS H 1.0 2.5 4.5 1219 852 A 70 HIS H A 69 LEU HDx% 1.0 2.3 4.3 1220 852 A 69 LEU HDy% A 70 HIS H 1.0 2.3 4.3 1221 853 A 69 LEU HG A 70 HIS H 1.0 2.5 5.0 1222 854 A 70 HIS H A 71 ASP H 1.0 2.5 4.5 1223 855 A 70 HIS H A 70 HIS HBy 1.0 3.0 5.5 1224 855 A 70 HIS H A 70 HIS HBx 1.0 3.0 5.5 1225 856 A 70 HIS H A 78 TRP HA 1.0 2.0 5.0 1226 857 A 70 HIS H A 78 TRP HBy 1.0 2.5 5.5 1227 857 A 78 TRP HBx A 70 HIS H 1.0 2.5 5.5 1228 858 A 70 HIS H A 79 GLN HA 1.0 2.0 5.0 1229 859 A 80 TRP HA A 70 HIS H 1.0 2.0 5.0 1230 860 A 103 ALA H A 70 HIS HBy 1.0 3.6 5.6 1231 860 A 103 ALA H A 70 HIS HBx 1.0 3.6 5.6 1232 861 A 71 ASP H A 71 ASP HBx 1.0 2.0 4.5 1233 861 A 71 ASP H A 71 ASP HBy 1.0 2.0 4.5 1234 862 A 72 PRO HA A 71 ASP H 1.0 3.0 5.5 1235 863 A 70 HIS HA A 71 ASP H 1.0 2.0 4.0 1236 864 A 71 ASP H A 101 HIS HA 1.0 3.5 5.0 1237 865 A 71 ASP H A 102 CYS H 1.0 3.5 5.0 1238 866 A 103 ALA H A 71 ASP H 1.0 4.0 5.5 1239 867 A 73 GLN H A 71 ASP HBx 1.0 3.4 5.4 1240 867 A 71 ASP HBy A 73 GLN H 1.0 3.4 5.4 1241 868 A 71 ASP H A 71 ASP HBx 1.0 1.8 5.0 1242 868 A 71 ASP H A 71 ASP HBy 1.0 1.8 5.0 1243 869 A 74 LYS H A 72 PRO HBy 1.0 3.2 5.2 1244 869 A 72 PRO HBx A 74 LYS H 1.0 3.2 5.2 1245 870 A 74 LYS H A 72 PRO HDx 1.0 3.0 5.0 1246 870 A 72 PRO HDy A 74 LYS H 1.0 3.0 5.0 1247 871 A 77 GLN H A 72 PRO HGy 1.0 3.0 5.0 1248 871 A 72 PRO HGx A 77 GLN H 1.0 3.0 5.0 1249 872 A 76 GLN H A 72 PRO HGy 1.0 1.5 4.5 1250 872 A 72 PRO HGx A 76 GLN H 1.0 1.5 4.5 1251 873 A 73 GLN H A 72 PRO HBy 1.0 2.0 4.5 1252 873 A 73 GLN H A 72 PRO HBx 1.0 2.0 4.5 1253 874 A 73 GLN H A 72 PRO HGy 1.0 1.8 5.0 1254 874 A 73 GLN H A 72 PRO HGx 1.0 1.8 5.0 1255 875 A 73 GLN H A 72 PRO HDx 1.0 1.8 5.0 1256 875 A 72 PRO HDy A 73 GLN H 1.0 1.8 5.0 1257 876 A 73 GLN H A 72 PRO HBy 1.0 2.0 5.0 1258 876 A 73 GLN H A 72 PRO HBx 1.0 2.0 5.0 1259 877 A 72 PRO HA A 73 GLN H 1.0 2.0 5.0 1260 878 A 73 GLN H A 75 ARG H 1.0 2.0 3.5 1261 879 A 75 ARG H A 73 GLN HA 1.0 3.0 5.0 1262 880 A 73 GLN H A 73 GLN HGx 1.0 2.0 4.5 1263 880 A 73 GLN H A 73 GLN HGy 1.0 2.0 4.5 1264 881 A 73 GLN H A 74 LYS H 1.0 2.0 3.0 1265 882 A 74 LYS H A 73 GLN HBy 1.0 1.8 5.0 1266 882 A 74 LYS H A 73 GLN HBx 1.0 1.8 5.0 1267 883 A 74 LYS H A 73 GLN HGx 1.0 1.8 5.0 1268 883 A 74 LYS H A 73 GLN HGy 1.0 1.8 5.0 1269 884 A 73 GLN H A 74 LYS HA 1.0 3.0 5.0 1270 885 A 73 GLN H A 74 LYS HGx 1.0 2.3 5.5 1271 885 A 73 GLN H A 74 LYS HGy 1.0 2.3 5.5 1272 886 A 74 LYS HA A 74 LYS HGx 1.0 2.0 3.5 1273 886 A 74 LYS HA A 74 LYS HGy 1.0 2.0 3.5 1274 887 A 74 LYS H A 73 GLN HA 1.0 2.0 3.5 1275 888 A 73 GLN HA A 74 LYS HGx 1.0 2.0 5.5 1276 888 A 73 GLN HA A 74 LYS HGy 1.0 2.0 5.5 1277 889 A 76 GLN H A 74 LYS HA 1.0 2.0 5.0 1278 890 A 73 GLN H A 74 LYS H 1.0 2.0 4.0 1279 891 A 74 LYS H A 76 GLN H 1.0 2.0 5.0 1280 892 A 74 LYS H A 75 ARG H 1.0 2.0 4.5 1281 893 A 74 LYS H A 74 LYS HBy 1.0 1.8 5.0 1282 893 A 74 LYS H A 74 LYS HBx 1.0 1.8 5.0 1283 894 A 74 LYS H A 74 LYS HGx 1.0 1.8 5.0 1284 894 A 74 LYS H A 74 LYS HGy 1.0 1.8 5.0 1285 895 A 75 ARG H A 74 LYS HA 1.0 2.0 4.0 1286 896 A 74 LYS H A 75 ARG HBy 1.0 3.5 5.5 1287 896 A 74 LYS H A 75 ARG HBx 1.0 3.5 5.5 1288 897 A 75 ARG H A 74 LYS HGx 1.0 1.8 5.0 1289 897 A 75 ARG H A 74 LYS HGy 1.0 1.8 5.0 1290 898 A 74 LYS H A 75 ARG HA 1.0 3.2 5.2 1291 899 A 75 ARG H A 73 GLN HBy 1.0 3.5 5.5 1292 899 A 75 ARG H A 73 GLN HBx 1.0 3.5 5.5 1293 900 A 73 GLN H A 75 ARG H 1.0 1.8 3.0 1294 901 A 75 ARG H A 74 LYS HA 1.0 2.0 3.5 1295 902 A 75 ARG HA A 75 ARG HBy 1.0 2.0 4.0 1296 902 A 75 ARG HBx A 75 ARG HA 1.0 2.0 4.0 1297 903 A 75 ARG HBy A 75 ARG HDx 1.0 2.0 4.0 1298 903 A 75 ARG HBx A 75 ARG HDx 1.0 2.0 4.0 1299 903 A 75 ARG HDy A 75 ARG HBy 1.0 2.0 4.0 1300 903 A 75 ARG HBx A 75 ARG HDy 1.0 2.0 4.0 1301 904 A 73 GLN HGx A 75 ARG HBy 1.0 2.8 4.8 1302 904 A 73 GLN HGy A 75 ARG HBy 1.0 2.8 4.8 1303 904 A 75 ARG HBx A 73 GLN HGx 1.0 2.8 4.8 1304 904 A 73 GLN HGy A 75 ARG HBx 1.0 2.8 4.8 1305 905 A 77 GLN H A 75 ARG HBy 1.0 2.5 5.5 1306 905 A 77 GLN H A 75 ARG HBx 1.0 2.5 5.5 1307 906 A 75 ARG H A 75 ARG HBy 1.0 2.0 4.5 1308 906 A 75 ARG H A 75 ARG HBx 1.0 2.0 4.5 1309 907 A 75 ARG H A 76 GLN HA 1.0 2.5 4.5 1310 908 A 76 GLN H A 75 ARG H 1.0 2.0 3.0 1311 909 A 76 GLN H A 75 ARG HA 1.0 1.8 5.0 1312 910 A 76 GLN H A 75 ARG HBy 1.0 1.8 5.0 1313 910 A 76 GLN H A 75 ARG HBx 1.0 1.8 5.0 1314 911 A 76 GLN H A 75 ARG HBy 1.0 2.0 4.0 1315 911 A 76 GLN H A 75 ARG HBx 1.0 2.0 4.0 1316 912 A 75 ARG H A 76 GLN HE2y 1.0 3.2 5.2 1317 912 A 75 ARG H A 76 GLN HE2x 1.0 3.2 5.2 1318 913 A 76 GLN HA A 76 GLN HBx 1.0 2.5 4.5 1319 913 A 76 GLN HA A 76 GLN HBy 1.0 2.5 4.5 1320 914 A 76 GLN H A 74 LYS HA 1.0 2.5 5.0 1321 915 A 76 GLN H A 75 ARG HBy 1.0 2.5 4.0 1322 915 A 76 GLN H A 75 ARG HBx 1.0 2.5 4.0 1323 916 A 76 GLN H A 75 ARG HA 1.0 2.0 3.5 1324 917 A 76 GLN H A 75 ARG H 1.0 2.0 3.5 1325 918 A 76 GLN H A 76 GLN HGx 1.0 2.0 4.5 1326 918 A 76 GLN H A 76 GLN HGy 1.0 2.0 4.5 1327 919 A 77 GLN H A 76 GLN H 1.0 2.0 4.5 1328 920 A 77 GLN H A 76 GLN HA 1.0 2.0 4.5 1329 921 A 76 GLN H A 76 GLN HE2y 1.0 1.8 5.0 1330 921 A 76 GLN H A 76 GLN HE2x 1.0 1.8 5.0 1331 922 A 79 GLN H A 77 GLN HE2y 1.0 3.5 5.5 1332 922 A 77 GLN HE2x A 79 GLN H 1.0 3.5 5.5 1333 923 A 77 GLN H A 74 LYS HA 1.0 2.5 5.5 1334 924 A 77 GLN H A 76 GLN HBx 1.0 2.0 4.5 1335 924 A 77 GLN H A 76 GLN HBy 1.0 2.0 4.5 1336 925 A 77 GLN H A 76 GLN H 1.0 2.5 3.5 1337 926 A 77 GLN H A 76 GLN H 1.0 2.0 3.5 1338 927 A 77 GLN H A 77 GLN HBy 1.0 2.0 4.5 1339 927 A 77 GLN HBx A 77 GLN H 1.0 2.0 4.5 1340 928 A 77 GLN H A 77 GLN HGx 1.0 1.8 5.0 1341 928 A 77 GLN H A 77 GLN HGy 1.0 1.8 5.0 1342 929 A 77 GLN H A 78 TRP H 1.0 2.7 4.2 1343 930 A 78 TRP H A 77 GLN HGx 1.0 2.0 3.5 1344 930 A 77 GLN HGy A 78 TRP H 1.0 2.0 3.5 1345 931 A 78 TRP H A 77 GLN HBy 1.0 2.5 4.0 1346 931 A 77 GLN HBx A 78 TRP H 1.0 2.5 4.0 1347 932 A 78 TRP H A 77 GLN HE2y 1.0 3.2 5.2 1348 932 A 77 GLN HE2x A 78 TRP H 1.0 3.2 5.2 1349 933 A 78 TRP HA A 77 GLN H 1.0 3.2 4.7 1350 934 A 69 LEU HDx% A 78 TRP HBy 1.0 2.8 4.3 1351 934 A 69 LEU HDy% A 78 TRP HBy 1.0 2.8 4.3 1352 934 A 78 TRP HBx A 69 LEU HDx% 1.0 2.8 4.3 1353 934 A 69 LEU HDy% A 78 TRP HBx 1.0 2.8 4.3 1354 935 A 78 TRP HBx A 69 LEU HG 1.0 2.0 4.0 1355 935 A 69 LEU HG A 78 TRP HBy 1.0 2.0 4.0 1356 936 A 78 TRP H A 77 GLN HBy 1.0 2.4 4.4 1357 936 A 77 GLN HBx A 78 TRP H 1.0 2.4 4.4 1358 937 A 77 GLN H A 78 TRP H 1.0 2.7 4.2 1359 938 A 78 TRP H A 79 GLN HGx 1.0 3.0 5.0 1360 938 A 78 TRP H A 79 GLN HGy 1.0 3.0 5.0 1361 939 A 78 TRP H A 77 GLN HA 1.0 2.0 4.0 1362 940 A 79 GLN H A 78 TRP HA 1.0 1.8 5.0 1363 941 A 77 GLN H A 78 TRP H 1.0 1.8 5.0 1364 942 A 78 TRP H A 79 GLN HGx 1.0 1.8 5.0 1365 942 A 78 TRP H A 79 GLN HGy 1.0 1.8 5.0 1366 943 A 78 TRP H A 77 GLN HA 1.0 2.0 3.5 1367 944 A 79 GLN H A 78 TRP H 1.0 3.0 4.5 1368 945 A 79 GLN H A 78 TRP HA 1.0 1.8 3.0 1369 946 A 79 GLN H A 78 