data_nef_c18668_2lx9 save_entry_information _nef_nmr_meta_data.sf_category nef_nmr_meta_data _nef_nmr_meta_data.sf_framecode entry_information _nef_nmr_meta_data.format_name nmr_exchange_format _nef_nmr_meta_data.format_version 1.1 save_ save_assembly _nef_molecular_system.sf_category nef_molecular_system _nef_molecular_system.sf_framecode assembly loop_ _nef_sequence.index _nef_sequence.chain_code _nef_sequence.sequence_code _nef_sequence.residue_name _nef_sequence.linking _nef_sequence.residue_variant _nef_sequence.cis_peptide 1 A 1 MET start . . 2 A 2 GLN middle . . 3 A 3 TYR middle . . 4 A 4 THR middle . . 5 A 5 PRO middle . false 6 A 6 ASP middle . . 7 A 7 THR middle . . 8 A 8 ALA middle . . 9 A 9 TRP middle . . 10 A 10 LYS middle . . 11 A 11 ILE middle . . 12 A 12 THR middle . . 13 A 13 GLY middle . false 14 A 14 PHE middle . . 15 A 15 SER middle . . 16 A 16 ARG middle . . 17 A 17 GLU middle . . 18 A 18 ILE middle . . 19 A 19 SER middle . . 20 A 20 PRO middle . false 21 A 21 ALA middle . . 22 A 22 TYR middle . . 23 A 23 ARG middle . . 24 A 24 GLN middle . . 25 A 25 LYS middle . . 26 A 26 LEU middle . . 27 A 27 LEU middle . . 28 A 28 SER middle . . 29 A 29 LEU middle . . 30 A 30 GLY middle . false 31 A 31 MET middle . . 32 A 32 LEU middle . . 33 A 33 PRO middle . false 34 A 34 GLY middle . false 35 A 35 SER middle . . 36 A 36 SER middle . . 37 A 37 PHE middle . . 38 A 38 ASN middle . . 39 A 39 VAL middle . . 40 A 40 VAL middle . . 41 A 41 ARG middle . . 42 A 42 VAL middle . . 43 A 43 ALA middle . . 44 A 44 PRO middle . false 45 A 45 LEU middle . . 46 A 46 GLY middle . false 47 A 47 ASP middle . . 48 A 48 PRO middle . false 49 A 49 ILE middle . . 50 A 50 HIS middle . . 51 A 51 ILE middle . . 52 A 52 GLU middle . . 53 A 53 THR middle . . 54 A 54 ARG middle . . 55 A 55 ARG middle . . 56 A 56 VAL middle . . 57 A 57 SER middle . . 58 A 58 LEU middle . . 59 A 59 VAL middle . . 60 A 60 LEU middle . . 61 A 61 ARG middle . . 62 A 62 LYS middle . . 63 A 63 LYS middle . . 64 A 64 ASP middle . . 65 A 65 LEU middle . . 66 A 66 ALA middle . . 67 A 67 LEU middle . . 68 A 68 LEU middle . . 69 A 69 GLU middle . . 70 A 70 VAL middle . . 71 A 71 GLU middle . . 72 A 72 ALA middle . . 73 A 73 VAL middle . . 74 A 74 SER middle . . 75 A 75 SER middle . . 76 A 76 LEU middle . . 77 A 77 GLU middle . . 78 A 78 HIS middle . . 79 A 79 HIS middle . . 80 A 80 HIS middle . . 81 A 81 HIS middle . . 82 A 82 HIS middle . . 83 A 83 HIS end . . stop_ save_ save_assigned_chem_shift_list_1 _nef_chemical_shift_list.sf_category nef_chemical_shift_list _nef_chemical_shift_list.sf_framecode assigned_chem_shift_list_1 loop_ _nef_chemical_shift.chain_code _nef_chemical_shift.sequence_code _nef_chemical_shift.residue_name _nef_chemical_shift.atom_name _nef_chemical_shift.element _nef_chemical_shift.isotope_number _nef_chemical_shift.value _nef_chemical_shift.value_uncertainty A 2 GLN C C 13 174.8670 0.70 A 2 GLN CA C 13 54.9012 0.70 A 2 GLN CB C 13 29.5605 0.70 A 3 TYR H H 1 8.3277 0.05 A 3 TYR C C 13 174.4983 0.70 A 3 TYR CA C 13 59.4034 0.70 A 3 TYR CB C 13 38.3163 0.70 A 3 TYR N N 15 122.9422 0.50 A 4 THR H H 1 7.4337 0.05 A 4 THR C C 13 171.5740 0.70 A 4 THR CA C 13 58.9379 0.70 A 4 THR CB C 13 69.7448 0.70 A 4 THR N N 15 113.5175 0.50 A 5 PRO C C 13 175.1915 0.70 A 5 PRO CA C 13 64.1226 0.70 A 5 PRO CB C 13 31.9755 0.70 A 6 ASP H H 1 8.7683 0.05 A 6 ASP C C 13 175.5021 0.70 A 6 ASP CA C 13 55.8262 0.70 A 6 ASP CB C 13 39.0064 0.70 A 6 ASP N N 15 116.0113 0.50 A 7 THR H H 1 7.4642 0.05 A 7 THR C C 13 171.9814 0.70 A 7 THR CA C 13 60.1199 0.70 A 7 THR CB C 13 72.1482 0.70 A 7 THR N N 15 124.4034 0.50 A 8 ALA H H 1 7.9270 0.05 A 8 ALA C C 13 175.9591 0.70 A 8 ALA CA C 13 50.6821 0.70 A 8 ALA CB C 13 21.9060 0.70 A 8 ALA N N 15 124.1999 0.50 A 9 TRP H H 1 8.3681 0.05 A 9 TRP C C 13 173.4734 0.70 A 9 TRP CA C 13 55.9067 0.70 A 9 TRP CB C 13 32.9446 0.70 A 9 TRP N N 15 120.0433 0.50 A 10 LYS H H 1 9.3966 0.05 A 10 LYS C C 13 176.1819 0.70 A 10 LYS CA C 13 54.3476 0.70 A 10 LYS CB C 13 34.9766 0.70 A 10 LYS N N 15 122.7609 0.50 A 11 ILE H H 1 8.9394 0.05 A 11 ILE C C 13 177.1475 0.70 A 11 ILE CA C 13 62.1421 0.70 A 11 ILE CB C 13 38.1689 0.70 A 11 ILE N N 15 125.5791 0.50 A 12 THR H H 1 9.6961 0.05 A 12 THR C C 13 175.3401 0.70 A 12 THR CA C 13 61.9736 0.70 A 12 THR CB C 13 68.6726 0.70 A 12 THR N N 15 121.7040 0.50 A 13 GLY H H 1 7.7003 0.05 A 13 GLY C C 13 169.5712 0.70 A 13 GLY CA C 13 45.3241 0.70 A 13 GLY N N 15 109.8988 0.50 A 14 PHE H H 1 8.5201 0.05 A 14 PHE C C 13 175.5382 0.70 A 14 PHE CA C 13 55.4852 0.70 A 14 PHE CB C 13 42.2136 0.70 A 14 PHE N N 15 116.9269 0.50 A 15 SER H H 1 8.7620 0.05 A 15 SER C C 13 176.6523 0.70 A 15 SER CA C 13 58.0969 0.70 A 15 SER CB C 13 64.2362 0.70 A 15 SER N N 15 116.0097 0.50 A 16 ARG H H 1 8.9455 0.05 A 16 ARG C C 13 177.1773 0.70 A 16 ARG CA C 13 58.1464 0.70 A 16 ARG CB C 13 29.7846 0.70 A 16 ARG N N 15 125.9755 0.50 A 17 GLU H H 1 8.3844 0.05 A 17 GLU C C 13 176.5584 0.70 A 17 GLU CA C 13 56.0544 0.70 A 17 GLU CB C 13 29.4712 0.70 A 17 GLU N N 15 116.6265 0.50 A 18 ILE H H 1 7.4828 0.05 A 18 ILE C C 13 173.8788 0.70 A 18 ILE CA C 13 62.1337 0.70 A 18 ILE CB C 13 39.0905 0.70 A 18 ILE N N 15 121.0746 0.50 A 19 SER H H 1 8.3842 0.05 A 19 SER C C 13 173.8050 0.70 A 19 SER CA C 13 56.4149 0.70 A 19 SER CB C 13 63.9839 0.70 A 19 SER N N 15 123.7750 0.50 A 20 PRO C C 13 179.4501 0.70 A 20 PRO