TRP H 1.0 2.3 4.5 1370 947 A 79 GLN H A 69 LEU HG 1.0 2.3 5.5 1371 948 A 79 GLN H A 70 HIS HA 1.0 2.3 5.5 1372 949 A 84 ALA H A 79 GLN HBy 1.0 2.0 5.0 1373 949 A 79 GLN HBx A 84 ALA H 1.0 2.0 5.0 1374 950 A 79 GLN HA A 84 ALA H 1.0 3.6 5.6 1375 951 A 83 GLY H A 79 GLN HBy 1.0 2.0 5.0 1376 951 A 79 GLN HBx A 83 GLY H 1.0 2.0 5.0 1377 952 A 80 TRP H A 79 GLN HA 1.0 2.0 4.5 1378 953 A 79 GLN H A 79 GLN HBy 1.0 1.8 5.0 1379 953 A 79 GLN H A 79 GLN HBx 1.0 1.8 5.0 1380 954 A 80 TRP H A 79 GLN HBy 1.0 1.8 5.0 1381 954 A 80 TRP H A 79 GLN HBx 1.0 1.8 5.0 1382 955 A 79 GLN H A 80 TRP H 1.0 1.8 5.0 1383 956 A 80 TRP H A 79 GLN HA 1.0 1.8 3.0 1384 957 A 80 TRP H A 79 GLN HBy 1.0 2.0 4.0 1385 957 A 80 TRP H A 79 GLN HBx 1.0 2.0 4.0 1386 958 A 86 TYR H A 80 TRP H 1.0 3.5 5.5 1387 959 A 84 ALA H A 80 TRP HBy 1.0 2.0 4.5 1388 959 A 80 TRP HBx A 84 ALA H 1.0 2.0 4.5 1389 960 A 83 GLY H A 80 TRP HBy 1.0 3.5 5.0 1390 960 A 80 TRP HBx A 83 GLY H 1.0 3.5 5.0 1391 961 A 84 ALA HB% A 80 TRP H 1.0 2.9 4.9 1392 962 A 80 TRP H A 84 ALA H 1.0 2.0 5.0 1393 963 A 80 TRP HA A 83 GLY H 1.0 4.0 5.5 1394 964 A 80 TRP H A 83 GLY H 1.0 2.0 5.0 1395 965 A 84 ALA HA A 80 TRP H 1.0 2.6 5.6 1396 966 A 80 TRP HA A 84 ALA H 1.0 3.2 5.2 1397 967 A 80 TRP H A 80 TRP HBy 1.0 1.8 5.0 1398 967 A 80 TRP HBx A 80 TRP H 1.0 1.8 5.0 1399 968 A 80 TRP HA A 81 ILE H 1.0 1.8 3.0 1400 969 A 81 ILE H A 80 TRP HBy 1.0 1.8 5.0 1401 969 A 80 TRP HBx A 81 ILE H 1.0 1.8 5.0 1402 970 A 81 ILE H A 80 TRP H 1.0 1.8 5.0 1403 971 A 81 ILE H A 80 TRP HBy 1.0 1.8 5.0 1404 971 A 80 TRP HBx A 81 ILE H 1.0 1.8 5.0 1405 972 A 81 ILE HD1% A 39 HIS HBy 1.0 2.5 5.5 1406 972 A 39 HIS HBx A 81 ILE HD1% 1.0 2.5 5.5 1407 973 A 81 ILE HA A 81 ILE HD1% 1.0 3.2 5.2 1408 974 A 81 ILE HD1% A 81 ILE HB 1.0 2.0 3.5 1409 975 A 81 ILE HB A 39 HIS HD2 1.0 2.5 5.5 1410 976 A 81 ILE HA A 80 TRP HA 1.0 3.0 4.5 1411 977 A 81 ILE HA A 80 TRP HBy 1.0 4.0 5.5 1412 977 A 80 TRP HBx A 81 ILE HA 1.0 4.0 5.5 1413 978 A 81 ILE HA A 83 GLY H 1.0 2.0 5.0 1414 979 A 81 ILE H A 82 ASP H 1.0 2.5 4.0 1415 980 A 81 ILE HA A 84 ALA H 1.0 2.5 5.5 1416 981 A 81 ILE H A 81 ILE HG21 1.0 2.3 3.5 1417 982 A 81 ILE H A 81 ILE HB 1.0 2.3 3.5 1418 983 A 81 ILE H A 81 ILE HG12 1.0 1.8 5.0 1419 983 A 81 ILE H A 81 ILE HG13 1.0 1.8 5.0 1420 984 A 80 TRP HA A 82 ASP H 1.0 3.0 5.5 1421 985 A 81 ILE H A 82 ASP H 1.0 2.2 4.2 1422 986 A 82 ASP H A 80 TRP HBy 1.0 3.0 5.0 1423 986 A 80 TRP HBx A 82 ASP H 1.0 3.0 5.0 1424 987 A 81 ILE HB A 82 ASP H 1.0 2.5 4.5 1425 988 A 82 ASP H A 81 ILE HG21 1.0 3.0 5.0 1426 989 A 80 TRP H A 82 ASP H 1.0 4.5 5.5 1427 990 A 82 ASP H A 80 TRP HBy 1.0 3.0 5.0 1428 990 A 80 TRP HBx A 82 ASP H 1.0 3.0 5.0 1429 991 A 84 ALA HB% A 82 ASP H 1.0 3.8 5.8 1430 992 A 84 ALA H A 82 ASP HBy 1.0 2.5 5.5 1431 992 A 84 ALA H A 82 ASP HBx 1.0 2.5 5.5 1432 993 A 84 ALA H A 82 ASP H 1.0 2.5 3.5 1433 994 A 81 ILE HA A 82 ASP H 1.0 2.3 3.5 1434 995 A 82 ASP H A 81 ILE HG21 1.0 1.8 5.0 1435 996 A 83 GLY H A 82 ASP HBy 1.0 1.8 5.0 1436 996 A 83 GLY H A 82 ASP HBx 1.0 1.8 5.0 1437 997 A 83 GLY H A 79 GLN HBy 1.0 3.0 5.0 1438 997 A 79 GLN HBx A 83 GLY H 1.0 3.0 5.0 1439 998 A 80 TRP HA A 83 GLY H 1.0 3.5 5.5 1440 999 A 83 GLY H A 80 TRP HBy 1.0 3.0 5.0 1441 999 A 80 TRP HBx A 83 GLY H 1.0 3.0 5.0 1442 1000 A 81 ILE H A 83 GLY H 1.0 3.0 5.0 1443 1001 A 80 TRP H A 83 GLY H 1.0 2.5 5.0 1444 1002 A 83 GLY H A 82 ASP H 1.0 1.5 3.0 1445 1003 A 84 ALA HA A 83 GLY H 1.0 3.0 5.0 1446 1004 A 84 ALA HB% A 83 GLY H 1.0 3.2 5.2 1447 1005 A 81 ILE H A 83 GLY H 1.0 3.0 5.0 1448 1006 A 80 TRP HA A 83 GLY H 1.0 3.5 5.5 1449 1007 A 83 GLY H A 80 TRP HBy 1.0 3.0 5.0 1450 1007 A 80 TRP HBx A 83 GLY H 1.0 3.0 5.0 1451 1008 A 83 GLY H A 79 GLN HBy 1.0 3.0 5.0 1452 1008 A 79 GLN HBx A 83 GLY H 1.0 3.0 5.0 1453 1009 A 80 TRP H A 83 GLY H 1.0 2.5 5.0 1454 1010 A 83 GLY H A 83 GLY HAy 1.0 2.0 4.5 1455 1010 A 83 GLY H A 83 GLY HAx 1.0 2.0 4.5 1456 1011 A 84 ALA HB% A 83 GLY H 1.0 2.7 5.2 1457 1012 A 84 ALA HB% A 83 GLY H 1.0 1.8 5.0 1458 1013 A 84 ALA H A 79 GLN HBy 1.0 2.5 5.0 1459 1013 A 79 GLN HBx A 84 ALA H 1.0 2.5 5.0 1460 1014 A 80 TRP H A 84 ALA H 1.0 2.5 5.0 1461 1015 A 84 ALA H A 80 TRP HBy 1.0 3.0 5.0 1462 1015 A 80 TRP HBx A 84 ALA H 1.0 3.0 5.0 1463 1016 A 80 TRP HA A 84 ALA H 1.0 3.3 5.3 1464 1017 A 84 ALA H A 80 TRP HBy 1.0 3.0 5.0 1465 1017 A 80 TRP HBx A 84 ALA H 1.0 3.0 5.0 1466 1018 A 80 TRP H A 84 ALA H 1.0 2.7 5.2 1467 1019 A 84 ALA H A 79 GLN HBy 1.0 2.5 5.0 1468 1019 A 79 GLN HBx A 84 ALA H 1.0 2.5 5.0 1469 1020 A 84 ALA HB% A 86 TYR H 1.0 2.5 5.5 1470 1021 A 84 ALA HB% A 84 ALA H 1.0 2.0 4.5 1471 1022 A 84 ALA HA A 85 MET H 1.0 2.0 4.5 1472 1023 A 84 ALA HB% A 85 MET H 1.0 2.0 4.5 1473 1024 A 84 ALA H A 83 GLY H 1.0 1.8 5.0 1474 1025 A 84 ALA H A 83 GLY HAy 1.0 2.0 4.0 1475 1025 A 84 ALA H A 83 GLY HAx 1.0 2.0 4.0 1476 1026 A 85 MET H A 84 ALA H 1.0 1.8 5.0 1477 1027 A 85 MET H A 44 LEU HDy% 1.0 2.0 5.0 1478 1028 A 84 ALA HA A 85 MET H 1.0 1.8 3.0 1479 1029 A 85 MET H A 44 LEU HDy% 1.0 2.0 5.0 1480 1030 A 84 ALA HA A 85 MET H 1.0 2.0 4.0 1481 1031 A 85 MET H A 85 MET HBy 1.0 2.0 4.5 1482 1031 A 85 MET HBx A 85 MET H 1.0 2.0 4.5 1483 1032 A 85 MET H A 85 MET HGy 1.0 2.0 3.5 1484 1032 A 85 MET H A 85 MET HGx 1.0 2.0 3.5 1485 1033 A 85 MET H A 86 TYR H 1.0 3.0 5.0 1486 1034 A 86 TYR H A 85 MET HBy 1.0 3.0 5.0 1487 1034 A 85 MET HBx A 86 TYR H 1.0 3.0 5.0 1488 1035 A 85 MET HA A 79 GLN HBy 1.0 3.0 5.0 1489 1035 A 85 MET HA A 79 GLN HBx 1.0 3.0 5.0 1490 1036 A 84 ALA HB% A 85 MET HA 1.0 3.5 5.0 1491 1037 A 85 MET HA A 86 TYR HA 1.0 3.0 5.0 1492 1038 A 85 MET HA A 86 TYR HBy 1.0 3.0 5.0 1493 1038 A 85 MET HA A 86 TYR HBx 1.0 3.0 5.0 1494 1039 A 85 MET H A 86 TYR H 1.0 2.5 4.5 1495 1040 A 86 TYR H A 85 MET HBy 1.0 2.5 4.5 1496 1040 A 85 MET HBx A 86 TYR H 1.0 2.5 4.5 1497 1041 A 86 TYR H A 85 MET HGy 1.0 3.2 5.2 1498 1041 A 86 TYR H A 85 MET HGx 1.0 3.2 5.2 1499 1042 A 85 MET HA A 86 TYR H 1.0 2.0 3.5 1500 1043 A 86 TYR H A 86 TYR HBy 1.0 2.0 4.5 1501 1043 A 86 TYR HBx A 86 TYR H 1.0 2.0 4.5 1502 1044 A 86 TYR H A 85 MET HGy 1.0 4.0 5.5 1503 1044 A 86 TYR H A 85 MET HGx 1.0 4.0 5.5 1504 1045 A 87 LEU HA A 87 LEU HDy% 1.0 2.0 5.5 1505 1046 A 87 LEU H A 87 LEU HG 1.0 2.5 5.0 1506 1047 A 87 LEU H A 89 ARG HA 1.0 3.5 5.5 1507 1048 A 86 TYR HA A 87 LEU H 1.0 2.0 3.2 1508 1049 A 87 LEU H A 86 TYR HDx 1.0 2.0 5.0 1509 1049 A 86 TYR HDy A 87 LEU H 1.0 2.0 5.0 1510 1050 A 88 TYR H A 87 LEU HBy 1.0 2.0 4.5 1511 1050 A 87 LEU HBx A 88 TYR H 1.0 2.0 4.5 1512 1051 A 86 TYR HA A 87 LEU H 1.0 2.0 4.5 1513 1052 A 87 LEU H A 88 TYR H 1.0 3.0 4.5 1514 1053 A 87 LEU H A 86 TYR HDx 1.0 1.8 5.0 1515 1053 A 86 TYR HDy A 87 LEU H 1.0 1.8 5.0 1516 1054 A 88 TYR H A 88 TYR HBy 1.0 2.1 3.8 1517 1054 A 88 TYR HBx A 88 TYR H 1.0 2.1 3.8 1518 1055 A 88 TYR H A 78 TRP HE1 1.0 3.0 5.5 1519 1056 A 88 TYR H A 89 ARG HBy 1.0 3.6 5.6 1520 1056 A 88 TYR H A 89 ARG HBx 1.0 3.6 5.6 1521 1057 A 87 LEU H A 88 TYR H 1.0 2.5 4.5 1522 1058 A 88 TYR H A 87 LEU HDx% 1.0 2.0 5.0 1523 1058 A 88 TYR H A 87 LEU HDy% 1.0 2.0 5.0 1524 1059 A 87 LEU HA A 88 TYR H 1.0 1.8 3.0 1525 1060 A 88 TYR H A 88 TYR HBy 1.0 2.2 4.0 1526 1060 A 88 TYR HBx A 88 TYR H 1.0 2.2 4.0 1527 1061 A 87 LEU HA A 88 TYR HBy 1.0 3.5 5.0 1528 1061 A 88 TYR HBx A 87 LEU HA 1.0 3.5 5.0 1529 1062 A 89 ARG H A 88 TYR HA 1.0 1.8 4.0 1530 1063 A 88 TYR H A 89 ARG H 1.0 2.7 4.2 1531 1064 A 89 ARG H A 88 TYR HBy 1.0 3.5 4.5 1532 1064 A 88 TYR HBx A 89 ARG H 1.0 3.5 4.5 1533 1065 A 90 SER H A 89 ARG HBy 1.0 2.2 4.2 1534 1065 A 89 ARG HBx A 90 SER H 1.0 2.2 4.2 1535 1066 A 90 SER H A 90 SER HBy 1.0 2.0 4.5 1536 1066 A 90 SER H A 90 SER HBx 1.0 2.0 4.5 1537 1067 A 89 ARG HA A 90 SER H 1.0 1.8 4.0 1538 1068 A 89 ARG HA A 90 SER H 1.0 2.0 4.5 1539 1069 A 91 TRP HA A 90 SER H 1.0 3.6 5.6 1540 1070 A 91 TRP H A 92 SER HBy 1.0 3.0 5.5 1541 1070 A 91 TRP H A 92 SER HBx 1.0 3.0 5.5 1542 1071 A 91 TRP H A 90 SER HBy 1.0 2.5 4.0 1543 1071 A 90 SER HBx A 91 TRP H 1.0 2.5 4.0 1544 1072 A 90 SER HA A 91 TRP H 1.0 2.3 3.5 1545 1073 A 91 TRP H A 90 SER HBy 1.0 2.0 4.5 1546 1073 A 90 SER HBx A 91 TRP H 1.0 2.0 4.5 1547 1074 A 92 SER H A 91 TRP HBy 1.0 1.8 5.0 1548 1074 A 91 TRP HBx A 92 SER H 1.0 1.8 5.0 1549 1075 A 92 SER H A 92 SER HBy 1.0 2.0 4.5 1550 1075 A 92 SER HBx A 92 SER H 1.0 2.0 4.5 1551 1076 A 91 TRP HA A 92 SER H 1.0 1.8 4.0 1552 1077 A 90 SER HA A 92 SER H 1.0 3.5 5.5 1553 1078 A 91 TRP HA A 92 SER H 1.0 2.0 4.5 1554 1079 A 92 SER H A 92 SER HBy 1.0 1.8 5.0 1555 1079 A 92 SER HBx A 92 SER H 1.0 1.8 5.0 1556 1080 A 92 SER H A 93 GLY H 1.0 2.3 3.8 1557 1081 A 93 GLY H A 92 SER HBy 1.0 2.0 4.5 1558 1081 A 92 SER HBx A 93 GLY H 1.0 2.0 4.5 1559 1082 A 93 GLY H A 94 LYS H 1.0 2.0 4.5 1560 1083 A 94 LYS H A 93 GLY HAy 1.0 2.5 4.5 1561 1083 A 93 GLY HAx A 94 LYS H 1.0 2.5 4.5 1562 1084 A 95 SER H A 94 LYS HBy 1.0 2.0 4.5 1563 1084 A 94 LYS HBx A 95 SER H 1.0 2.0 4.5 1564 1085 A 94 LYS H A 93 GLY HAy 1.0 2.5 4.0 1565 1085 A 93 GLY HAx A 94 LYS H 1.0 2.5 4.0 1566 1086 A 94 LYS H A 94 LYS HBy 1.0 2.0 3.5 1567 1086 A 94 LYS H A 94 LYS HBx 1.0 2.0 3.5 1568 1087 A 95 SER H A 94 LYS HBy 1.0 1.8 5.0 1569 1087 A 94 LYS HBx A 95 SER H 1.0 1.8 5.0 1570 1088 A 94 LYS H A 94 LYS HGx 1.0 2.5 4.5 1571 1088 A 94 LYS HGy A 94 LYS H 1.0 2.5 4.5 1572 1089 A 94 LYS H A 95 SER H 1.0 1.8 5.0 1573 1090 A 92 SER H A 94 LYS H 1.0 3.2 4.7 1574 1091 A 95 SER H A 94 LYS HEx 1.0 1.8 5.0 1575 1091 A 94 LYS HEy A 95 SER H 1.0 1.8 5.0 1576 1092 A 94 LYS HA A 95 SER H 1.0 1.8 4.0 1577 1093 A 95 SER H A 94 LYS HBy 1.0 1.8 4.0 1578 1093 A 94 LYS HBx A 95 SER H 1.0 1.8 4.0 1579 1094 A 95 SER H A 94 LYS HGx 1.0 2.4 4.4 1580 1094 A 94 LYS HGy A 95 SER H 1.0 2.4 4.4 1581 1095 A 95 SER H A 95 SER HBx 1.0 1.0 3.5 1582 1095 A 95 SER H A 95 SER HBy 1.0 1.0 3.5 1583 1096 A 96 MET HA A 115 SER H 1.0 3.6 5.6 1584 1097 A 98 GLY H A 96 MET HBy 1.0 2.0 5.0 1585 1097 A 96 MET HBx A 98 GLY H 1.0 2.0 5.0 1586 1098 A 96 MET HA A 97 GLY H 1.0 2.0 4.5 1587 1099 A 97 GLY H A 96 MET HBy 1.0 1.8 5.0 1588 1099 A 96 MET HBx A 97 GLY H 1.0 1.8 5.0 1589 1100 A 97 GLY H A 96 MET HGy 1.0 1.8 5.0 1590 1100 A 96 MET HGx A 97 GLY H 1.0 1.8 5.0 1591 1101 A 97 GLY H A 96 MET HBy 1.0 2.8 4.0 1592 1101 A 96 MET HBx A 97 GLY H 1.0 2.8 4.0 1593 1102 A 97 GLY H A 95 SER HA 1.0 2.7 4.2 1594 1103 A 97 GLY H A 96 MET HGy 1.0 2.3 4.5 1595 1103 A 96 MET HGx A 97 GLY H 1.0 2.3 4.5 1596 1104 A 98 GLY H A 100 LYS H 1.0 2.5 5.5 1597 1105 A 98 GLY H A 97 GLY HAy 1.0 2.0 3.5 1598 1105 A 97 GLY HAx A 98 GLY H 1.0 2.0 3.5 1599 1106 A 98 GLY H A 99 ASN H 1.0 1.8 5.0 1600 1107 A 98 GLY H A 99 ASN HBy 1.0 2.3 5.5 1601 1107 A 99 ASN HBx A 98 GLY H 1.0 2.3 5.5 1602 1108 A 99 ASN H A 98 GLY HAx 1.0 2.0 3.2 1603 1108 A 99 ASN H A 98 GLY HAy 1.0 2.0 3.2 1604 1109 A 99 ASN H A 116 SER HBy 1.0 2.0 5.0 1605 1109 A 99 ASN H A 116 SER HBx 1.0 2.0 5.0 1606 1110 A 99 ASN H A 117 ASN H 1.0 3.5 6.0 1607 1111 A 103 ALA H A 99 ASN HD2x 1.0 3.5 5.5 1608 1111 A 99 ASN HD2y A 103 ALA H 1.0 3.5 5.5 1609 1112 A 99 ASN H A 99 ASN HA 1.0 1.8 5.0 1610 1113 A 100 LYS H A 99 ASN HA 1.0 2.0 4.5 1611 1114 A 99 ASN H A 99 ASN HBy 1.0 1.8 5.0 1612 1114 A 99 ASN HBx A 99 ASN H 1.0 1.8 5.0 1613 1115 A 100 LYS H A 99 ASN H 1.0 2.0 4.0 1614 1116 A 99 ASN H A 99 ASN HD2x 1.0 3.4 5.4 1615 1116 A 99 ASN HD2y A 99 ASN H 1.0 3.4 5.4 1616 1117 A 99 ASN H A 100 LYS HGx 1.0 3.3 5.3 1617 1117 A 99 ASN H A 100 LYS HGy 1.0 3.3 5.3 1618 1118 A 100 LYS H A 99 ASN HBy 1.0 2.0 5.0 1619 1118 A 99 ASN HBx A 100 LYS H 1.0 2.0 5.0 1620 1119 A 100 LYS H A 98 GLY HAx 1.0 2.0 4.0 1621 1119 A 100 LYS H A 98 GLY HAy 1.0 2.0 4.0 1622 1120 A 100 LYS H A 99 ASN H 1.0 2.0 3.5 1623 1121 A 100 LYS H A 116 SER HBy 1.0 2.0 5.0 1624 1121 A 100 LYS H A 116 SER HBx 1.0 2.0 5.0 1625 1122 A 100 LYS H A 116 SER HBy 1.0 2.0 5.0 1626 1122 A 100 LYS H A 116 SER HBx 1.0 2.0 5.0 1627 1123 A 117 ASN H A 100 LYS HGx 1.0 2.0 5.0 1628 1123 A 117 ASN H A 100 LYS HGy 1.0 2.0 5.0 1629 1124 A 117 ASN H A 100 LYS HBy 1.0 2.0 5.0 1630 1124 A 117 ASN H A 100 LYS HBx 1.0 2.0 5.0 1631 1125 A 118 GLU H A 100 LYS HGx 1.0 3.7 5.7 1632 1125 A 100 LYS HGy A 118 GLU H 1.0 3.7 5.7 1633 1126 A 100 LYS H A 117 ASN H 1.0 3.0 5.0 1634 1127 A 117 ASN H A 100 LYS HBy 1.0 3.0 5.0 1635 1127 A 117 ASN H A 100 LYS HBx 1.0 3.0 5.0 1636 1128 A 117 ASN H A 100 LYS HGx 1.0 3.0 5.0 1637 1128 A 117 ASN H A 100 LYS HGy 1.0 3.0 5.0 1638 1129 A 118 GLU H A 100 LYS HBy 1.0 3.3 5.3 1639 1129 A 100 LYS HBx A 118 GLU H 1.0 3.3 5.3 1640 1130 A 119 CYS H A 100 LYS HBy 1.0 3.5 5.5 1641 1130 A 100 LYS HBx A 119 CYS H 1.0 3.5 5.5 1642 1131 A 102 CYS H A 100 LYS HBy 1.0 3.0 5.0 1643 1131 A 102 CYS H A 100 LYS HBx 1.0 3.0 5.0 1644 1132 A 102 CYS H A 100 LYS H 1.0 3.0 5.0 1645 1133 A 100 LYS H A 100 LYS HBy 1.0 2.0 4.5 1646 1133 A 100 LYS H A 100 LYS HBx 1.0 2.0 4.5 1647 1134 A 100 LYS H A 100 LYS HGx 1.0 1.5 3.0 1648 1134 A 100 LYS H A 100 LYS HGy 1.0 1.5 3.0 1649 1135 A 100 LYS H A 100 LYS HBy 1.0 2.0 4.0 1650 1135 A 100 LYS H A 100 LYS HBx 1.0 2.0 4.0 1651 1136 A 101 HIS H A 100 LYS HGx 1.0 3.0 5.0 1652 1136 A 100 LYS HGy A 101 HIS H 1.0 3.0 5.0 1653 1137 A 101 HIS H A 100 LYS HBy 1.0 1.5 3.5 1654 1137 A 100 LYS HBx A 101 HIS H 1.0 1.5 3.5 1655 1138 A 100 LYS H A 101 HIS H 1.0 3.2 4.7 1656 1139 A 119 CYS H A 101 HIS HBy 1.0 2.0 5.0 1657 1139 A 119 CYS H A 101 HIS HBx 1.0 2.0 5.0 1658 1140 A 117 ASN H A 101 HIS H 1.0 2.5 5.5 1659 1141 A 118 GLU H A 101 HIS H 1.0 2.5 5.5 1660 1142 A 101 HIS H A 118 GLU HGy 1.0 2.0 5.0 1661 1142 A 101 HIS H A 118 GLU HGx 1.0 2.0 5.0 1662 1143 A 101 HIS H A 118 GLU HBy 1.0 4.0 5.5 1663 1143 A 101 HIS H A 118 GLU HBx 1.0 4.0 5.5 1664 1144 A 119 CYS H A 101 HIS H 1.0 3.0 5.0 1665 1145 A 101 HIS H A 101 