CA C 13 65.9342 0.70 A 20 PRO CB C 13 31.6262 0.70 A 21 ALA H H 1 8.2627 0.05 A 21 ALA C C 13 180.7128 0.70 A 21 ALA CA C 13 55.0387 0.70 A 21 ALA CB C 13 18.3505 0.70 A 21 ALA N N 15 118.2520 0.50 A 22 TYR H H 1 7.9333 0.05 A 22 TYR C C 13 177.6179 0.70 A 22 TYR CA C 13 60.4990 0.70 A 22 TYR CB C 13 37.8320 0.70 A 22 TYR N N 15 121.2835 0.50 A 23 ARG H H 1 8.3690 0.05 A 23 ARG C C 13 177.3992 0.70 A 23 ARG CA C 13 59.9554 0.70 A 23 ARG CB C 13 29.8982 0.70 A 23 ARG N N 15 120.2491 0.50 A 24 GLN H H 1 7.8885 0.05 A 24 GLN C C 13 178.5578 0.70 A 24 GLN CA C 13 58.7697 0.70 A 24 GLN CB C 13 27.6530 0.70 A 24 GLN N N 15 115.6458 0.50 A 25 LYS H H 1 7.6874 0.05 A 25 LYS C C 13 179.2768 0.70 A 25 LYS CA C 13 59.5332 0.70 A 25 LYS CB C 13 31.7826 0.70 A 25 LYS N N 15 121.2307 0.50 A 26 LEU H H 1 8.1454 0.05 A 26 LEU C C 13 179.7720 0.70 A 26 LEU CA C 13 58.5186 0.70 A 26 LEU CB C 13 40.5283 0.70 A 26 LEU N N 15 119.6246 0.50 A 27 LEU H H 1 8.4666 0.05 A 27 LEU C C 13 181.7775 0.70 A 27 LEU CA C 13 58.7110 0.70 A 27 LEU CB C 13 41.3710 0.70 A 27 LEU N N 15 120.2223 0.50 A 28 SER H H 1 8.3039 0.05 A 28 SER C C 13 175.5836 0.70 A 28 SER CA C 13 61.8474 0.70 A 28 SER CB C 13 63.0268 0.70 A 28 SER N N 15 117.3933 0.50 A 29 LEU H H 1 7.4493 0.05 A 29 LEU C C 13 176.6401 0.70 A 29 LEU CA C 13 55.3216 0.70 A 29 LEU CB C 13 42.9591 0.70 A 29 LEU N N 15 121.0887 0.50 A 30 GLY H H 1 7.8340 0.05 A 30 GLY C C 13 175.2658 0.70 A 30 GLY CA C 13 45.3734 0.70 A 30 GLY N N 15 104.9446 0.50 A 31 MET H H 1 7.9795 0.05 A 31 MET C C 13 172.2452 0.70 A 31 MET CA C 13 53.2943 0.70 A 31 MET CB C 13 29.8360 0.70 A 31 MET N N 15 122.8029 0.50 A 32 LEU H H 1 6.9687 0.05 A 32 LEU C C 13 175.6867 0.70 A 32 LEU CA C 13 52.4438 0.70 A 32 LEU CB C 13 42.8839 0.70 A 32 LEU N N 15 117.4849 0.50 A 33 PRO C C 13 176.7006 0.70 A 33 PRO CA C 13 64.1316 0.70 A 33 PRO CB C 13 30.5010 0.70 A 34 GLY H H 1 9.4423 0.05 A 34 GLY C C 13 174.3627 0.70 A 34 GLY CA C 13 45.1750 0.70 A 34 GLY N N 15 114.6098 0.50 A 35 SER H H 1 8.4712 0.05 A 35 SER C C 13 172.0224 0.70 A 35 SER CA C 13 58.7734 0.70 A 35 SER CB C 13 65.1901 0.70 A 35 SER N N 15 118.2776 0.50 A 36 SER H H 1 8.5301 0.05 A 36 SER C C 13 174.1715 0.70 A 36 SER CA C 13 57.0003 0.70 A 36 SER CB C 13 66.8787 0.70 A 36 SER N N 15 113.6598 0.50 A 37 PHE H H 1 9.2313 0.05 A 37 PHE C C 13 171.9672 0.70 A 37 PHE CA C 13 55.9103 0.70 A 37 PHE CB C 13 42.7068 0.70 A 37 PHE N N 15 117.8038 0.50 A 38 ASN H H 1 9.1506 0.05 A 38 ASN C C 13 175.7115 0.70 A 38 ASN CA C 13 51.4279 0.70 A 38 ASN CB C 13 41.4652 0.70 A 38 ASN N N 15 117.0778 0.50 A 39 VAL H H 1 9.2776 0.05 A 39 VAL C C 13 175.9096 0.70 A 39 VAL CA C 13 63.2644 0.70 A 39 VAL CB C 13 31.5024 0.70 A 39 VAL N N 15 123.7347 0.50 A 40 VAL H H 1 9.1766 0.05 A 40 VAL C C 13 176.2631 0.70 A 40 VAL CA C 13 63.7009 0.70 A 40 VAL CB C 13 32.9867 0.70 A 40 VAL N N 15 127.2189 0.50 A 41 ARG H H 1 7.8237 0.05 A 41 ARG C C 13 172.7156 0.70 A 41 ARG CA C 13 55.6539 0.70 A 41 ARG CB C 13 33.2815 0.70 A 41 ARG N N 15 116.5638 0.50 A 42 VAL H H 1 8.8244 0.05 A 42 VAL C C 13 174.8944 0.70 A 42 VAL CA C 13 61.6365 0.70 A 42 VAL CB C 13 34.3349 0.70 A 42 VAL N N 15 122.8026 0.50 A 43 ALA H H 1 7.8934 0.05 A 43 ALA C C 13 176.0746 0.70 A 43 ALA CA C 13 52.3479 0.70 A 43 ALA CB C 13 17.2443 0.70 A 43 ALA N N 15 129.5381 0.50 A 44 PRO C C 13 177.9893 0.70 A 44 PRO CA C 13 66.1704 0.70 A 44 PRO CB C 13 31.7739 0.70 A 45 LEU H H 1 8.4515 0.05 A 45 LEU C C 13 178.2417 0.70 A 45 LEU CA C 13 55.5650 0.70 A 45 LEU CB C 13 40.7897 0.70 A 45 LEU N N 15 114.7989 0.50 A 46 GLY H H 1 8.6282 0.05 A 46 GLY C C 13 171.7515 0.70 A 46 GLY CA C 13 45.7343 0.70 A 46 GLY N N 15 108.0553 0.50 A 47 ASP H H 1 6.7647 0.05 A 47 ASP C C 13 174.4735 0.70 A 47 ASP CA C 13 51.8551 0.70 A 47 ASP CB C 13 45.3979 0.70 A 47 ASP N N 15 117.3358 0.50 A 48 PRO C C 13 173.7555 0.70 A 48 PRO CA C 13 63.9539 0.70 A 48 PRO CB C 13 35.5145 0.70 A 49 ILE H H 1 8.9101 0.05 A 49 ILE C C 13 173.8928 0.70 A 49 ILE CA C 13 61.6893 0.70 A 49 ILE CB C 13 40.4864 0.70 A 49 ILE N N 15 117.1891 0.50 A 50 HIS H H 1 9.0809 0.05 A 50 HIS C C 13 175.6867 0.70 A 50 HIS CA C 13 55.3117 0.70 A 50 HIS CB C 13 31.1646 0.70 A 50 HIS N N 15 126.9806 0.50 A 51 ILE H H 1 9.2917 0.05 A 51 ILE C C 13 174.9934 0.70 A 51 ILE CA C 13 58.9422 0.70 A 51 ILE CB C 13 42.3939 0.70 A 51 ILE N N 15 119.2748 0.50 A 52 GLU H H 1 9.2973 0.05 A 52 GLU C C 13 176.1076 0.70 A 52 GLU CA C 13 55.2746 0.70 A 52 GLU CB C 13 33.4761 0.70 A 52 GLU N N 15 121.5746 0.50 A 53 THR H H 1 9.0531 0.05 A 53 THR C C 13 173.7802 0.70 A 53 THR CA C 13 59.6145 0.70 A 53 THR CB C 13 70.6780 0.70 A 53 THR N N 15 117.7660 0.50 A 54 ARG H H 1 9.1817 0.05 A 54 ARG C C 13 176.1527 0.70 A 54 ARG CA C 13 58.1823 0.70 A 54 ARG CB C 13 29.0539 0.70 A 54 ARG N N 15 121.9112 0.50 A 55 ARG H H 1 8.5343 0.05 A 55 ARG C C 13 175.8305 0.70 A 55 ARG CA C 13 57.3380 0.70 A 55 ARG CB C 13 30.9958 0.70 A 55 ARG N N 15 112.0030 0.50 A 56 VAL H H 1 8.0806 0.05 A 56 VAL C C 13 174.3007 0.70 A 56 VAL CA C 13 61.3837 0.70 A 56 VAL CB C 13 35.0511 0.70 A 56 VAL N N 15 118.1296 0.50 A 57 SER H H 1 8.3346 0.05 A 57 SER C C 13 173.6093 0.70 A 57 SER CA C 13 57.5918 0.70 A 57 SER CB C 13 64.2957 0.70 A 57 SER N N 15 119.4754 0.50 A 58 LEU H H 1 8.8224 0.05 A 58 LEU C C 13 174.3002 0.70 A 58 LEU CA C 13 54.2986 0.70 A 58 LEU CB C 13 46.5753 0.70 A 58 LEU N N 15 124.5517 0.50 A 59 VAL H H 1 