HIS HBy 1.0 2.0 4.5 1666 1145 A 101 HIS H A 101 HIS HBx 1.0 2.0 4.5 1667 1146 A 102 CYS H A 101 HIS H 1.0 1.5 3.0 1668 1147 A 101 HIS H A 101 HIS HBy 1.0 1.8 5.0 1669 1147 A 101 HIS H A 101 HIS HBx 1.0 1.8 5.0 1670 1148 A 102 CYS H A 101 HIS HBy 1.0 1.8 5.0 1671 1148 A 102 CYS H A 101 HIS HBx 1.0 1.8 5.0 1672 1149 A 101 HIS H A 102 CYS HBy 1.0 4.2 5.6 1673 1149 A 101 HIS H A 102 CYS HBx 1.0 4.2 5.6 1674 1150 A 103 ALA HB% A 102 CYS HA 1.0 2.8 4.8 1675 1151 A 102 CYS H A 117 ASN H 1.0 2.0 5.0 1676 1152 A 102 CYS H A 116 SER HA 1.0 2.5 5.5 1677 1153 A 102 CYS H A 118 GLU H 1.0 3.7 5.7 1678 1154 A 102 CYS HA A 103 ALA H 1.0 2.0 4.5 1679 1155 A 102 CYS H A 102 CYS HBy 1.0 2.0 4.0 1680 1155 A 102 CYS H A 102 CYS HBx 1.0 2.0 4.0 1681 1156 A 103 ALA H A 102 CYS HBy 1.0 2.0 4.0 1682 1156 A 103 ALA H A 102 CYS HBx 1.0 2.0 4.0 1683 1157 A 102 CYS H A 103 ALA HA 1.0 2.7 4.7 1684 1158 A 103 ALA HB% A 69 LEU HG 1.0 2.0 4.0 1685 1159 A 103 ALA HB% A 69 LEU HBy 1.0 2.2 4.2 1686 1159 A 103 ALA HB% A 69 LEU HBx 1.0 2.2 4.2 1687 1160 A 103 ALA HB% A 116 SER HA 1.0 2.0 4.0 1688 1161 A 103 ALA HB% A 99 ASN HA 1.0 3.0 4.5 1689 1162 A 103 ALA H A 70 HIS HA 1.0 2.0 4.0 1690 1163 A 117 ASN H A 103 ALA HA 1.0 3.0 5.0 1691 1164 A 103 ALA HB% A 115 SER H 1.0 3.4 5.4 1692 1165 A 115 SER H A 103 ALA HA 1.0 2.0 5.0 1693 1166 A 103 ALA H A 117 ASN H 1.0 3.2 5.2 1694 1167 A 103 ALA HB% A 117 ASN H 1.0 3.2 5.2 1695 1168 A 103 ALA HB% A 103 ALA H 1.0 2.0 4.5 1696 1169 A 103 ALA HB% A 104 GLU H 1.0 1.8 5.0 1697 1170 A 103 ALA H A 104 GLU H 1.0 1.8 5.0 1698 1171 A 104 GLU H A 104 GLU HGx 1.0 1.8 3.5 1699 1171 A 104 GLU H A 104 GLU HGy 1.0 1.8 3.5 1700 1172 A 104 GLU H A 104 GLU HBx 1.0 1.9 3.8 1701 1172 A 104 GLU HBy A 104 GLU H 1.0 1.9 3.8 1702 1173 A 103 ALA HB% A 104 GLU H 1.0 2.0 4.0 1703 1174 A 103 ALA H A 104 GLU H 1.0 2.5 4.5 1704 1175 A 103 ALA HA A 104 GLU H 1.0 2.0 4.0 1705 1176 A 104 GLU H A 105 MET H 1.0 2.5 4.5 1706 1177 A 105 MET H A 105 MET HA 1.0 2.8 5.0 1707 1178 A 104 GLU HA A 105 MET H 1.0 2.0 4.0 1708 1179 A 105 MET H A 106 SER H 1.0 2.5 4.5 1709 1180 A 104 GLU H A 105 MET H 1.0 2.5 4.5 1710 1181 A 105 MET H A 106 SER H 1.0 3.0 5.0 1711 1182 A 106 SER H A 105 MET HA 1.0 1.8 3.5 1712 1183 A 106 SER H A 105 MET HGx 1.0 2.8 5.5 1713 1183 A 105 MET HGy A 106 SER H 1.0 2.8 5.5 1714 1184 A 106 SER H A 107 SER H 1.0 2.8 5.5 1715 1185 A 106 SER H A 106 SER HBy 1.0 2.8 5.5 1716 1185 A 106 SER H A 106 SER HBx 1.0 2.8 5.5 1717 1186 A 106 SER H A 105 MET HBy 1.0 2.0 4.5 1718 1186 A 106 SER H A 105 MET HBx 1.0 2.0 4.5 1719 1187 A 107 SER H A 106 SER HA 1.0 2.0 4.5 1720 1188 A 107 SER H A 108 ASN HA 1.0 3.0 5.5 1721 1189 A 108 ASN HA A 109 ASN H 1.0 2.5 5.5 1722 1190 A 109 ASN H A 108 ASN HBy 1.0 2.5 5.5 1723 1190 A 109 ASN H A 108 ASN HBx 1.0 2.5 5.5 1724 1191 A 109 ASN H A 110 ASN HA 1.0 2.5 5.5 1725 1192 A 109 ASN H A 107 SER HA 1.0 2.0 5.0 1726 1193 A 110 ASN H A 111 PHE HDy 1.0 3.0 5.5 1727 1194 A 110 ASN H A 109 ASN HBx 1.0 2.5 4.5 1728 1194 A 110 ASN H A 109 ASN HBy 1.0 2.5 4.5 1729 1195 A 111 PHE H A 110 ASN HBy 1.0 2.5 4.0 1730 1195 A 111 PHE H A 110 ASN HBx 1.0 2.5 4.0 1731 1196 A 110 ASN HA A 111 PHE H 1.0 2.0 4.0 1732 1197 A 112 LEU H A 111 PHE HBy 1.0 2.5 5.0 1733 1197 A 112 LEU H A 111 PHE HBx 1.0 2.5 5.0 1734 1198 A 112 LEU H A 111 PHE HA 1.0 2.0 3.5 1735 1199 A 113 THR H A 113 THR HG2% 1.0 2.5 5.0 1736 1200 A 113 THR H A 112 LEU HA 1.0 2.5 5.0 1737 1201 A 113 THR H A 112 LEU HBy 1.0 2.5 5.0 1738 1201 A 113 THR H A 112 LEU HBx 1.0 2.5 5.0 1739 1202 A 114 TRP H A 113 THR HA 1.0 2.0 4.0 1740 1203 A 114 TRP H A 113 THR HB 1.0 2.5 5.0 1741 1204 A 105 MET HA A 114 TRP HA 1.0 2.4 4.1 1742 1205 A 115 SER H A 114 TRP HA 1.0 1.8 5.0 1743 1206 A 115 SER H A 114 TRP HBy 1.0 1.8 5.0 1744 1206 A 115 SER H A 114 TRP HBx 1.0 1.8 5.0 1745 1207 A 115 SER H A 114 TRP HA 1.0 2.0 3.5 1746 1208 A 115 SER H A 114 TRP HBy 1.0 2.5 4.0 1747 1208 A 115 SER H A 114 TRP HBx 1.0 2.5 4.0 1748 1209 A 103 ALA HB% A 115 SER H 1.0 2.9 5.4 1749 1210 A 115 SER H A 104 GLU HBx 1.0 3.8 5.3 1750 1210 A 104 GLU HBy A 115 SER H 1.0 3.8 5.3 1751 1211 A 115 SER H A 115 SER HBy 1.0 1.8 5.0 1752 1211 A 115 SER H A 115 SER HBx 1.0 1.8 5.0 1753 1212 A 115 SER HA A 116 SER H 1.0 1.8 5.0 1754 1213 A 116 SER H A 115 SER HBy 1.0 1.8 5.0 1755 1213 A 115 SER HBx A 116 SER H 1.0 1.8 5.0 1756 1214 A 116 SER H A 115 SER HBy 1.0 2.5 5.0 1757 1214 A 115 SER HBx A 116 SER H 1.0 2.5 5.0 1758 1215 A 117 ASN H A 116 SER HBy 1.0 1.8 5.0 1759 1215 A 116 SER HBx A 117 ASN H 1.0 1.8 5.0 1760 1216 A 117 ASN H A 116 SER H 1.0 1.8 5.0 1761 1217 A 100 LYS H A 117 ASN H 1.0 2.5 5.0 1762 1218 A 117 ASN H A 100 LYS HBy 1.0 2.0 5.0 1763 1218 A 117 ASN H A 100 LYS HBx 1.0 2.0 5.0 1764 1219 A 103 ALA HB% A 117 ASN H 1.0 2.7 5.2 1765 1220 A 117 ASN H A 117 ASN HBy 1.0 2.0 3.5 1766 1220 A 117 ASN H A 117 ASN HBx 1.0 2.0 3.5 1767 1221 A 102 CYS H A 117 ASN H 1.0 2.0 4.0 1768 1222 A 117 ASN H A 103 ALA HA 1.0 2.0 4.0 1769 1223 A 117 ASN H A 116 SER HA 1.0 2.0 3.5 1770 1224 A 117 ASN H A 116 SER HBy 1.0 2.0 4.0 1771 1224 A 116 SER HBx A 117 ASN H 1.0 2.0 4.0 1772 1225 A 117 ASN H A 116 SER H 1.0 2.5 5.0 1773 1226 A 117 ASN H A 118 GLU H 1.0 2.0 5.5 1774 1227 A 121 LYS H A 117 ASN HD2x 1.0 3.6 5.6 1775 1227 A 121 LYS H A 117 ASN HD2y 1.0 3.6 5.6 1776 1228 A 118 GLU H A 117 ASN HA 1.0 2.0 4.5 1777 1229 A 117 ASN H A 117 ASN HBy 1.0 1.8 5.0 1778 1229 A 117 ASN H A 117 ASN HBx 1.0 1.8 5.0 1779 1230 A 117 ASN H A 118 GLU H 1.0 1.8 5.0 1780 1231 A 118 GLU H A 117 ASN HD2x 1.0 1.8 5.0 1781 1231 A 118 GLU H A 117 ASN HD2y 1.0 1.8 5.0 1782 1232 A 118 GLU H A 119 CYS HA 1.0 3.7 5.7 1783 1233 A 118 GLU H A 117 ASN HA 1.0 2.0 3.5 1784 1234 A 120 ASN H A 118 GLU HBy 1.0 2.0 5.0 1785 1234 A 120 ASN H A 118 GLU HBx 1.0 2.0 5.0 1786 1235 A 121 LYS H A 118 GLU HBy 1.0 2.0 5.0 1787 1235 A 121 LYS H A 118 GLU HBx 1.0 2.0 5.0 1788 1236 A 120 ASN H A 118 GLU HGy 1.0 2.0 5.0 1789 1236 A 120 ASN H A 118 GLU HGx 1.0 2.0 5.0 1790 1237 A 120 ASN H A 118 GLU HA 1.0 3.0 5.0 1791 1238 A 120 ASN H A 118 GLU HBy 1.0 3.0 5.0 1792 1238 A 120 ASN H A 118 GLU HBx 1.0 3.0 5.0 1793 1239 A 120 ASN H A 118 GLU H 1.0 3.0 5.0 1794 1240 A 121 LYS H A 118 GLU H 1.0 3.5 5.5 1795 1241 A 118 GLU H A 118 GLU HBy 1.0 2.0 4.5 1796 1241 A 118 GLU H A 118 GLU HBx 1.0 2.0 4.5 1797 1242 A 119 CYS H A 118 GLU HA 1.0 2.0 4.5 1798 1243 A 119 CYS H A 118 GLU HGy 1.0 1.8 5.0 1799 1243 A 119 CYS H A 118 GLU HGx 1.0 1.8 5.0 1800 1244 A 119 CYS H A 118 GLU HBy 1.0 1.8 5.0 1801 1244 A 119 CYS H A 118 GLU HBx 1.0 1.8 5.0 1802 1245 A 118 GLU H A 119 CYS H 1.0 1.8 5.0 1803 1246 A 119 CYS H A 101 HIS H 1.0 2.2 4.2 1804 1247 A 102 CYS H A 119 CYS H 1.0 2.5 4.5 1805 1248 A 119 CYS H A 101 HIS HBy 1.0 2.0 5.0 1806 1248 A 119 CYS H A 101 HIS HBx 1.0 2.0 5.0 1807 1249 A 119 CYS H A 118 GLU HA 1.0 2.0 4.0 1808 1250 A 119 CYS H A 102 CYS HBy 1.0 2.5 5.5 1809 1250 A 119 CYS H A 102 CYS HBx 1.0 2.5 5.5 1810 1251 A 119 CYS H A 118 GLU HBy 1.0 2.0 4.0 1811 1251 A 119 CYS H A 118 GLU HBx 1.0 2.0 4.0 1812 1252 A 119 CYS H A 118 GLU HGy 1.0 2.0 4.0 1813 1252 A 119 CYS H A 118 GLU HGx 1.0 2.0 4.0 1814 1253 A 121 LYS H A 119 CYS H 1.0 2.0 5.0 1815 1254 A 119 CYS H A 119 CYS HBy 1.0 1.8 5.0 1816 1254 A 119 CYS H A 119 CYS HBx 1.0 1.8 5.0 1817 1255 A 120 ASN H A 119 CYS H 1.0 1.8 5.0 1818 1256 A 120 ASN H A 119 CYS HA 1.0 2.0 4.0 1819 1257 A 120 ASN H A 118 GLU HA 1.0 2.0 4.0 1820 1258 A 120 ASN H A 118 GLU H 1.0 3.0 5.0 1821 1259 A 120 ASN H A 119 CYS H 1.0 2.0 4.0 1822 1260 A 120 ASN H A 118 GLU HBy 1.0 2.5 5.0 1823 1260 A 120 ASN H A 118 GLU HBx 1.0 2.5 5.0 1824 1261 A 120 ASN H A 118 GLU HGy 1.0 2.1 4.6 1825 1261 A 120 ASN H A 118 GLU HGx 1.0 2.1 4.6 1826 1262 A 120 ASN H A 119 CYS HBy 1.0 2.2 4.2 1827 1262 A 120 ASN H A 119 CYS HBx 1.0 2.2 4.2 1828 1263 A 122 ARG H A 120 ASN HA 1.0 3.3 5.3 1829 1264 A 120 ASN H A 120 ASN HBy 1.0 2.0 4.5 1830 1264 A 120 ASN H A 120 ASN HBx 1.0 2.0 4.5 1831 1265 A 120 ASN H A 121 LYS H 1.0 2.0 4.5 1832 1266 A 121 LYS H A 120 ASN HBy 1.0 1.8 5.0 1833 1266 A 121 LYS H A 120 ASN HBx 1.0 1.8 5.0 1834 1267 A 120 ASN H A 121 LYS HBy 1.0 3.5 5.5 1835 1267 A 120 ASN H A 121 LYS HBx 1.0 3.5 5.5 1836 1268 A 121 LYS H A 120 ASN HA 1.0 2.0 4.0 1837 1269 A 121 LYS H A 23 ASN HBy 1.0 2.5 5.5 1838 1269 A 23 ASN HBx A 121 LYS H 1.0 2.5 5.5 1839 1270 A 121 LYS H A 121 LYS HBy 1.0 2.0 4.5 1840 1270 A 121 LYS H A 121 LYS HBx 1.0 2.0 4.5 1841 1271 A 121 LYS H A 122 ARG H 1.0 1.8 5.0 1842 1272 A 122 ARG H A 121 LYS HBy 1.0 1.8 5.0 1843 1272 A 122 ARG H A 121 LYS HBx 1.0 1.8 5.0 1844 1273 A 122 ARG HA A 122 ARG H 1.0 2.0 4.5 1845 1274 A 123 GLN H A 122 ARG HA 1.0 2.0 4.5 1846 1275 A 122 ARG H A 122 ARG HGy 1.0 1.8 5.0 1847 1275 A 122 ARG HGx A 122 ARG H 1.0 1.8 5.0 1848 1276 A 122 ARG H A 122 ARG HBy 1.0 1.8 5.0 1849 1276 A 122 ARG H A 122 ARG HBx 1.0 1.8 5.0 1850 1277 A 123 GLN H A 122 ARG HBy 1.0 1.8 5.0 1851 1277 A 123 GLN H A 122 ARG HBx 1.0 1.8 5.0 1852 1278 A 123 GLN H A 122 ARG H 1.0 1.8 5.0 1853 1279 A 123 GLN H A 122 ARG HBy 1.0 1.8 5.0 1854 1279 A 123 GLN H A 122 ARG HBx 1.0 1.8 5.0 1855 1280 A 123 GLN H A 22 ARG H 1.0 2.0 4.0 1856 1281 A 123 GLN H A 23 ASN H 1.0 2.0 5.0 1857 1282 A 123 GLN H A 22 ARG HA 1.0 2.0 5.0 1858 1283 A 123 GLN H A 23 ASN HA 1.0 2.0 5.0 1859 1284 A 123 GLN H A 122 ARG HDx 1.0 4.2 5.7 1860 1284 A 123 GLN H A 122 ARG HDy 1.0 4.2 5.7 1861 1285 A 124 HIS HA A 125 PHE H 1.0 2.0 4.5 1862 1286 A 125 PHE H A 124 HIS HBy 1.0 1.8 5.0 1863 1286 A 125 PHE H A 124 HIS HBx 1.0 1.8 5.0 1864 1287 A 125 PHE H A 124 HIS HBy 1.0 2.0 3.5 1865 1287 A 125 PHE H A 124 HIS HBx 1.0 2.0 3.5 1866 1288 A 124 HIS HA A 125 PHE H 1.0 2.0 3.5 1867 1289 A 66 TRP H A 125 PHE HA 1.0 2.0 3.5 1868 1290 A 126 LEU H A 125 PHE HBy 1.0 1.8 5.0 1869 1290 A 126 LEU H A 125 PHE HBx 1.0 1.8 5.0 1870 1291 A 126 LEU H A 125 PHE HA 1.0 1.8 5.0 1871 1292 A 125 PHE H A 126 LEU H 1.0 1.8 5.0 1872 1293 A 126 LEU H A 125 PHE HBy 1.0 1.5 3.5 1873 1293 A 126 LEU H A 125 PHE HBx 1.0 1.5 3.5 1874 1294 A 126 LEU H A 125 PHE HA 1.0 2.0 3.5 1875 1295 A 126 LEU H A 40 LEU HDy% 1.0 3.0 5.0 1876 1296 A 126 LEU H A 41 ALA H 1.0 3.8 5.3 1877 1297 A 56 ILE HD1% A 126 LEU HBy 1.0 2.5 5.5 1878 1297 A 126 LEU HBx A 56 ILE HD1% 1.0 2.5 5.5 1879 1298 A 126 LEU H A 126 LEU HBy 1.0 1.8 3.5 1880 1298 A 126 LEU H A 126 LEU HBx 1.0 1.8 3.5 1881 1299 A 127 CYS H A 126 LEU HA 1.0 1.8 5.0 1882 1300 A 127 CYS H A 126 LEU HDx% 1.0 1.8 5.0 1883 1300 A 126 LEU HDy% A 127 CYS H 1.0 1.8 5.0 1884 1301 A 126 LEU H A 126 LEU HDx% 1.0 1.8 5.0 1885 1301 A 126 LEU HDy% A 126 LEU H 1.0 1.8 5.0 1886 1302 A 127 CYS H A 126 LEU H 1.0 1.8 5.0 1887 1303 A 127 CYS H A 126 LEU HBy 1.0 1.8 5.0 1888 1303 A 127 CYS H A 126 LEU HBx 1.0 1.8 5.0 1889 1304 A 127 CYS H A 126 LEU HBy 1.0 2.2 4.2 1890 1304 A 127 CYS H A 126 LEU HBx 1.0 2.2 4.2 1891 1305 A 127 CYS H A 126 LEU HA 1.0 1.5 3.5 1892 1306 A 127 CYS H A 126 LEU H 1.0 2.5 4.5 1893 1307 A 127 CYS HA A 40 LEU HDy% 1.0 2.8 4.0 1894 1308 A 127 CYS HA A 40 LEU HA 1.0 1.5 3.0 1895 1309 A 128 LYS H A 127 CYS HA 1.0 2.0 4.5 1896 1310 A 127 CYS H A 127 CYS HBy 1.0 1.8 5.0 1897 1310 A 127 CYS H A 127 CYS HBx 1.0 1.8 5.0 1898 1311 A 128 LYS H A 127 CYS HBy 1.0 1.8 5.0 1899 1311 A 128 LYS H A 127 CYS HBx 1.0 1.8 5.0 1900 1312 A 128 LYS H A 127 CYS HBy 1.0 2.0 4.0 1901 1312 A 128 LYS H A 127 CYS HBx 1.0 2.0 4.0 1902 1313 A 128 LYS H A 127 CYS HA 1.0 1.5 3.5 1903 1314 A 130 ARG H A 128 LYS HGy 1.0 2.5 5.5 1904 1314 A 130 ARG H A 128 LYS HGx 1.0 2.5 5.5 1905 1315 A 128 LYS H A 128 LYS HBy 1.0 1.8 5.0 1906 1315 A 128 LYS H A 128 LYS HBx 1.0 1.8 5.0 1907 1316 A 129 TYR H A 128 LYS HA 1.0 1.8 5.0 1908 1317 A 129 TYR H A 128 LYS HGy 1.0 1.8 5.0 1909 1317 A 129 TYR H A 128 LYS HGx 1.0 1.8 5.0 1910 1318 A 128 LYS H A 128 LYS HGy 1.0 1.8 5.0 1911 1318 A 128 LYS H A 128 LYS HGx 1.0 1.8 5.0 1912 1319 A 129 TYR H A 128 LYS H 1.0 1.8 5.0 1913 1320 A 129 TYR H A 128 LYS HGy 1.0 1.8 5.0 1914 1320 A 129 TYR H A 128 LYS HGx 1.0 1.8 5.0 1915 1321 A 129 TYR H A 128 LYS HBy 1.0 1.8 5.0 1916 1321 A 129 TYR H A 128 LYS HBx 1.0 1.8 5.0 1917 1322 A 128 LYS H A 129 TYR HA 1.0 1.8 5.0 1918 1323 A 129 TYR H A 129 TYR HBy 1.0 1.8 5.0 1919 1323 A 129 TYR H A 129 TYR HBx 1.0 1.8 5.0 1920 1324 A 130 ARG H A 129 TYR HA 1.0 1.8 5.0 1921 1325 A 129 TYR H A 129 TYR HBy 1.0 1.8 4.0 1922 1325 A 129 TYR H A 129 TYR HBx 1.0 1.8 4.0 1923 1326 A 130 ARG H A 129 TYR HBy 1.0 1.8 5.0 1924 1326 A 129 TYR HBx A 130 ARG H 1.0 1.8 5.0 stop_ save_ save_CNS/XPLOR_distance_constraints_4 _nef_distance_restraint_list.sf_category nef_distance_restraint_list _nef_distance_restraint_list.sf_framecode CNS/XPLOR_distance_constraints_4 _nef_distance_restraint_list.restraint_origin hbond _nef_distance_restraint_list.potential_type square-well-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 16 GLY H A 127 CYS O 1.0 1.8 2.60 2 2 A 127 CYS O A 16 GLY N 1.0 2.8 3.60 3 3 A 18 PHE H A 125 PHE O 1.0 1.8 2.70 4 4 A 125 PHE O A 18 PHE N 1.0 2.8 3.60 5 5 A 22 ARG H A 123 GLN O 1.0 1.8 2.50 6 6 A 123 GLN O A 22 ARG N 1.0 2.8 3.60 7 7 A 27 ALA H A 23 ASN O 1.0 1.8 2.50 8 8 A 23 ASN O A 27 ALA N 1.0 2.0 2.80 9 9 A 28 GLU H A 24 TRP O 1.0 1.8 2.50 10 10 A 24 TRP O A 28 GLU N 1.0 2.8 3.60 11 11 A 29 LEU H A 25 SER O 1.0 1.8 2.50 12 12 A 25 SER O A 29 LEU N 1.0 2.8 3.60 13 13 A 30 GLU H A 26 ASP O 1.0 1.8 2.50 14 14 A 26 ASP O A 30 GLU N 1.0 2.8 3.60 15 15 A 32 GLN H A 28 GLU O 1.0 1.8 2.50 16 16 A 28 GLU O A 32 GLN N 1.0 2.6 3.60 17 17 A 33 SER H A 31 CYS O 1.0 1.8 2.50 18 18 A 37 GLY H A 35 GLY O 1.0 1.8 2.50 19 19 A 35 GLY O A 37 GLY N 1.0 2.8 3.60 20 20 A 39 HIS H A 128 LYS O 1.0 1.8 2.50 21 21 A 128 LYS O A 39 HIS N 1.0 2.8 3.60 22 22 A 49 ALA N A 46 LEU