8.1566 0.05 A 59 VAL C C 13 175.3754 0.70 A 59 VAL CA C 13 61.8814 0.70 A 59 VAL CB C 13 32.0090 0.70 A 59 VAL N N 15 121.7783 0.50 A 60 LEU H H 1 8.9386 0.05 A 60 LEU C C 13 175.3201 0.70 A 60 LEU CA C 13 52.7987 0.70 A 60 LEU CB C 13 45.7343 0.70 A 60 LEU N N 15 127.6844 0.50 A 61 ARG H H 1 8.8697 0.05 A 61 ARG C C 13 178.9054 0.70 A 61 ARG CA C 13 53.9262 0.70 A 61 ARG CB C 13 29.8689 0.70 A 61 ARG N N 15 118.1542 0.50 A 62 LYS H H 1 9.7763 0.05 A 62 LYS C C 13 179.3758 0.70 A 62 LYS CA C 13 61.0530 0.70 A 62 LYS CB C 13 32.0262 0.70 A 62 LYS N N 15 126.1913 0.50 A 63 LYS H H 1 8.6165 0.05 A 63 LYS C C 13 177.2218 0.70 A 63 LYS CA C 13 58.6889 0.70 A 63 LYS CB C 13 31.9245 0.70 A 63 LYS N N 15 115.8541 0.50 A 64 ASP H H 1 7.1508 0.05 A 64 ASP C C 13 177.9374 0.70 A 64 ASP CA C 13 56.9131 0.70 A 64 ASP CB C 13 41.3671 0.70 A 64 ASP N N 15 118.6859 0.50 A 65 LEU H H 1 7.5662 0.05 A 65 LEU C C 13 179.3758 0.70 A 65 LEU CA C 13 57.2127 0.70 A 65 LEU CB C 13 41.4132 0.70 A 65 LEU N N 15 118.6406 0.50 A 66 ALA H H 1 7.8692 0.05 A 66 ALA C C 13 177.8160 0.70 A 66 ALA CA C 13 53.6707 0.70 A 66 ALA CB C 13 18.1885 0.70 A 66 ALA N N 15 119.7244 0.50 A 67 LEU H H 1 7.2932 0.05 A 67 LEU C C 13 175.8393 0.70 A 67 LEU CA C 13 55.3167 0.70 A 67 LEU CB C 13 41.9188 0.70 A 67 LEU N N 15 116.6522 0.50 A 68 LEU H H 1 7.6110 0.05 A 68 LEU C C 13 176.2314 0.70 A 68 LEU CA C 13 54.1790 0.70 A 68 LEU CB C 13 43.4596 0.70 A 68 LEU N N 15 118.5724 0.50 A 69 GLU H H 1 8.3214 0.05 A 69 GLU C C 13 176.0829 0.70 A 69 GLU CA C 13 55.2376 0.70 A 69 GLU CB C 13 29.4191 0.70 A 69 GLU N N 15 122.7639 0.50 A 70 VAL H H 1 8.3711 0.05 A 70 VAL C C 13 175.8105 0.70 A 70 VAL CA C 13 58.9422 0.70 A 70 VAL CB C 13 37.8729 0.70 A 70 VAL N N 15 115.1267 0.50 A 71 GLU H H 1 9.1933 0.05 A 71 GLU C C 13 174.8201 0.70 A 71 GLU CA C 13 54.4674 0.70 A 71 GLU CB C 13 33.9508 0.70 A 71 GLU N N 15 119.9561 0.50 A 72 ALA H H 1 8.9137 0.05 A 72 ALA C C 13 177.9652 0.70 A 72 ALA CA C 13 53.2010 0.70 A 72 ALA CB C 13 18.5001 0.70 A 72 ALA N N 15 127.5184 0.50 A 73 VAL H H 1 7.4333 0.05 A 73 VAL C C 13 175.3401 0.70 A 73 VAL CA C 13 61.3907 0.70 A 73 VAL CB C 13 33.5287 0.70 A 73 VAL N N 15 120.1583 0.50 A 74 SER H H 1 8.3484 0.05 A 74 SER C C 13 174.3745 0.70 A 74 SER CA C 13 58.6856 0.70 A 74 SER CB C 13 63.9839 0.70 A 74 SER N N 15 119.0584 0.50 A 75 SER CA C 13 58.4341 0.70 A 75 SER CB C 13 63.7852 0.70 A 76 LEU H H 1 8.2271 0.05 A 76 LEU C C 13 177.5436 0.70 A 76 LEU CA C 13 55.6580 0.70 A 76 LEU CB C 13 42.2022 0.70 A 76 LEU N N 15 123.5779 0.50 A 77 GLU H H 1 8.1418 0.05 A 77 GLU C C 13 176.3984 0.70 A 77 GLU CA C 13 56.9151 0.70 A 77 GLU CB C 13 29.9237 0.70 A 77 GLU N N 15 120.3606 0.50 stop_ save_ save_CNS/XPLOR_distance_constraints_3 _nef_distance_restraint_list.sf_category nef_distance_restraint_list _nef_distance_restraint_list.sf_framecode CNS/XPLOR_distance_constraints_3 _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 2 GLN HA A 4 THR HG21 1.0 0.0 4.54 2 2 A 2 GLN HA A 2 GLN HGy 1.0 0.0 3.66 3 3 A 4 THR HG21 A 3 TYR HBx 1.0 0.0 5.50 4 4 A 4 THR HG21 A 3 TYR HBy 1.0 0.0 5.50 5 5 A 5 PRO HDy A 42 VAL HG11 1.0 0.0 4.64 6 6 A 4 THR HB A 5 PRO HDx 1.0 0.0 3.81 7 7 A 20 PRO HA A 23 ARG HBx 1.0 0.0 5.50 8 8 A 11 ILE HG21 A 33 PRO HA 1.0 0.0 4.31 9 9 A 11 ILE HG21 A 33 PRO HBx 1.0 0.0 3.97 10 10 A 11 ILE HG21 A 33 PRO HBy 1.0 0.0 3.97 11 11 A 20 PRO HA A 23 ARG HBy 1.0 0.0 3.56 12 12 A 26 LEU HD11 A 33 PRO HDy 1.0 0.0 4.44 13 13 A 32 LEU HBy A 33 PRO HDx 1.0 0.0 4.71 14 14 A 32 LEU HBy A 33 PRO HDy 1.0 0.0 4.71 15 15 A 43 ALA HA A 44 PRO HDx 1.0 0.0 3.95 16 16 A 43 ALA HB1 A 44 PRO HDx 1.0 0.0 4.25 17 17 A 47 ASP HA A 48 PRO HA 1.0 0.0 4.40 18 18 A 48 PRO HA A 61 ARG HA 1.0 0.0 4.25 19 19 A 48 PRO HA A 49 ILE HG1x 1.0 0.0 4.79 20 20 A 48 PRO HBx A 49 ILE HA 1.0 0.0 4.41 21 21 A 7 THR HA A 7 THR HG21 1.0 0.0 3.52 22 22 A 7 THR HG21 A 39 VAL HB 1.0 0.0 5.50 23 23 A 8 ALA HA A 9 TRP HD1 1.0 0.0 4.86 24 24 A 9 TRP HA A 72 ALA HA 1.0 0.0 4.03 25 25 A 9 TRP HA A 70 VAL HG11 1.0 0.0 5.50 26 26 A 9 TRP HA A 72 ALA HB1 1.0 0.0 5.50 27 27 A 9 TRP HA A 37 PHE HE% 1.0 0.0 5.29 28 28 A 70 VAL HG21 A 71 GLU HA 1.0 0.0 4.09 29 29 A 27 LEU HD11 A 27 LEU HBx 1.0 0.0 3.72 30 30 A 27 LEU HA A 27 LEU HD11 1.0 0.0 4.25 31 31 A 26 LEU HA A 32 LEU HD11 1.0 0.0 5.39 32 32 A 26 LEU HA A 32 LEU HD21 1.0 0.0 5.39 33 33 A 49 ILE HG1x A 49 ILE HG21 1.0 0.0 3.87 34 34 A 49 ILE HG21 A 49 ILE HG1y 1.0 0.0 3.89 35 35 A 49 ILE HG1x A 48 PRO HBx 1.0 0.0 4.43 36 36 A 49 ILE HG1x A 49 ILE HA 1.0 0.0 3.94 37 37 A 49 ILE HG1x A 60 LEU HA 1.0 0.0 5.50 38 38 A 33 PRO HA A 11 ILE HB 1.0 0.0 5.27 39 39 A 11 ILE HG21 A 12 THR HA 1.0 0.0 4.56 40 40 A 12 THR HA A 12 THR HG21 1.0 0.0 3.63 41 41 A 14 PHE HA A 68 LEU HA 1.0 0.0 4.02 42 42 A 14 PHE HA A 14 PHE HD% 1.0 0.0 4.20 43 43 A 25 LYS HA A 25 LYS HEx 1.0 0.0 5.50 44 44 A 25 LYS HA A 25 LYS HEy 1.0 0.0 5.50 45 45 A 18 ILE HB A 15 SER HBy 1.0 0.0 5.50 46 46 A 18 ILE HB A 15 SER HBx 1.0 0.0 5.50 47 47 A 16 ARG HA A 18 ILE HG21 1.0 0.0 5.50 48 48 A 17 GLU HBy A 18 ILE HA 1.0 0.0 4.51 49 49 A 37 PHE HA A 53 THR HG21 1.0 0.0 4.59 50 50 A 53 THR HG21 A 52 GLU HA 1.0 0.0 5.08 51 51 A 37 PHE HA A 11 ILE HD11 1.0 0.0 5.37 52 52 A 52 GLU HA A 57 SER HA 1.0 0.0 3.14 53 53 A 53 THR HG21 A 52 GLU HBx 1.0 0.0 5.50 54 54 A 53 THR HG21 A 52 GLU HBy 1.0 0.0 5.50 55 55 A 40 VAL HG11 A 52 GLU HGx 1.0 0.0 4.73 56 56 A 40 VAL HG11 A 52 GLU HGy 