O 1.0 2.8 3.60 23 23 A 51 THR H A 47 LYS O 1.0 1.8 2.70 24 24 A 47 LYS O A 51 THR N 1.0 2.8 3.60 25 25 A 52 ILE H A 48 GLU O 1.0 1.8 2.70 26 26 A 48 GLU O A 52 ILE N 1.0 2.8 3.60 27 27 A 53 ALA H A 49 ALA O 1.0 1.8 2.50 28 28 A 49 ALA O A 53 ALA N 1.0 2.8 3.60 29 29 A 54 GLU H A 50 SER O 1.0 1.8 2.50 30 30 A 50 SER O A 54 GLU N 1.0 2.8 3.60 31 31 A 55 TYR H A 51 THR O 1.0 1.8 2.65 32 32 A 51 THR O A 55 TYR N 1.0 2.8 3.60 33 33 A 56 ILE H A 52 ILE O 1.0 1.8 2.50 34 34 A 52 ILE O A 56 ILE N 1.0 2.8 3.60 35 35 A 66 TRP H A 124 HIS O 1.0 1.8 2.90 36 36 A 124 HIS O A 66 TRP N 1.0 2.8 3.60 37 37 A 69 LEU H A 67 ILE O 1.0 1.8 2.50 38 38 A 67 ILE O A 69 LEU N 1.0 2.8 3.60 39 39 A 83 GLY H A 80 TRP O 1.0 1.8 2.50 40 40 A 80 TRP O A 83 GLY N 1.0 2.8 3.60 41 41 A 102 CYS N A 99 ASN O 1.0 2.8 3.60 42 42 A 104 GLU H A 115 SER O 1.0 1.8 2.50 43 43 A 115 SER O A 104 GLU N 1.0 2.8 3.60 44 44 A 117 ASN H A 102 CYS O 1.0 1.8 2.50 45 45 A 102 CYS O A 117 ASN N 1.0 2.8 3.60 46 46 A 121 LYS H A 118 GLU O 1.0 1.8 2.50 47 47 A 118 GLU O A 121 LYS N 1.0 2.8 3.60 48 48 A 123 GLN H A 22 ARG O 1.0 1.8 2.50 49 49 A 22 ARG O A 123 GLN N 1.0 2.8 3.60 50 50 A 125 PHE N A 18 PHE O 1.0 2.8 3.60 51 51 A 126 LEU H A 66 TRP O 1.0 1.8 2.70 52 52 A 66 TRP O A 126 LEU N 1.0 2.8 3.80 53 53 A 127 CYS H A 16 GLY O 1.0 1.8 2.50 54 54 A 16 GLY O A 127 CYS N 1.0 2.8 3.60 55 55 A 128 LYS H A 39 HIS O 1.0 1.8 2.50 56 56 A 39 HIS O A 128 LYS N 1.0 2.6 3.60 57 57 A 129 TYR N A 14 CYS O 1.0 2.8 3.60 58 58 A 16 GLY H A 127 CYS O 1.0 1.8 2.60 59 59 A 127 CYS O A 16 GLY N 1.0 2.8 3.60 60 60 A 18 PHE H A 125 PHE O 1.0 1.8 2.70 61 61 A 125 PHE O A 18 PHE N 1.0 2.8 3.60 62 62 A 22 ARG H A 123 GLN O 1.0 1.8 2.50 63 63 A 123 GLN O A 22 ARG N 1.0 2.8 3.60 64 64 A 27 ALA H A 23 ASN O 1.0 1.8 2.50 65 65 A 23 ASN O A 27 ALA N 1.0 2.0 2.80 66 66 A 28 GLU H A 24 TRP O 1.0 1.8 2.50 67 67 A 24 TRP O A 28 GLU N 1.0 2.8 3.60 68 68 A 29 LEU H A 25 SER O 1.0 1.8 2.50 69 69 A 25 SER O A 29 LEU N 1.0 2.8 3.60 70 70 A 30 GLU H A 26 ASP O 1.0 1.8 2.50 71 71 A 26 ASP O A 30 GLU N 1.0 2.8 3.60 72 72 A 32 GLN H A 28 GLU O 1.0 1.8 2.50 73 73 A 28 GLU O A 32 GLN N 1.0 2.6 3.60 74 74 A 33 SER H A 31 CYS O 1.0 1.8 2.50 75 75 A 37 GLY H A 35 GLY O 1.0 1.8 2.50 76 76 A 35 GLY O A 37 GLY N 1.0 2.8 3.60 77 77 A 39 HIS H A 128 LYS O 1.0 1.8 2.50 78 78 A 128 LYS O A 39 HIS N 1.0 2.8 3.60 79 79 A 49 ALA N A 46 LEU O 1.0 2.8 3.60 80 80 A 51 THR H A 47 LYS O 1.0 1.8 2.70 81 81 A 47 LYS O A 51 THR N 1.0 2.8 3.60 82 82 A 52 ILE H A 48 GLU O 1.0 1.8 2.70 83 83 A 48 GLU O A 52 ILE N 1.0 2.8 3.60 84 84 A 53 ALA H A 49 ALA O 1.0 1.8 2.50 85 85 A 49 ALA O A 53 ALA N 1.0 2.8 3.60 86 86 A 54 GLU H A 50 SER O 1.0 1.8 2.50 87 87 A 50 SER O A 54 GLU N 1.0 2.8 3.60 88 88 A 55 TYR H A 51 THR O 1.0 1.8 2.65 89 89 A 51 THR O A 55 TYR N 1.0 2.8 3.60 90 90 A 56 ILE H A 52 ILE O 1.0 1.8 2.50 91 91 A 52 ILE O A 56 ILE N 1.0 2.8 3.60 92 92 A 66 TRP H A 124 HIS O 1.0 1.8 2.90 93 93 A 124 HIS O A 66 TRP N 1.0 2.8 3.60 94 94 A 69 LEU H A 67 ILE O 1.0 1.8 2.50 95 95 A 67 ILE O A 69 LEU N 1.0 2.8 3.60 96 96 A 83 GLY H A 80 TRP O 1.0 1.8 2.50 97 97 A 80 TRP O A 83 GLY N 1.0 2.8 3.60 98 98 A 102 CYS N A 99 ASN O 1.0 2.8 3.60 99 99 A 104 GLU H A 115 SER O 1.0 1.8 2.50 100 100 A 115 SER O A 104 GLU N 1.0 2.8 3.60 101 101 A 117 ASN H A 102 CYS O 1.0 1.8 2.50 102 102 A 102 CYS O A 117 ASN N 1.0 2.8 3.60 103 103 A 121 LYS H A 118 GLU O 1.0 1.8 2.50 104 104 A 118 GLU O A 121 LYS N 1.0 2.8 3.60 105 105 A 123 GLN H A 22 ARG O 1.0 1.8 2.50 106 106 A 22 ARG O A 123 GLN N 1.0 2.8 3.60 107 107 A 125 PHE N A 18 PHE O 1.0 2.8 3.60 108 108 A 126 LEU H A 66 TRP O 1.0 1.8 2.70 109 109 A 66 TRP O A 126 LEU N 1.0 2.8 3.80 110 110 A 127 CYS H A 16 GLY O 1.0 1.8 2.50 111 111 A 16 GLY O A 127 CYS N 1.0 2.8 3.60 112 112 A 128 LYS H A 39 HIS O 1.0 1.8 2.50 113 113 A 39 HIS O A 128 LYS N 1.0 2.6 3.60 114 114 A 129 TYR N A 14 CYS O 1.0 2.8 3.60 stop_ save_ save_CNS/XPLOR_dihedral_3 _nef_dihedral_restraint_list.sf_category nef_dihedral_restraint_list _nef_dihedral_restraint_list.sf_framecode CNS/XPLOR_dihedral_3 _nef_dihedral_restraint_list.potential_type square-well-parabolic _nef_dihedral_restraint_list.restraint_origin . loop_ _nef_dihedral_restraint.index _nef_dihedral_restraint.restraint_id _nef_dihedral_restraint.chain_code_1 _nef_dihedral_restraint.sequence_code_1 _nef_dihedral_restraint.residue_name_1 _nef_dihedral_restraint.atom_name_1 _nef_dihedral_restraint.chain_code_2 _nef_dihedral_restraint.sequence_code_2 _nef_dihedral_restraint.residue_name_2 _nef_dihedral_restraint.atom_name_2 _nef_dihedral_restraint.chain_code_3 _nef_dihedral_restraint.sequence_code_3 _nef_dihedral_restraint.residue_name_3 _nef_dihedral_restraint.atom_name_3 _nef_dihedral_restraint.chain_code_4 _nef_dihedral_restraint.sequence_code_4 _nef_dihedral_restraint.residue_name_4 _nef_dihedral_restraint.atom_name_4 _nef_dihedral_restraint.weight _nef_dihedral_restraint.lower_limit _nef_dihedral_restraint.upper_limit _nef_dihedral_restraint.name 1 1 A 5 PRO C A 6 GLY N A 6 GLY CA A 6 GLY C 1.0 78.71 256.65 PHI 2 2 A 6 GLY N A 6 GLY CA A 6 GLY C A 7 TRP N 1.0 -107.49 90.49 PSI 3 3 A 6 GLY C A 7 TRP N A 7 TRP CA A 7 TRP C 1.0 -100.30 -76.30 PHI 4 4 A 7 TRP N A 7 TRP CA A 7 TRP C A 8 PHE N 1.0 93.00 144.60 PSI 5 5 A 7 TRP C A 8 PHE N A 8 PHE CA A 8 PHE C 1.0 -138.50 -85.90 PHI 6 6 A 8 PHE N A 8 PHE CA A 8 PHE C A 9 TYR N 1.0 117.60 140.60 PSI 7 7 A 8 PHE C A 9 TYR N A 9 TYR CA A 9 TYR C 1.0 -116.30 -86.30 PHI 8 8 A 9 TYR N A 9 TYR CA A 9 TYR C A 10 HIS N 1.0 106.00 138.40 PSI 9 9 A 9 TYR C A 10 HIS N A 10 HIS CA A 10 HIS C 1.0 -119.80 -69.00 PHI 10 10 A 10 HIS N A 10 HIS CA A 10 HIS C A 11 LYS N 1.0 111.60 139.20 PSI 11 11 A 10 HIS C A 11 LYS N A 11 LYS CA A 11 LYS C 1.0 47.10 54.10 PHI 12 12 A 11 LYS N A 11 LYS CA A 11 LYS C A 12 SER N 1.0 34.80 58.80 PSI 13 13 A 11 LYS C A 12 SER N A 12 SER CA A 12 SER C 1.0 57.44 68.64 PHI 14 14 A 12 SER N A 12 SER CA A 12 SER C A 13 ASN N 1.0 6.81 30.81 PSI 15 15 A 12 SER C A 13 ASN N A 13 ASN CA A 13 ASN C 1.0 -146.57 -82.57 PHI 16 16 A 13 ASN N A 13 ASN CA A 13 ASN C A 14 CYS N 1.0 141.28 167.28 PSI 17 17 A 13 ASN C A 14 CYS N A 14 CYS CA A 14 CYS C 1.0 -140.80 -106.80 PHI 18 18 A 14 CYS N A 14 CYS CA A 14 CYS C A 15 TYR N 1.0 125.30 157.30 PSI 19 19 A 14 CYS C A 15 TYR N A 15 TYR CA A 15 TYR C 1.0 -142.80 -92.80 PHI 20 20 A 15 TYR N A 15 TYR CA A 15 TYR C A 16 GLY N 1.0 125.90 151.90 PSI 21 21 A 15 TYR C A 16 GLY N A 16 GLY CA A 16 GLY C 1.0 -157.50 -45.50 PHI 22 22 A 16 GLY N A 16 GLY CA A 16 GLY C A 17 TYR N 1.0 102.70 167.70 PSI 23 23 A 16 GLY C A 17 TYR N A 17 TYR CA A 17 TYR C 1.0 -129.80 -69.80 PHI 24 24 A 17 TYR N A 17 TYR CA A 17 TYR C A 18 PHE N 1.0 77.40 149.40 PSI 25 25 A 18 PHE C A 19 ARG N A 19 ARG CA A 19 ARG C 1.0 -113.00 -88.00 PHI 26 26 A 19 ARG N A 19 ARG CA A 19 ARG C A 20 LYS N 1.0 60.70 100.70 PSI 27 27 A 19 ARG C A 20 LYS N A 20 LYS CA A 20 LYS C 1.0 -160.50 -120.50 PHI 28 28 A 20 LYS N A 20 LYS CA A 20 LYS C A 21 LEU N 1.0 132.20 178.20 PSI 29 29 A 20 LYS C A 21 LEU N A 21 LEU CA A 21 LEU C 1.0 -93.90 -69.70 PHI 30 30 A 21 LEU N A 21 LEU CA A 21 LEU C A 22 ARG N 1.0 107.20 165.20 PSI 31 31 A 21 LEU C A 22 ARG N A 22 ARG CA A 22 ARG C 1.0 -143.60 -93.40 PHI 32 32 A 22 ARG N A 22 ARG CA A 22 ARG C A 23 ASN N 1.0 121.60 166.40 PSI 33 33 A 23 ASN C A 24 TRP N A 24 TRP CA A 24 TRP C 1.0 -68.70 -43.70 PHI 34 34 A 24 TRP N A 24 TRP CA A 24 TRP C A 25 SER N 1.0 -62.80 -31.00 PSI 35 35 A 24 TRP C A 25 SER N A 25 SER CA A 25 SER C 1.0 -75.00 -45.00 PHI 36 36 A 25 SER N A 25 SER CA A 25 SER C A 26 ASP N 1.0 -52.90 -29.10 PSI 37 37 A 25 SER C A 26 ASP N A 26 ASP CA A 26 ASP C 1.0 -79.40 -55.60 PHI 38 38 A 26 ASP N A 26 ASP CA A 26 ASP C A 27 ALA N 1.0 -49.70 -23.90 PSI 39 39 A 26 ASP C A 27 ALA N A 27 ALA CA A 27 ALA C 1.0 -72.20 -49.80 PHI 40 40 A 27 ALA N A 27 ALA CA A 27 ALA C A 28 GLU N 1.0 -51.80 -35.80 PSI 41 41 A 27 ALA C A 28 GLU N A 28 GLU CA A 28 GLU C 1.0 -65.70 -54.70 PHI 42 42 A 28 GLU N A 28 GLU CA A 28 GLU C A 29 LEU N 1.0 -49.80 -28.00 PSI 43 43 A 28 GLU C A 29 LEU N A 29 LEU CA A 29 LEU C 1.0 -67.50 -55.90 PHI 44 44 A 29 LEU N A 29 LEU CA A 29 LEU C A 30 GLU N 1.0 -51.80 -34.20 PSI 45 45 A 29 LEU C A 30 GLU N A 30 GLU CA A 30 GLU C 1.0 -67.00 -57.00 PHI 46 46 A 30 GLU N A 30 GLU CA A 30 GLU C A 31 CYS N 1.0 -43.00 -19.60 PSI 47 47 A 31 CYS C A 32 GLN N A 32 GLN CA A 32 GLN C 1.0 -67.40 -51.00 PHI 48 48 A 32 GLN N A 32 GLN CA A 32 GLN C A 33 SER N 1.0 -57.20 -13.20 PSI 49 49 A 32 GLN C A 33 SER N A 33 SER CA A 33 SER C 1.0 -72.90 -57.50 PHI 50 50 A 33 SER N A 33 SER CA A 33 SER C A 34 TYR N 1.0 -40.30 -25.50 PSI 51 51 A 33 SER C A 34 TYR N A 34 TYR CA A 34 TYR C 1.0 -96.00 -74.20 PHI 52 52 A 34 TYR N A 34 TYR CA A 34 TYR C A 35 GLY N 1.0 -10.50 7.50 PSI 53 53 A 36 ASN C A 37 GLY N A 37 GLY CA A 37 GLY C 1.0 70.20 96.60 PHI 54 54 A 37 GLY N A 37 GLY CA A 37 GLY C A 38 ALA N 1.0 -7.00 31.20 PSI 55 55 A 37 GLY C A 38 ALA N A 38 ALA CA A 38 ALA C 1.0 -113.20 -64.20 PHI 56 56 A 38 ALA N A 38 ALA CA A 38 ALA C A 39 HIS N 1.0 130.90 164.10 PSI 57 57 A 38 ALA C A 39 HIS N A 39 HIS CA A 39 HIS C 1.0 -157.40 -107.40 PHI 58 58 A 39 HIS N A 39 HIS CA A 39 HIS C A 40 LEU N 1.0 154.80 174.80 PSI 59 59 A 39 HIS C A 40 LEU N A 40 LEU CA A 40 LEU C 1.0 -97.40 -63.40 PHI 60 60 A 40 LEU N A 40 LEU CA A 40 LEU C A 41 ALA N 1.0 105.30 155.30 PSI 61 61 A 41 ALA C A 42 SER N A 42 SER CA A 42 SER C 1.0 -148.00 -58.00 PHI 62 62 A 42 SER N A 42 SER CA A 42 SER C A 43 ILE N 1.0 120.00 186.00 PSI 63 63 A 42 SER C A 43 ILE N A 43 ILE CA A 43 ILE C 1.0 -149.20 -118.80 PHI 64 64 A 43 ILE N A 43 ILE CA A 43 ILE C A 44 LEU N 1.0 117.50 172.50 PSI 65 65 A 43 ILE C A 44 LEU N A 44 LEU CA A 44 LEU C 1.0 -106.50 -76.50 PHI 66 66 A 44 LEU N A 44 LEU CA A 44 LEU C A 45 SER N 1.0 -26.80 6.20 PSI 67 67 A 45 SER C A 46 LEU N A 46 LEU CA A 46 LEU C 1.0 -71.10 -48.90 PHI 68 68 A 46 LEU N A 46 LEU CA A 46 LEU C A 47 LYS N 1.0 -52.20 -23.20 PSI 69 69 A 46 LEU C A 47 LYS N A 47 LYS CA A 47 LYS C 1.0 -72.20 -56.20 PHI 70 70 A 47 LYS N A 47 LYS CA A 47 LYS C A 48 GLU N 1.0 -41.50 -31.10 PSI 71 71 A 47 LYS C A 48 GLU N A 48 GLU CA A 48 GLU C 1.0 -70.80 -59.00 PHI 72 72 A 48 GLU N A 48 GLU CA A 48 GLU C A 49 ALA N 1.0 -50.60 -39.00 PSI 73 73 A 48 GLU C A 49 ALA N A 49 ALA CA A 49 ALA C 1.0 -69.80 -57.40 PHI 74 74 A 49 ALA N A 49 ALA CA A 49 ALA C A 50 SER N 1.0 -44.30 -34.30 PSI 75 75 A 49 ALA C A 50 SER N A 50 SER CA A 50 SER C 1.0 -73.90 -61.70 PHI 76 76 A 50 SER N A 50 SER CA A 50 SER C A 51 THR N 1.0 -48.40 -28.40 PSI 77 77 A 50 SER C A 51 THR N A 51 THR CA A 51 THR C 1.0 -78.50 -60.50 PHI 78 78 A 51 THR N A 51 THR CA A 51 THR C A 52 ILE N 1.0 -48.20 -33.40 PSI 79 79 A 51 THR C A 52 ILE N A 52 ILE CA A 52 ILE C 1.0 -73.30 -60.50 PHI 80 80 A 52 ILE N A 52 ILE CA A 52 ILE C A 53 ALA N 1.0 -48.60 -34.60 PSI 81 81 A 52 ILE C A 53 ALA N A 53 ALA CA A 53 ALA C 1.0 -72.50 -56.50 PHI 82 82 A 53 ALA N A 53 ALA CA A 53 ALA C A 54 GLU N 1.0 -62.50 -10.50 PSI 83 83 A 53 ALA C A 54 GLU N A 54 GLU CA A 54 GLU C 1.0 -75.00 -59.00 PHI 84 84 A 54 GLU N A 54 GLU CA A 54 GLU C A 55 TYR N 1.0 -55.50 -12.50 PSI 85 85 A 54 GLU C A 55 TYR N A 55 TYR CA A 55 TYR C 1.0 -90.00 -70.00 PHI 86 86 A 55 TYR N A 55 TYR CA A 55 TYR C A 56 ILE N 1.0 -58.00 -38.00 PSI 87 87 A 55 TYR C A 56 ILE N A 56 ILE CA A 56 ILE C 1.0 -80.20 -48.20 PHI 88 88 A 56 ILE N A 56 ILE CA A 56 ILE C A 57 SER N 1.0 -66.50 5.50 PSI 89 89 A 56 ILE C A 57 SER N A 57 SER CA A 57 SER C 1.0 -50.28 -40.28 PHI 90 90 A 57 SER N A 57 SER CA A 57 SER C A 58 GLY N 1.0 -54.70 -6.70 PSI 91 91 A 57 SER C A 58 GLY N A 58 GLY CA A 58 GLY C 1.0 65.60 95.60 PHI 92 92 A 58 GLY N A 58 GLY CA A 58 GLY C A 59 TYR N 1.0 -11.20 16.60 PSI 93 93 A 58 GLY C A 59 TYR N A 59 TYR CA A 59 TYR C 1.0 -99.20 -51.20 PHI 94 94 A 59 TYR N A 59 TYR CA A 59 TYR C A 60 GLN N 1.0 -36.20 -6.20 PSI 95 95 A 59 TYR C A 60 GLN N A 60 GLN CA A 60 GLN C 1.0 -106.25 -72.25 PHI 96 96 A 60 GLN N A 60 GLN CA A 60 GLN C A 61 ARG N 1.0 -21.70 11.70 PSI 97 97 A 61 ARG C A 62 SER N A 62 SER CA A 62 SER C 1.0 -102.90 -59.50 PHI 98 98 A 62 SER N A 62 SER CA A 62 SER C A 63 GLN N 1.0 113.39 179.39 PSI 99 99 A 62 SER C A 63 GLN N A 63 GLN CA A 63 GLN C 1.0 -105.18 -55.18 PHI 100 100 A 63 GLN N A 63 GLN CA A 63 GLN C A 64 SER N 1.0 123.24 163.24 PSI 101 101 A 64 SER C A 65 ILE N A 65 ILE CA A 65 ILE C 1.0 -149.20 -107.20 PHI 102 102 A 65 ILE N A 65 ILE CA A 65 ILE C A 66 TRP N 1.0 130.00 169.60 PSI 103 103 A 65 ILE C A 66 TRP N A 66 TRP CA A 66 TRP C 1.0 -135.91 -77.01 PHI 104 104 A 66 TRP N A 66 TRP CA A 66 TRP C A 67 ILE N 1.0 128.13 166.61 PSI 105 105 A 66 TRP C A 67 ILE N A 67 ILE CA A 67 ILE C 1.0 -138.10 -112.50 PHI 106 106 A 67 ILE N A 67 ILE CA A 67 ILE C A 68 GLY N 1.0 140.30 184.30 PSI 107 107 A 67 ILE C A 68 GLY N A 68 GLY CA A 68 GLY C 1.0 -115.00 -85.00 PHI 108 108 A 68 GLY N A 68 GLY CA A 68 GLY C A 69 LEU N 1.0 62.00 92.00 PSI 109 109 A 68 GLY C A 69 LEU N A 69 LEU CA A 69 LEU C 1.0 -124.90 -84.90 PHI 110 110 A 69 LEU N A 69 LEU CA A 69 LEU C A 70 HIS N 1.0 100.80 151.00 PSI 111 111 A 69 LEU C A 70 HIS N A 70 HIS CA A 70 HIS C 1.0 -150.40 -94.40 PHI 112 112 A 70 HIS N A 70 HIS CA A 70 HIS C A 71 ASP N 1.0 123.10 170.30 PSI 113 113 A 70 HIS C A 71 ASP N A 71 ASP CA A 71 ASP C 1.0 -123.10 -72.90 PHI 114 114 A 71 ASP N A 71 ASP CA A 71 ASP C A 72 PRO N 1.0 90.00 167.00 PSI 115 115 A 71 ASP C A 72 PRO N A 72 PRO CA A 72 PRO C 1.0 -70.30 -44.30 PHI 116 116 A 73 GLN N A 73 GLN CA A 73 GLN C A 74 LYS N 1.0 -13.80 44.20 PSI 117 117 A 73 GLN C A 74 LYS N A 74 LYS CA A 74 LYS C 1.0 40.60 77.00 PHI 118 118 A 74 LYS N A 74 LYS CA A 74 LYS C A 75 ARG N 1.0 28.20 