1.0 0.0 4.73 57 57 A 69 GLU HA A 69 GLU HGx 1.0 0.0 3.96 58 58 A 69 GLU HA A 69 GLU HGy 1.0 0.0 3.96 59 59 A 48 PRO HBx A 60 LEU HA 1.0 0.0 5.15 60 60 A 18 ILE HA A 18 ILE HG1y 1.0 0.0 3.51 61 61 A 18 ILE HG21 A 18 ILE HA 1.0 0.0 3.67 62 62 A 18 ILE HA A 18 ILE HD11 1.0 0.0 3.55 63 63 A 18 ILE HB A 18 ILE HD11 1.0 0.0 3.65 64 64 A 51 ILE HG21 A 51 ILE HD11 1.0 0.0 3.45 65 65 A 53 THR HG21 A 51 ILE HD11 1.0 0.0 3.41 66 66 A 51 ILE HD11 A 37 PHE HBx 1.0 0.0 4.53 67 67 A 51 ILE HD11 A 37 PHE HBy 1.0 0.0 5.14 68 68 A 51 ILE HD11 A 53 THR HB 1.0 0.0 5.50 69 69 A 51 ILE HD11 A 58 LEU HA 1.0 0.0 5.50 70 70 A 52 GLU HA A 51 ILE HD11 1.0 0.0 5.32 71 71 A 51 ILE HD11 A 51 ILE HA 1.0 0.0 4.92 72 72 A 18 ILE HG21 A 18 ILE HG1x 1.0 0.0 3.71 73 73 A 18 ILE HG21 A 18 ILE HG1y 1.0 0.0 4.01 74 74 A 18 ILE HG21 A 14 PHE HBy 1.0 0.0 4.13 75 75 A 18 ILE HG21 A 23 ARG HDx 1.0 0.0 4.58 76 76 A 18 ILE HG21 A 23 ARG HDy 1.0 0.0 4.58 77 77 A 18 ILE HG21 A 14 PHE HBx 1.0 0.0 3.90 78 78 A 18 ILE HG21 A 15 SER HA 1.0 0.0 5.17 79 79 A 14 PHE HA A 18 ILE HG21 1.0 0.0 5.08 80 80 A 14 PHE HD% A 18 ILE HG21 1.0 0.0 4.76 81 81 A 18 ILE HG21 A 22 TYR HD% 1.0 0.0 4.99 82 82 A 18 ILE HD11 A 22 TYR HA 1.0 0.0 5.50 83 83 A 22 TYR HA A 26 LEU HD21 1.0 0.0 5.50 84 84 A 18 ILE HG1y A 22 TYR HBx 1.0 0.0 4.62 85 85 A 18 ILE HG1y A 22 TYR HBy 1.0 0.0 4.37 86 86 A 18 ILE HA A 22 TYR HBy 1.0 0.0 5.50 87 87 A 18 ILE HD11 A 22 TYR HBx 1.0 0.0 4.57 88 88 A 18 ILE HD11 A 22 TYR HBy 1.0 0.0 4.35 89 89 A 18 ILE HG21 A 22 TYR HBy 1.0 0.0 4.69 90 90 A 26 LEU HD21 A 23 ARG HA 1.0 0.0 4.22 91 91 A 23 ARG HBx A 18 ILE HG21 1.0 0.0 4.05 92 92 A 23 ARG HBx A 18 ILE HG1x 1.0 0.0 3.64 93 93 A 23 ARG HBx A 18 ILE HG1y 1.0 0.0 3.79 94 94 A 11 ILE HD11 A 37 PHE HBy 1.0 0.0 3.62 95 95 A 26 LEU HA A 29 LEU HD21 1.0 0.0 4.51 96 96 A 4 THR HG21 A 3 TYR HA 1.0 0.0 4.14 97 97 A 26 LEU HD21 A 26 LEU HBy 1.0 0.0 3.70 98 98 A 26 LEU HD21 A 26 LEU HBx 1.0 0.0 3.19 99 99 A 26 LEU HD21 A 25 LYS HBx 1.0 0.0 4.06 100 100 A 26 LEU HD21 A 25 LYS HBy 1.0 0.0 4.06 101 101 A 14 PHE HBy A 26 LEU HD21 1.0 0.0 4.50 102 102 A 26 LEU HA A 26 LEU HD21 1.0 0.0 3.31 103 103 A 39 VAL HA A 39 VAL HG11 1.0 0.0 3.58 104 104 A 39 VAL HG11 A 4 THR HA 1.0 0.0 5.48 105 105 A 14 PHE HA A 26 LEU HD21 1.0 0.0 5.50 106 106 A 22 TYR HD% A 26 LEU HD21 1.0 0.0 4.78 107 107 A 49 ILE HG21 A 65 LEU HBx 1.0 0.0 5.36 108 108 A 49 ILE HG21 A 65 LEU HBy 1.0 0.0 5.50 109 109 A 70 VAL HG21 A 65 LEU HBy 1.0 0.0 5.50 110 110 A 29 LEU HD11 A 29 LEU HBx 1.0 0.0 4.23 111 111 A 31 MET HA A 32 LEU HBx 1.0 0.0 4.82 112 112 A 26 LEU HBy A 32 LEU HA 1.0 0.0 4.36 113 113 A 32 LEU HBx A 30 GLY HAx 1.0 0.0 5.28 114 114 A 37 PHE HA A 53 THR HB 1.0 0.0 4.55 115 115 A 37 PHE HA A 37 PHE HD% 1.0 0.0 4.72 116 116 A 8 ALA HA A 38 ASN HA 1.0 0.0 3.78 117 117 A 38 ASN HA A 8 ALA HB1 1.0 0.0 4.42 118 118 A 51 ILE HG21 A 39 VAL HG21 1.0 0.0 3.34 119 119 A 39 VAL HG21 A 51 ILE HB 1.0 0.0 4.68 120 120 A 39 VAL HA A 39 VAL HG21 1.0 0.0 3.38 121 121 A 4 THR HG21 A 4 THR HA 1.0 0.0 3.55 122 122 A 8 ALA HA A 39 VAL HG21 1.0 0.0 5.50 123 123 A 38 ASN HA A 39 VAL HG21 1.0 0.0 4.82 124 124 A 51 ILE HA A 39 VAL HG21 1.0 0.0 5.50 125 125 A 37 PHE HD% A 39 VAL HG21 1.0 0.0 4.15 126 126 A 4 THR HG21 A 9 TRP HZ2 1.0 0.0 4.54 127 127 A 4 THR HG21 A 5 PRO HDx 1.0 0.0 3.76 128 128 A 40 VAL HB A 50 HIS HBx 1.0 0.0 5.50 129 129 A 40 VAL HB A 50 HIS HBy 1.0 0.0 5.50 130 130 A 40 VAL HG11 A 50 HIS HBx 1.0 0.0 4.18 131 131 A 40 VAL HG11 A 50 HIS HBy 1.0 0.0 4.37 132 132 A 40 VAL HG11 A 41 ARG HBy 1.0 0.0 3.73 133 133 A 40 VAL HG11 A 40 VAL HA 1.0 0.0 3.56 134 134 A 42 VAL HA A 42 VAL HG11 1.0 0.0 3.74 135 135 A 40 VAL HG11 A 50 HIS HA 1.0 0.0 4.44 136 136 A 40 VAL HG11 A 51 ILE HA 1.0 0.0 3.92 137 137 A 50 HIS HBx A 41 ARG HBx 1.0 0.0 5.50 138 138 A 50 HIS HBx A 41 ARG HBy 1.0 0.0 5.50 139 139 A 40 VAL HB A 41 ARG HGx 1.0 0.0 4.64 140 140 A 50 HIS HBy A 59 VAL HA 1.0 0.0 5.50 141 141 A 49 ILE HA A 49 ILE HG1y 1.0 0.0 3.94 142 142 A 49 ILE HA A 49 ILE HG21 1.0 0.0 3.56 143 143 A 11 ILE HG21 A 11 ILE HA 1.0 0.0 3.74 144 144 A 5 PRO HDy A 42 VAL HG21 1.0 0.0 4.64 145 145 A 42 VAL HA A 42 VAL HG21 1.0 0.0 3.74 146 146 A 4 THR HA A 42 VAL HG21 1.0 0.0 4.40 147 147 A 4 THR HA A 42 VAL HG11 1.0 0.0 4.40 148 148 A 3 TYR HD% A 42 VAL HG11 1.0 0.0 5.50 149 149 A 40 VAL HG11 A 50 HIS HD2 1.0 0.0 5.50 150 150 A 43 ALA HA A 42 VAL HB 1.0 0.0 5.50 151 151 A 43 ALA HA A 44 PRO HDy 1.0 0.0 3.95 152 152 A 43 ALA HB1 A 44 PRO HDy 1.0 0.0 4.25 153 153 A 43 ALA HB1 A 42 VAL HA 1.0 0.0 4.05 154 154 A 45 LEU HA A 45 LEU HD21 1.0 0.0 4.47 155 155 A 45 LEU HD11 A 45 LEU HBx 1.0 0.0 3.66 156 156 A 45 LEU HBx A 45 LEU HD21 1.0 0.0 3.66 157 157 A 45 LEU HBy A 45 LEU HD21 1.0 0.0 3.66 158 158 A 45 LEU HBy A 45 LEU HD11 1.0 0.0 3.66 159 159 A 45 LEU HA A 45 LEU HD11 1.0 0.0 4.47 160 160 A 59 VAL HA A 59 VAL HG21 1.0 0.0 3.72 161 161 A 49 ILE HG21 A 65 LEU HG 1.0 0.0 3.86 162 162 A 39 VAL HB A 51 ILE HG21 1.0 0.0 4.48 163 163 A 51 ILE HG21 A 37 PHE HBx 1.0 0.0 5.30 164 164 A 51 ILE HG21 A 39 VAL HA 1.0 0.0 3.44 165 165 A 51 ILE HG21 A 51 ILE HA 1.0 0.0 3.73 166 166 A 50 HIS HA A 59 VAL HA 1.0 0.0 3.59 167 167 A 51 ILE HG21 A 50 HIS HA 1.0 0.0 5.50 168 168 A 50 HIS HA A 59 VAL HB 1.0 0.0 5.50 169 169 A 50 HIS HA A 59 VAL HG21 1.0 0.0 4.70 170 170 A 51 ILE HA A 41 ARG HGx 1.0 0.0 5.50 171 171 A 53 THR HG21 A 51 ILE HA 1.0 0.0 5.50 172 172 A 51 ILE HA A 39 VAL HA 1.0 0.0 4.45 173 173 A 40 VAL HG11 A 51 ILE HB 1.0 0.0 4.61 174 174 A 53 THR HG21 A 51 ILE HB 1.0 0.0 3.65 175 175 A 37 PHE HA A 53 THR HA 1.0 0.0 5.14 176 176 A 52 GLU HA A 53 THR HA 1.0 0.0 5.50 177 177 A 37 PHE HBx A 53 THR HA 1.0 0.0 5.34 178 178 A 37 PHE HBx A 53 THR HB 1.0 0.0 5.16 179 179 A 37 PHE HBy A 53 THR HB 1.0 0.0 5.50 180 180 A 53 THR HG21 A 56 VAL HB 1.0 0.0 5.50 181 181 A 53 THR HG21 A 37 PHE HBx 1.0 0.0 4.49 182 182 A 53 THR HG21 A 53 THR HA 1.0 0.0 4.25 183 183 A 53 THR HG21 A 39 VAL HA 1.0 0.0 5.50 184 184 A 55 ARG HA A 55 ARG HDx 1.0 0.0 5.50 185 185 A 55 ARG HA A 55 ARG HDy 1.0 0.0 5.50 186 186 A 57 SER HA A 56 VAL HB 1.0 0.0 5.50 187 187 A 57 SER HA A 52 GLU HBx 1.0 0.0 5.50 188 188 A 57 SER HA A 52 GLU HBy 1.0 0.0 5.50 189 189 A 39 VAL HG11 A 5 PRO HA 1.0 0.0 4.94 190 190 A 33 PRO HA A 11 ILE HD11 1.0 0.0 4.58 191 191 A 48 PRO HBx A 59 VAL HG21 1.0 0.0 4.23 192 192 A 60 LEU HA A 59 VAL HG21 1.0 0.0 5.09 193 193 A 48 PRO HBx A 59 VAL HG11 1.0 0.0 4.23 194 194 A 59 VAL HA A 59 VAL HG11 1.0 0.0 3.72 195 195 A 60 LEU HA A 59 VAL HG11 1.0 0.0 5.09 196 196 A 50 HIS HA A 59 VAL HG11 1.0 0.0 4.70 197 197 A 60 LEU HA A 59 VAL HA 1.0 0.0 4.60 198 198 A 61 ARG HA A 48 PRO HBx 1.0 0.0 4.47 199 199 A 61 ARG HBy A 62 LYS HA 1.0 0.0 4.94 200 200 A 61 ARG HBy A 63 LYS HA 1.0 0.0 5.50 201 201 A 18 ILE HG1x A 14 PHE HBx 1.0 0.0 3.27 202 202 A 18 ILE HB A 14 PHE HBx 1.0 0.0 3.26 203 203 A 23 ARG HBx A 14 PHE HBx 1.0 0.0 5.16 204 204 A 18 ILE HD11 A 14 PHE HBx 1.0 0.0 4.63 205 205 A 61 ARG HA A 61 ARG HDy 1.0 0.0 4.34 206 206 A 61 ARG HA A 61 ARG HDx 1.0 0.0 4.34 207 207 A 49 ILE HG1x A 62 LYS HA 1.0 0.0 4.05 208 208 A 65 LEU HBx A 62 LYS HA 1.0 0.0 4.65 209 209 A 49 ILE HD11 A 62 LYS HBx 1.0 0.0 4.94 210 210 A 49 ILE HD11 A 62 LYS HBy 1.0 0.0 4.94 211 211 A 63 LYS HA A 63 LYS HDx 1.0 0.0 5.50 212 212 A 63 LYS HA A 63 LYS HDy 1.0 0.0 5.50 213 213 A 64 ASP HBx A 60 LEU HD21 1.0 0.0 5.32 214 214 A 65 LEU HBy A 65 LEU HD11 1.0 0.0 4.16 215 215 A 49 ILE HG21 A 65 LEU HD11 1.0 0.0 3.72 216 216 A 65 LEU HA A 65 LEU HD11 1.0 0.0 4.00 217 217 A 49 ILE HA A 65 LEU HD11 1.0 0.0 5.50 218 218 A 3 TYR HE% A 65 LEU HD11 1.0 0.0 4.86 219 219 A 63 LYS HA A 66 ALA HB1 1.0 0.0 3.47 220 220 A 68 LEU HA A 68 LEU HD21 1.0 0.0 4.61 221 221 A 61 ARG HA A 48 PRO HBy 1.0 0.0 4.29 222 222 A 68 LEU HD11 A 68 LEU HBx 1.0 0.0 3.92 223 223 A 11 ILE HA A 70 VAL HA 1.0 0.0 4.26 224 224 A 70 VAL HA A 71 GLU HBx 1.0 0.0 5.50 225 225 A 70 VAL HA A 71 GLU HBy 1.0 0.0 5.50 226 226 A 70 VAL HB A 9 TRP HBy 1.0 0.0 5.50 227 227 A 70 VAL HB A 9 TRP HBx 1.0 0.0 5.50 228 228 A 70 VAL HG11 A 11 ILE HA 1.0 0.0 3.36 229 229 A 70 VAL HG11 A 70 VAL HA 1.0 0.0 3.57 230 230 A 70 VAL HG11 A 37 PHE HD% 1.0 0.0 4.25 231 231 A 72 ALA HB1 A 71 GLU HA 1.0 0.0 4.13 232 232 A 72 ALA HB1 A 73 VAL HA 1.0 0.0 4.75 233 233 A 73 VAL HA A 73 VAL HG21 1.0 0.0 3.47 234 234 A 8 ALA HB1 A 73 VAL HB 1.0 0.0 4.29 235 235 A 73 VAL HG21 A 10 LYS HEx 1.0 0.0 5.50 236 236 A 73 VAL HG21 A 10 LYS HEy 1.0 0.0 5.50 237 237 A 74 SER HA A 73 VAL HG21 1.0 0.0 5.50 238 238 A 73 VAL HB A 74 SER HA 1.0 0.0 4.80 239 239 A 75 SER HA A 76 LEU HBx 1.0 0.0 5.50 240 240 A 75 SER HA A 76 LEU HBy 1.0 0.0 5.50 241 241 A 15 SER HA A 18 ILE H 1.0 0.0 5.50 242 242 A 10 LYS HA A 36 SER HA 1.0 0.0 3.70 243 243 A 62 LYS HA A 62 LYS HEx 1.0 0.0 5.50 244 244 A 62 LYS HA A 62 LYS HEy 1.0 0.0 5.50 245 245 A 62 LYS HA A 49 ILE HD11 1.0 0.0 3.72 246 246 A 49 ILE HA A 49 ILE HD11 1.0 0.0 3.25 247 247 A 11 ILE HD11 A 35 SER HA 1.0 0.0 4.77 248 248 A 48 PRO HA A 49 ILE HD11 1.0 0.0 4.29 249 249 A 18 ILE HB A 14 PHE HBy 1.0 0.0 4.55 250 250 A 60 LEU HD11 A 64 ASP HBx 1.0 0.0 5.32 251 251 A 60 LEU HD11 A 64 ASP HBy 1.0 0.0 5.32 252 252 A 60 LEU HA A 60 LEU HD11 1.0 0.0 4.56 253 253 A 26 LEU HD11 A 26 LEU HBy 1.0 0.0 3.59 254 254 A 26 LEU HD11 A 33 PRO HDx 1.0 0.0 4.44 255 255 A 26 LEU HD11 A 26 LEU HA 1.0 0.0 3.79 256 256 A 26 LEU HD11 A 32 LEU HA 1.0 0.0 4.07 257 257 A 26 LEU HD11 A 14 PHE HE% 1.0 0.0 4.28 258 258 A 29 LEU HD11 A 29 LEU HBy 1.0 0.0 4.23 259 259 A 26 LEU HA A 29 LEU HD11 1.0 0.0 4.51 260 260 A 29 LEU HA A 29 LEU HD11 1.0 0.0 4.16 261 261 A 29 LEU HBx A 29 LEU HD21 1.0 0.0 4.23 262 262 A 29 LEU HBy A 29 LEU HD21 1.0 0.0 4.23 263 263 A 29 LEU HA A 29 LEU HD21 1.0 0.0 4.16 264 264 A 12 THR HG21 A 70 VAL HA 1.0 0.0 5.50 265 265 A 40 VAL HG21 A 41 ARG HGy 1.0 0.0 4.25 266 266 A 41 ARG HBy A 40 VAL HG21 1.0 0.0 3.72 267 267 A 40 VAL HA A 40 VAL HG21 1.0 0.0 3.35 268 268 A 26 LEU HBy A 26 LEU HG 1.0 0.0 2.98 269 269 A 23 ARG HA A 26 LEU HG 1.0 0.0 5.28 270 270 A 26 LEU HA A 26 LEU HG 1.0 0.0 3.91 271 271 A 10 LYS HEx A 73 VAL HG11 1.0 0.0 5.50 272 272 A 10 LYS HEy A 73 VAL HG11 1.0 0.0 5.50 273 273 A 74 SER HA A 73 VAL HG11 1.0 0.0 5.50 274 274 A 73 VAL HA A 73 VAL HG11 1.0 0.0 3.47 275 275 A 25 LYS HA A 25 LYS HGx 1.0 0.0 4.19 276 276 A 49 ILE HD11 A 49 ILE HB 1.0 0.0 4.09 277 277 A 18 ILE HG21 A 18 ILE HD11 1.0 0.0 4.32 278 278 A 23 ARG HBx A 18 ILE HD11 1.0 0.0 5.01 279 279 A 18 ILE HD11 A 23 ARG HA 1.0 0.0 4.70 280 280 A 14 PHE HD% A 18 ILE HD11 1.0 0.0 4.68 281 281 A 51 ILE HD11 A 39 VAL HA 1.0 0.0 5.50 282 282 A 51 ILE HD11 A 59 VAL HA 1.0 0.0 5.50 283 283 A 11 ILE HG21 A 37 PHE HD% 1.0 0.0 3.84 284 284 A 32 LEU HA A 26 LEU HG 1.0 0.0 5.10 285 285 A 67 LEU HA A 67 LEU HD11 1.0 0.0 3.87 286 286 A 67 LEU HA A 67 LEU HD21 1.0 0.0 3.87 287 287 A 49 ILE HG21 A 65 LEU HD21 1.0 0.0 3.72 288 288 A 65 LEU