49.40 PSI 119 119 A 76 GLN C A 77 GLN N A 77 GLN CA A 77 GLN C 1.0 -139.60 -75.60 PHI 120 120 A 77 GLN N A 77 GLN CA A 77 GLN C A 78 TRP N 1.0 88.50 158.50 PSI 121 121 A 77 GLN C A 78 TRP N A 78 TRP CA A 78 TRP C 1.0 -101.26 -71.26 PHI 122 122 A 78 TRP N A 78 TRP CA A 78 TRP C A 79 GLN N 1.0 101.27 161.27 PSI 123 123 A 78 TRP C A 79 GLN N A 79 GLN CA A 79 GLN C 1.0 -139.10 -90.70 PHI 124 124 A 79 GLN N A 79 GLN CA A 79 GLN C A 80 TRP N 1.0 129.70 163.70 PSI 125 125 A 79 GLN C A 80 TRP N A 80 TRP CA A 80 TRP C 1.0 -118.50 -73.70 PHI 126 126 A 80 TRP N A 80 TRP CA A 80 TRP C A 81 ILE N 1.0 129.70 178.10 PSI 127 127 A 80 TRP C A 81 ILE N A 81 ILE CA A 81 ILE C 1.0 -80.00 -40.00 PHI 128 128 A 81 ILE N A 81 ILE CA A 81 ILE C A 82 ASP N 1.0 -104.00 -56.00 PSI 129 129 A 83 GLY N A 83 GLY CA A 83 GLY C A 84 ALA N 1.0 -16.50 13.50 PSI 130 130 A 84 ALA C A 85 MET N A 85 MET CA A 85 MET C 1.0 -119.26 -59.26 PHI 131 131 A 85 MET N A 85 MET CA A 85 MET C A 86 TYR N 1.0 108.73 158.73 PSI 132 132 A 85 MET C A 86 TYR N A 86 TYR CA A 86 TYR C 1.0 -134.30 -64.30 PHI 133 133 A 86 TYR N A 86 TYR CA A 86 TYR C A 87 LEU N 1.0 90.80 130.80 PSI 134 134 A 86 TYR C A 87 LEU N A 87 LEU CA A 87 LEU C 1.0 -136.20 -92.20 PHI 135 135 A 87 LEU N A 87 LEU CA A 87 LEU C A 88 TYR N 1.0 93.20 149.20 PSI 136 136 A 88 TYR C A 89 ARG N A 89 ARG CA A 89 ARG C 1.0 -148.21 -84.21 PHI 137 137 A 89 ARG N A 89 ARG CA A 89 ARG C A 90 SER N 1.0 124.51 174.51 PSI 138 138 A 89 ARG C A 90 SER N A 90 SER CA A 90 SER C 1.0 -123.10 -53.10 PHI 139 139 A 90 SER N A 90 SER CA A 90 SER C A 91 TRP N 1.0 112.50 152.50 PSI 140 140 A 90 SER C A 91 TRP N A 91 TRP CA A 91 TRP C 1.0 -152.27 -73.61 PHI 141 141 A 91 TRP N A 91 TRP CA A 91 TRP C A 92 SER N 1.0 103.25 173.25 PSI 142 142 A 91 TRP C A 92 SER N A 92 SER CA A 92 SER C 1.0 -165.50 -134.50 PHI 143 143 A 92 SER N A 92 SER CA A 92 SER C A 93 GLY N 1.0 111.40 155.40 PSI 144 144 A 92 SER C A 93 GLY N A 93 GLY CA A 93 GLY C 1.0 88.60 95.00 PHI 145 145 A 93 GLY N A 93 GLY CA A 93 GLY C A 94 LYS N 1.0 -16.30 17.70 PSI 146 146 A 93 GLY C A 94 LYS N A 94 LYS CA A 94 LYS C 1.0 -153.00 -103.00 PHI 147 147 A 94 LYS N A 94 LYS CA A 94 LYS C A 95 SER N 1.0 112.00 178.00 PSI 148 148 A 94 LYS C A 95 SER N A 95 SER CA A 95 SER C 1.0 -144.00 -70.00 PHI 149 149 A 95 SER N A 95 SER CA A 95 SER C A 96 MET N 1.0 115.00 179.00 PSI 150 150 A 96 MET C A 97 GLY N A 97 GLY CA A 97 GLY C 1.0 80.00 120.00 PHI 151 151 A 97 GLY N A 97 GLY CA A 97 GLY C A 98 GLY N 1.0 -60.00 -40.00 PSI 152 152 A 101 HIS C A 102 CYS N A 102 CYS CA A 102 CYS C 1.0 -162.35 -102.35 PHI 153 153 A 102 CYS N A 102 CYS CA A 102 CYS C A 103 ALA N 1.0 136.30 167.14 PSI 154 154 A 102 CYS C A 103 ALA N A 103 ALA CA A 103 ALA C 1.0 -137.80 -103.80 PHI 155 155 A 103 ALA N A 103 ALA CA A 103 ALA C A 104 GLU N 1.0 122.60 162.60 PSI 156 156 A 103 ALA C A 104 GLU N A 104 GLU CA A 104 GLU C 1.0 -152.10 -112.10 PHI 157 157 A 104 GLU N A 104 GLU CA A 104 GLU C A 105 MET N 1.0 139.60 175.60 PSI 158 158 A 104 GLU C A 105 MET N A 105 MET CA A 105 MET C 1.0 -147.40 -87.40 PHI 159 159 A 105 MET N A 105 MET CA A 105 MET C A 106 SER N 1.0 119.40 153.40 PSI 160 160 A 105 MET C A 106 SER N A 106 SER CA A 106 SER C 1.0 -115.80 -75.60 PHI 161 161 A 106 SER N A 106 SER CA A 106 SER C A 107 SER N 1.0 91.60 132.20 PSI 162 162 A 106 SER C A 107 SER N A 107 SER CA A 107 SER C 1.0 -68.00 -44.00 PHI 163 163 A 107 SER N A 107 SER CA A 107 SER C A 108 ASN N 1.0 -54.00 -6.00 PSI 164 164 A 107 SER C A 108 ASN N A 108 ASN CA A 108 ASN C 1.0 -76.00 -54.00 PHI 165 165 A 108 ASN N A 108 ASN CA A 108 ASN C A 109 ASN N 1.0 -33.80 16.20 PSI 166 166 A 108 ASN C A 109 ASN N A 109 ASN CA A 109 ASN C 1.0 -100.00 -42.00 PHI 167 167 A 109 ASN N A 109 ASN CA A 109 ASN C A 110 ASN N 1.0 93.00 177.00 PSI 168 168 A 109 ASN C A 110 ASN N A 110 ASN CA A 110 ASN C 1.0 -78.00 -42.00 PHI 169 169 A 110 ASN N A 110 ASN CA A 110 ASN C A 111 PHE N 1.0 -33.00 -3.00 PSI 170 170 A 110 ASN C A 111 PHE N A 111 PHE CA A 111 PHE C 1.0 -107.00 -83.00 PHI 171 171 A 111 PHE N A 111 PHE CA A 111 PHE C A 112 LEU N 1.0 -3.00 31.00 PSI 172 172 A 111 PHE C A 112 LEU N A 112 LEU CA A 112 LEU C 1.0 48.62 79.62 PHI 173 173 A 112 LEU N A 112 LEU CA A 112 LEU C A 113 THR N 1.0 22.70 50.70 PSI 174 174 A 112 LEU C A 113 THR N A 113 THR CA A 113 THR C 1.0 -154.00 -70.00 PHI 175 175 A 113 THR N A 113 THR CA A 113 THR C A 114 TRP N 1.0 136.70 188.70 PSI 176 176 A 113 THR C A 114 TRP N A 114 TRP CA A 114 TRP C 1.0 -123.97 -87.39 PHI 177 177 A 114 TRP N A 114 TRP CA A 114 TRP C A 115 SER N 1.0 138.02 163.70 PSI 178 178 A 114 TRP C A 115 SER N A 115 SER CA A 115 SER C 1.0 -148.00 -103.20 PHI 179 179 A 115 SER N A 115 SER CA A 115 SER C A 116 SER N 1.0 124.70 154.70 PSI 180 180 A 115 SER C A 116 SER N A 116 SER CA A 116 SER C 1.0 -131.40 -85.60 PHI 181 181 A 116 SER N A 116 SER CA A 116 SER C A 117 ASN N 1.0 124.10 154.10 PSI 182 182 A 116 SER C A 117 ASN N A 117 ASN CA A 117 ASN C 1.0 -151.10 -107.90 PHI 183 183 A 117 ASN N A 117 ASN CA A 117 ASN C A 118 GLU N 1.0 125.30 159.70 PSI 184 184 A 117 ASN C A 118 GLU N A 118 GLU CA A 118 GLU C 1.0 -101.80 -59.00 PHI 185 185 A 118 GLU N A 118 GLU CA A 118 GLU C A 119 CYS N 1.0 116.60 160.20 PSI 186 186 A 121 LYS C A 122 ARG N A 122 ARG CA A 122 ARG C 1.0 -152.31 -66.31 PHI 187 187 A 122 ARG N A 122 ARG CA A 122 ARG C A 123 GLN N 1.0 87.42 148.22 PSI 188 188 A 122 ARG C A 123 GLN N A 123 GLN CA A 123 GLN C 1.0 -146.55 -70.55 PHI 189 189 A 124 HIS N A 124 HIS CA A 124 HIS C A 125 PHE N 1.0 143.50 167.70 PSI 190 190 A 124 HIS C A 125 PHE N A 125 PHE CA A 125 PHE C 1.0 -159.90 -135.30 PHI 191 191 A 125 PHE N A 125 PHE CA A 125 PHE C A 126 LEU N 1.0 136.20 169.20 PSI 192 192 A 125 PHE C A 126 LEU N A 126 LEU CA A 126 LEU C 1.0 -132.70 -108.50 PHI 193 193 A 126 LEU N A 126 LEU CA A 126 LEU C A 127 CYS N 1.0 128.80 150.40 PSI 194 194 A 126 LEU C A 127 CYS N A 127 CYS CA A 127 CYS C 1.0 -138.50 -114.50 PHI 195 195 A 127 CYS N A 127 CYS CA A 127 CYS C A 128 LYS N 1.0 128.90 157.90 PSI 196 196 A 127 CYS C A 128 LYS N A 128 LYS CA A 128 LYS C 1.0 -153.50 -119.50 PHI 197 197 A 128 LYS N A 128 LYS CA A 128 LYS C A 129 TYR N 1.0 122.70 150.70 PSI 198 198 A 128 LYS C A 129 TYR N A 129 TYR CA A 129 TYR C 1.0 -165.70 -133.70 PHI 199 199 A 129 TYR N A 129 TYR CA A 129 TYR C A 130 ARG N 1.0 137.10 164.10 PSI 200 200 A 129 TYR C A 130 ARG N A 130 ARG CA A 130 ARG C 1.0 -131.56 -93.84 PHI 201 201 A 130 ARG N A 130 ARG CA A 130 ARG C A 131 PRO N 1.0 110.55 144.55 PSI stop_ save_ save_spectral_peak_list_p63s _nef_nmr_spectrum.sf_category nef_nmr_spectrum _nef_nmr_spectrum.sf_framecode spectral_peak_list_p63s _nef_nmr_spectrum.num_dimensions 2 loop_ _nef_spectrum_dimension.dimension_id _nef_spectrum_dimension.axis_code _nef_spectrum_dimension.spectral_width 2 15N 6132.234 stop_ save_