HBy A 65 LEU HD21 1.0 0.0 4.16 289 289 A 65 LEU HA A 65 LEU HD21 1.0 0.0 4.00 290 290 A 49 ILE HA A 65 LEU HD21 1.0 0.0 5.50 291 291 A 3 TYR HE% A 65 LEU HD21 1.0 0.0 4.86 292 292 A 49 ILE HA A 50 HIS HBx 1.0 0.0 4.89 293 293 A 63 LYS HA A 63 LYS HEx 1.0 0.0 5.50 294 294 A 63 LYS HA A 63 LYS HEy 1.0 0.0 5.50 295 295 A 41 ARG HGy A 41 ARG HA 1.0 0.0 4.03 296 296 A 25 LYS HA A 25 LYS HGy 1.0 0.0 4.19 297 297 A 70 VAL HG21 A 9 TRP HH2 1.0 0.0 4.34 298 298 A 70 VAL HG21 A 69 GLU HA 1.0 0.0 5.50 299 299 A 41 ARG HGx A 41 ARG HA 1.0 0.0 4.23 300 300 A 20 PRO HBx A 21 ALA HB1 1.0 0.0 4.81 301 301 A 22 TYR HA A 21 ALA HB1 1.0 0.0 4.00 302 302 A 22 TYR HD% A 21 ALA HB1 1.0 0.0 5.36 303 303 A 11 ILE HB A 11 ILE HD11 1.0 0.0 3.04 304 304 A 11 ILE HG21 A 11 ILE HD11 1.0 0.0 2.63 305 305 A 49 ILE HG21 A 49 ILE HD11 1.0 0.0 2.80 306 306 A 60 LEU HD21 A 64 ASP HBy 1.0 0.0 5.32 307 307 A 60 LEU HA A 60 LEU HD21 1.0 0.0 4.56 308 308 A 27 LEU HD11 A 27 LEU HBy 1.0 0.0 3.72 309 309 A 24 GLN HA A 27 LEU HD11 1.0 0.0 4.54 310 310 A 59 VAL HA A 58 LEU HG 1.0 0.0 4.57 311 311 A 58 LEU HA A 58 LEU HG 1.0 0.0 4.21 312 312 A 58 LEU HA A 58 LEU HD11 1.0 0.0 4.34 313 313 A 58 LEU HA A 58 LEU HD21 1.0 0.0 4.34 314 314 A 68 LEU HD11 A 68 LEU HBy 1.0 0.0 3.92 315 315 A 68 LEU HA A 68 LEU HD11 1.0 0.0 4.61 316 316 A 68 LEU HBy A 68 LEU HD21 1.0 0.0 3.92 317 317 A 68 LEU HBx A 68 LEU HD21 1.0 0.0 3.92 318 318 A 32 LEU HA A 32 LEU HD11 1.0 0.0 3.57 319 319 A 32 LEU HA A 32 LEU HD21 1.0 0.0 3.57 320 320 A 27 LEU HBx A 27 LEU HD21 1.0 0.0 3.72 321 321 A 27 LEU HBy A 27 LEU HD21 1.0 0.0 3.72 322 322 A 24 GLN HA A 27 LEU HD21 1.0 0.0 4.54 323 323 A 27 LEU HA A 27 LEU HD21 1.0 0.0 4.25 324 324 A 16 ARG HA A 16 ARG HDx 1.0 0.0 5.50 325 325 A 16 ARG HA A 16 ARG HDy 1.0 0.0 5.50 326 326 A 11 ILE HA A 12 THR H 1.0 0.0 3.43 327 327 A 3 TYR HE% A 3 TYR H 1.0 0.0 5.50 328 328 A 3 TYR HD% A 3 TYR H 1.0 0.0 3.85 329 329 A 3 TYR H A 4 THR H 1.0 0.0 4.69 330 330 A 18 ILE HD11 A 15 SER H 1.0 0.0 3.79 331 331 A 7 THR HG21 A 6 ASP H 1.0 0.0 4.62 332 332 A 18 ILE HG1x A 15 SER H 1.0 0.0 4.66 333 333 A 18 ILE HB A 15 SER H 1.0 0.0 4.61 334 334 A 14 PHE HBy A 15 SER H 1.0 0.0 4.10 335 335 A 14 PHE HBx A 15 SER H 1.0 0.0 3.87 336 336 A 15 SER H A 15 SER HBx 1.0 0.0 3.59 337 337 A 15 SER H A 15 SER HBy 1.0 0.0 3.59 338 338 A 14 PHE HA A 15 SER H 1.0 0.0 3.27 339 339 A 39 VAL HB A 6 ASP H 1.0 0.0 5.39 340 340 A 14 PHE HD% A 15 SER H 1.0 0.0 4.70 341 341 A 15 SER H A 69 GLU H 1.0 0.0 4.21 342 342 A 39 VAL HG11 A 7 THR H 1.0 0.0 5.50 343 343 A 7 THR HG21 A 7 THR H 1.0 0.0 3.96 344 344 A 39 VAL HG21 A 7 THR H 1.0 0.0 4.36 345 345 A 39 VAL HB A 7 THR H 1.0 0.0 3.75 346 346 A 5 PRO HA A 7 THR H 1.0 0.0 5.44 347 347 A 7 THR H A 6 ASP HA 1.0 0.0 3.47 348 348 A 6 ASP H A 7 THR H 1.0 0.0 4.10 349 349 A 7 THR H A 39 VAL H 1.0 0.0 4.30 350 350 A 8 ALA HB1 A 8 ALA H 1.0 0.0 3.51 351 351 A 7 THR HG21 A 8 ALA H 1.0 0.0 4.25 352 352 A 8 ALA H A 7 THR HB 1.0 0.0 3.69 353 353 A 7 THR HA A 8 ALA H 1.0 0.0 3.15 354 354 A 7 THR H A 8 ALA H 1.0 0.0 4.49 355 355 A 18 ILE HD11 A 23 ARG H 1.0 0.0 4.80 356 356 A 23 ARG HBx A 23 ARG H 1.0 0.0 3.45 357 357 A 23 ARG HBy A 23 ARG H 1.0 0.0 3.38 358 358 A 22 TYR HBy A 23 ARG H 1.0 0.0 4.38 359 359 A 22 TYR HBx A 23 ARG H 1.0 0.0 3.94 360 360 A 72 ALA HA A 9 TRP H 1.0 0.0 5.50 361 361 A 20 PRO HA A 23 ARG H 1.0 0.0 3.90 362 362 A 8 ALA HA A 9 TRP H 1.0 0.0 3.25 363 363 A 38 ASN HA A 9 TRP H 1.0 0.0 4.30 364 364 A 9 TRP HD1 A 9 TRP H 1.0 0.0 4.09 365 365 A 37 PHE HD% A 9 TRP H 1.0 0.0 5.29 366 366 A 23 ARG H A 22 TYR H 1.0 0.0 3.51 367 367 A 9 TRP H A 37 PHE H 1.0 0.0 3.93 368 368 A 10 LYS H A 9 TRP HBy 1.0 0.0 4.65 369 369 A 10 LYS H A 10 LYS HBy 1.0 0.0 4.10 370 370 A 10 LYS H A 10 LYS HBx 1.0 0.0 4.10 371 371 A 10 LYS H A 71 GLU HBx 1.0 0.0 5.50 372 372 A 10 LYS H A 71 GLU HBy 1.0 0.0 5.50 373 373 A 70 VAL HB A 10 LYS H 1.0 0.0 4.66 374 374 A 10 LYS H A 9 TRP HBx 1.0 0.0 4.65 375 375 A 9 TRP HA A 10 LYS H 1.0 0.0 3.54 376 376 A 72 ALA HA A 10 LYS H 1.0 0.0 4.89 377 377 A 10 LYS H A 71 GLU H 1.0 0.0 3.14 378 378 A 11 ILE HG21 A 11 ILE H 1.0 0.0 4.00 379 379 A 16 ARG H A 16 ARG HGx 1.0 0.0 4.91 380 380 A 16 ARG H A 16 ARG HGy 1.0 0.0 4.91 381 381 A 11 ILE HB A 11 ILE H 1.0 0.0 3.27 382 382 A 10 LYS HA A 11 ILE H 1.0 0.0 3.39 383 383 A 36 SER HA A 11 ILE H 1.0 0.0 4.22 384 384 A 71 GLU H A 11 ILE H 1.0 0.0 5.50 385 385 A 11 ILE HG21 A 12 THR H 1.0 0.0 4.04 386 386 A 12 THR HG21 A 12 THR H 1.0 0.0 4.03 387 387 A 11 ILE HB A 12 THR H 1.0 0.0 4.86 388 388 A 70 VAL HA A 12 THR H 1.0 0.0 4.00 389 389 A 11 ILE HG21 A 13 GLY H 1.0 0.0 3.53 390 390 A 12 THR HG21 A 13 GLY H 1.0 0.0 4.34 391 391 A 13 GLY H A 69 GLU HBy 1.0 0.0 4.34 392 392 A 13 GLY H A 69 GLU HBx 1.0 0.0 4.34 393 393 A 11 ILE HB A 13 GLY H 1.0 0.0 5.50 394 394 A 70 VAL HA A 13 GLY H 1.0 0.0 5.07 395 395 A 69 GLU H A 13 GLY H 1.0 0.0 4.89 396 396 A 12 THR H A 13 GLY H 1.0 0.0 3.40 397 397 A 11 ILE HG21 A 14 PHE H 1.0 0.0 5.50 398 398 A 26 LEU HD21 A 14 PHE H 1.0 0.0 5.50 399 399 A 14 PHE HBy A 14 PHE H 1.0 0.0 3.59 400 400 A 14 PHE HBx A 14 PHE H 1.0 0.0 4.10 401 401 A 14 PHE H A 13 GLY HAy 1.0 0.0 3.31 402 402 A 14 PHE H A 13 GLY HAx 1.0 0.0 3.31 403 403 A 14 PHE HD% A 14 PHE H 1.0 0.0 4.01 404 404 A 13 GLY H A 14 PHE H 1.0 0.0 4.69 405 405 A 15 SER H A 14 PHE H 1.0 0.0 4.68 406 406 A 15 SER H A 17 GLU H 1.0 0.0 5.50 407 407 A 11 ILE HD11 A 11 ILE H 1.0 0.0 4.09 408 408 A 16 ARG H A 17 GLU HBx 1.0 0.0 4.72 409 409 A 18 ILE HG21 A 17 GLU H 1.0 0.0 4.54 410 410 A 17 GLU HBy A 17 GLU H 1.0 0.0 3.45 411 411 A 17 GLU H A 17 GLU HBx 1.0 0.0 3.42 412 412 A 16 ARG H A 17 GLU H 1.0 0.0 4.19 413 413 A 18 ILE HG21 A 18 ILE H 1.0 0.0 3.42 414 414 A 29 LEU H A 29 LEU HD21 1.0 0.0 4.37 415 415 A 18 ILE HB A 18 ILE H 1.0 0.0 3.25 416 416 A 17 GLU HBy A 18 ILE H 1.0 0.0 4.02 417 417 A 18 ILE H A 17 GLU HBx 1.0 0.0 4.35 418 418 A 18 ILE H A 17 GLU H 1.0 0.0 3.49 419 419 A 18 ILE H A 15 SER H 1.0 0.0 4.84 420 420 A 18 ILE HD11 A 19 SER H 1.0 0.0 3.95 421 421 A 18 ILE HG21 A 19 SER H 1.0 0.0 4.01 422 422 A 23 ARG HBx A 19 SER H 1.0 0.0 4.91 423 423 A 18 ILE HG1y A 19 SER H 1.0 0.0 3.40 424 424 A 18 ILE HB A 19 SER H 1.0 0.0 4.14 425 425 A 22 TYR HBy A 19 SER H 1.0 0.0 4.33 426 426 A 22 TYR HBx A 19 SER H 1.0 0.0 4.90 427 427 A 18 ILE HA A 19 SER H 1.0 0.0 3.03 428 428 A 22 TYR HD% A 19 SER H 1.0 0.0 5.50 429 429 A 18 ILE H A 19 SER H 1.0 0.0 5.30 430 430 A 22 TYR H A 19 SER H 1.0 0.0 4.89 431 431 A 18 ILE HG21 A 22 TYR H 1.0 0.0 5.50 432 432 A 21 ALA HB1 A 22 TYR H 1.0 0.0 3.64 433 433 A 23 ARG HBy A 22 TYR H 1.0 0.0 4.94 434 434 A 22 TYR HBy A 22 TYR H 1.0 0.0 3.70 435 435 A 22 TYR HBx A 22 TYR H 1.0 0.0 3.44 436 436 A 18 ILE HD11 A 22 TYR H 1.0 0.0 5.27 437 437 A 23 ARG HA A 22 TYR H 1.0 0.0 5.20 438 438 A 22 TYR HD% A 22 TYR H 1.0 0.0 4.92 439 439 A 8 ALA HB1 A 9 TRP H 1.0 0.0 4.34 440 440 A 26 LEU HD21 A 24 GLN H 1.0 0.0 5.50 441 441 A 18 ILE HG21 A 24 GLN H 1.0 0.0 5.50 442 442 A 23 ARG HBx A 24 GLN H 1.0 0.0 3.86 443 443 A 23 ARG HBy A 24 GLN H 1.0 0.0 3.49 444 444 A 24 GLN H A 24 GLN HGx 1.0 0.0 5.25 445 445 A 24 GLN H A 24 GLN HGy 1.0 0.0 5.25 446 446 A 20 PRO HA A 24 GLN H 1.0 0.0 4.24 447 447 A 24 GLN H A 21 ALA HA 1.0 0.0 4.71 448 448 A 24 GLN H A 25 LYS H 1.0 0.0 3.04 449 449 A 24 GLN H A 26 LEU H 1.0 0.0 4.75 450 450 A 23 ARG H A 24 GLN H 1.0 0.0 3.69 451 451 A 26 LEU HD21 A 25 LYS H 1.0 0.0 4.30 452 452 A 25 LYS H A 24 GLN HGx 1.0 0.0 5.50 453 453 A 25 LYS H A 24 GLN HGy 1.0 0.0 5.50 454 454 A 22 TYR HBy A 25 LYS H 1.0 0.0 5.50 455 455 A 25 LYS H A 25 LYS HEx 1.0 0.0 5.50 456 456 A 25 LYS H A 25 LYS HEy 1.0 0.0 5.50 457 457 A 23 ARG HA A 25 LYS H 1.0 0.0 5.50 458 458 A 22 TYR HA A 25 LYS H 1.0 0.0 3.82 459 459 A 25 LYS H A 26 LEU H 1.0 0.0 3.78 460 460 A 23 ARG H A 25 LYS H 1.0 0.0 4.40 461 461 A 26 LEU HD21 A 26 LEU H 1.0 0.0 3.69 462 462 A 26 LEU HBx A 26 LEU H 1.0 0.0 3.20 463 463 A 26 LEU H A 25 LYS HBx 1.0 0.0 4.44 464 464 A 26 LEU H A 25 LYS HBy 1.0 0.0 4.44 465 465 A 26 LEU H A 27 LEU H 1.0 0.0 4.14 466 466 A 26 LEU HD21 A 27 LEU H 1.0 0.0 4.22 467 467 A 27 LEU H A 27 LEU HD21 1.0 0.0 5.30 468 468 A 26 LEU HD11 A 27 LEU H 1.0 0.0 5.06 469 469 A 27 LEU H A 27 LEU HD11 1.0 0.0 5.30 470 470 A 26 LEU HBx A 27 LEU H 1.0 0.0 3.62 471 471 A 24 GLN HA A 27 LEU H 1.0 0.0 3.88 472 472 A 29 LEU H A 27 LEU H 1.0 0.0 5.50 473 473 A 24 GLN H A 27 LEU H 1.0 0.0 5.07 474 474 A 27 LEU H A 28 SER H 1.0 0.0 3.13 475 475 A 28 SER H A 27 LEU HD21 1.0 0.0 5.50 476 476 A 26 LEU HD11 A 28 SER H 1.0 0.0 5.50 477 477 A 28 SER H A 27 LEU HD11 1.0 0.0 5.50 478 478 A 28 SER H A 27 LEU HBx 1.0 0.0 4.36 479 479 A 28 SER H A 27 LEU HBy 1.0 0.0 4.36 480 480 A 28 SER H A 28 SER HBx 1.0 0.0 3.88 481 481 A 28 SER H A 28 SER HBy 1.0 0.0 3.88 482 482 A 26 LEU H A 28 SER H 1.0 0.0 4.21 483 483 A 29 LEU H A 29 LEU HD11 1.0 0.0 4.37 484 484 A 26 LEU HA A 29 LEU H 1.0 0.0 4.16 485 485 A 27 LEU HA A 29 LEU H 1.0 0.0 4.51 486 486 A 29 LEU H A 28 SER H 1.0 0.0 3.60 487 487 A 30 GLY H A 29 LEU HBx 1.0 0.0 4.42 488 488 A 30 GLY H A 29 LEU HBy 1.0 0.0 4.42 489 489 A 29 LEU H A 30 GLY H 1.0 0.0 4.50 490 490 A 30 GLY H A 31 MET H 1.0 0.0 2.94 491 491 A 31 MET H A 29 LEU HD11 1.0 0.0 4.77 492 492 A 32 LEU HBx A 31 MET H 1.0 0.0 5.13 493 493 A 31 MET H A 31 MET HBy 1.0 0.0 3.78 494 494 A 31 MET H A 31 MET HBx 1.0 0.0 3.78 495 495 A 31 MET H A 32 LEU H 1.0 0.0 4.93 496 496 A 29 LEU H A 31 MET H 1.0 0.0 5.21 497 497 A 32 LEU HBx A 32 LEU H 1.0 0.0 3.43 498 498 A 30 GLY HAx A 32 LEU H 1.0 0.0 4.18 499 499 A 11 ILE HG21 A 34 GLY H 1.0 0.0 4.47 500 500 A 11 ILE HB A 34 GLY H 1.0 0.0 4.06 501 501 A 11 ILE HD11 A 35 SER H 1.0 0.0 4.27 502 502 A 11 ILE HB A 35 SER H 1.0 0.0 4.33 503 503 A 33 PRO HA A 35 SER H 1.0 0.0 4.46 504 504 A 35 SER H A 35 SER HBy 1.0 0.0 3.99 505 505 A 35 SER H A 35 SER HBx 1.0 0.0 3.99 506 506 A 34 GLY H A 35 SER H 1.0 0.0 3.90 507 507 A 36 SER H A 35 SER HBy 1.0 0.0 3.89 508 508 A 36 SER H A 35 SER HBx 1.0 0.0 3.89 509 509 A 35 SER HA A 36 SER H 1.0 0.0 3.26 510 510 A 53 THR HG21 A 37 PHE H 1.0 0.0 5.50 511 511 A 37 PHE H A 36 SER HBx 1.0 0.0 4.59 512 512 A 37 PHE H A 36 SER HBy 1.0 0.0 4.59 513 513 A 10 LYS HA A 37 PHE H 1.0 0.0 4.42 514 514 A 36 SER HA A 37 PHE H 1.0 0.0 3.39 515 515 A 38 ASN HA A 37 PHE H 1.0 0.0 5.13 516 516 A 37 PHE HD% A 37 PHE H 1.0 0.0 4.13 517 517 A 53 THR HG21 A 38 ASN H 1.0 0.0 4.95 518 518 A 51 ILE HB A 38 ASN H 1.0 0.0 5.00 519 519 A 37 PHE HBx A 38 ASN H 1.0 0.0 3.60 520 520 A 37 PHE HA A 38 ASN H 1.0 0.0 3.48 521 521 A 37 PHE HD% A 38 ASN H 1.0 0.0 4.49 522 522 A 39 VAL H A 38 ASN H 1.0 0.0 4.77 523 523 A 38 ASN H A 52 GLU H 1.0 0.0 5.35 524 524 A 39 VAL HG11 A 39 VAL H 1.0 0.0 4.66 525 525 A 51 ILE HG21 A 39 VAL H 1.0 0.0 5.06 526 526 A 39 VAL HG21 A 39 VAL H 1.0 0.0 3.73 527 527 A 39 VAL HB A 39 VAL H 1.0 0.0 3.47 528 528 A 8 ALA HA A 39 VAL H 1.0 0.0 4.68 529 529 A 38 ASN HA A 39 VAL H 1.0 0.0 3.42 530 530 A 37 PHE HD% A 39 VAL H 1.0 0.0 5.50 531 531 A 39 VAL HG11 A 40 VAL H 1.0 0.0 3.72 532 532 A 40 VAL HG11 A 40 VAL H 1.0 0.0 3.64 533 533 A 39 VAL HG21 A 40 VAL H 1.0 0.0 4.52 534 534 A 40 VAL HB A 40 VAL H 1.0 0.0 4.02 535 535 A 39 VAL HB A 40 VAL H 1.0 0.0 5.50 536 536 A 39 VAL HA A 40 VAL H 1.0 0.0 3.35 537 537 A 51 ILE HA A 40 VAL H 1.0 0.0 4.05 538 538 A 39 VAL HG11 A 41 ARG H 1.0 0.0 3.80 539 539 A 40 VAL HG11 A 41 ARG H 1.0 0.0 3.55 540 540 A 39 VAL HG21 A 41 ARG H 1.0 0.0 4.74 541 541 A 41 ARG HGy A 41 ARG H 1.0 0.0 4.27 542 542 A 40 VAL HB A 41 ARG H 1.0 0.0 4.35 543 543 A 50 HIS HBx A 41 ARG H 1.0 0.0 4.28 544 544 A 51 ILE HA A 41 ARG H 1.0 0.0 4.73 545 545 A 40 VAL H A 41 ARG H 1.0 0.0 3.29 546 546 A 42 VAL H A 42 VAL HG11 1.0 0.0 4.45 547 547 A 42 VAL H A 42 VAL HG21 1.0 0.0 4.45 548 548 A 41 ARG HGy A 42 VAL H 1.0 0.0 4.39 549 549 A 41 ARG HBx A 42 VAL H 1.0 0.0 3.67 550 550 A 42 VAL H A 5 PRO HBy 1.0 0.0 4.69 551 551 A 42 VAL H A 5 PRO HBx 1.0 0.0 4.69 552 552 A 5 PRO HDy A 42 VAL H 1.0 0.0 5.50 553 553 A 41 ARG HA A 42 VAL H 1.0 0.0 3.11 554 554 A 41 ARG H A 42 VAL H 1.0 0.0 4.87 555 555 A 42 VAL H A 43 ALA H 1.0 0.0 5.25 556 556 A 43 ALA H A 42 VAL HG11 1.0 0.0 4.22 557 557 A 43 ALA H A 42 VAL HG21 1.0 0.0 4.22 558 558 A 43 ALA HB1 A 43 ALA H 1.0 0.0 3.35 559 559 A 42 VAL HB A 43 ALA H 1.0 0.0 4.48 560 560 A 43 ALA H A 44 PRO HDx 1.0 0.0 5.50 561 561 A 43 ALA H A 44 PRO HDy 1.0 0.0 5.50 562 562 A 42 VAL HA A 43 ALA H 1.0 0.0 3.27 563 563 A 43 ALA H A 47 ASP H 1.0 0.0 5.47 564 564 A 45 LEU H A 45 LEU HD11 1.0 0.0 5.05 565 565 A 45 LEU H A 45 LEU HD21 1.0 0.0 5.05 566 566 A 43 ALA HB1 A 45 LEU H 1.0 0.0 4.90 567 567 A 45 LEU H A 45 LEU HBx 1.0 0.0 3.93 568 568 A 45 LEU H A 45 LEU HBy 1.0 0.0 3.93 569 569 A 43 ALA HB1 A 46 GLY H 1.0 0.0 4.68 570 570 A 46 GLY H A 45 LEU HBx 1.0 0.0 4.37 571 571 A 46 GLY H A 45 LEU HBy 1.0 0.0 4.37 572 572 A 47 ASP H A 46 GLY H 1.0 0.0 3.42 573 573 A 45 LEU H A 46 GLY H 1.0 0.0 2.82 574 574 A 43 ALA HB1 A 47 ASP H 1.0 0.0 3.80 575 575 A 47 ASP H A 48 PRO HDx 1.0 0.0 5.50 576 576 A 47 ASP H A 48 PRO HDy 1.0 0.0 5.50 577 577 A 48 PRO HA A 47 ASP H 1.0 0.0 5.50 578 578 A 49 ILE H A 65 LEU HD11 1.0 0.0 5.50 579 579 A 49 ILE H A 65 LEU HD21 1.0 0.0 5.50 580 580 A 49 ILE HG21 A 49 ILE H 1.0 0.0 4.05 581 581 A 49 ILE HG1y A 49 ILE H 1.0 0.0 4.38 582 582 A 49 ILE HB A 49 ILE H 1.0 0.0 3.48 583 583 A 49 ILE HG1x A 49 ILE H 1.0 0.0 3.72 584 584 A 48 PRO HBx A 49 ILE H 1.0 0.0 3.27 585 585 A 60 LEU HA A 49 ILE H 1.0 0.0 5.00 586 586 A 49 ILE HG21 A 50 HIS H 1.0 0.0 3.67 587 587 A 40 VAL HG11 A 50 HIS H 1.0 0.0 4.63 588 588 A 49 ILE HD11 A 50 HIS H 1.0 0.0 4.88 589 589 A 41 ARG HGy A 50 HIS H 1.0 0.0 4.38 590 590 A 49 ILE HB A 50 HIS H 1.0 0.0 4.50 591 591 A 48 PRO HBx A 50 HIS H 1.0 0.0 5.13 592 592 A 50 HIS HBx A 50 HIS H 1.0 0.0 3.53 593 593 A 49 ILE HA A 50 HIS H 1.0 0.0 3.28 594 594 A 50 HIS HD2 A 50 HIS H 1.0 0.0 5.30 595 595 A 41 ARG H A 50 HIS H 1.0 0.0 4.95 596 596 A 49 ILE H A 50 HIS H 1.0 0.0 4.32 597 597 A 50 HIS H A 51 ILE H 1.0 0.0 4.59 598 598 A 51 ILE HG21 A 51 ILE H 1.0 0.0 3.70 599 599 A 50 HIS HBy A 51 ILE H 1.0 0.0 4.45 600 600 A 59 VAL HA A 51 ILE H 1.0 0.0 3.97 601 601 A 50 HIS HA A 51 ILE H 1.0 0.0 3.26 602 602 A 51 ILE H A 58 LEU H 1.0 0.0 4.37 603 603 A 51 ILE HD11 A 52 GLU H 1.0 0.0 5.10 604 604 A 51 ILE HG21 A 52 GLU H 1.0 0.0 4.09 605 605 A 53 THR HG21 A 52 GLU H 1.0 0.0 4.51 606 606 A 51 ILE HB A 52 GLU H 1.0 0.0 3.51 607 607 A 52 GLU H A 52 GLU HGx 1.0 0.0 5.50 608 608 A 52 GLU H A 52 GLU HGy 1.0 0.0 5.50 609 609 A 37 PHE HBx A 52 GLU H 1.0 0.0 5.50 610 610 A 39 VAL HA A 52 GLU H 1.0 0.0 5.50 611 611 A 37 PHE HD% A 52 GLU H 1.0 0.0 5.08 612 612 A 52 GLU H A 53 THR H 1.0 0.0 4.40 613 613 A 53 THR H A 56 VAL HG11 1.0 0.0 5.50 614 614 A 53 THR H A 56 VAL HG21 1.0 0.0 5.50 615 615 A 53 THR HG21 A 53 THR H 1.0 0.0 3.86 616 616 A 53 THR H A 52 GLU HBx 1.0 0.0 4.86 617 617 A 53 THR H A 52 GLU HBy 1.0 0.0 4.86 618 618 A 52 GLU HA A 53 THR H 1.0 0.0 3.28 619 619 A 55 ARG H A 55 ARG HGx 1.0 0.0 5.40 620 620 A 55 ARG H A 55 ARG HGy 1.0 0.0 5.40 621 621 A 55 ARG H A 56 VAL HA 1.0 0.0 5.50 622 622 A 53 THR HB A 55 ARG H 1.0 0.0 4.59 623 623 A 53 THR HG21 A 56 VAL H 1.0 0.0 5.10 624 624 A 56 VAL H A 55 ARG HBx 1.0 0.0 4.98 625 625 A 56 VAL H A 55 ARG HBy 1.0 0.0 4.98 626 626 A 56 VAL HB A 56 VAL H 1.0 0.0 4.07 627 627 A 55 ARG H A 56 VAL H 1.0 0.0 3.95 628 628 A 53 THR H A 56 VAL H 1.0 0.0 4.49 629 629 A 56 VAL HA A 57 SER H 1.0 0.0 3.21 630 630 A 23 ARG H A 21 ALA HA 1.0 0.0 5.22 631 631 A 58 LEU HG A 58 LEU H 1.0 0.0 4.78 632 632 A 51 ILE HB A 58 LEU H 1.0 0.0 5.50 633 633 A 57 SER HA A 58 LEU H 1.0 0.0 3.16 634 634 A 58 LEU HG A 59 VAL H 1.0 0.0 3.70 635 635 A 59 VAL HB A 59 VAL H 1.0 0.0 3.40 636 636 A 58 LEU H A 59 VAL H 1.0 0.0 4.55 637 637 A 49 ILE HG21 A 60 LEU H 1.0 0.0 5.25 638 638 A 48 PRO HBx A 60 LEU H 1.0 0.0 4.36 639 639 A 72 ALA H A 71 GLU HGx 1.0 0.0 5.47 640 640 A 72 ALA H A 71 GLU HGy 1.0 0.0 5.47 641 641 A 59 VAL HA A 60 LEU H 1.0 0.0 3.35 642 642 A 50 HIS HA A 60 LEU H 1.0 0.0 4.20 643 643 A 72 ALA H A 73 VAL H 1.0 0.0 4.87 644 644 A 59 VAL H A 60 LEU H 1.0 0.0 5.00 645 645 A 71 GLU H A 72 ALA H 1.0 0.0 4.47 646 646 A 61 ARG H A 60 LEU HD11 1.0 0.0 5.50 647 647 A 61 ARG H A 60 LEU HD21 1.0 0.0 5.50 648 648 A 61 ARG H A 61 ARG HBx 1.0 0.0 3.29 649 649 A 61 ARG HBy A 61 ARG H 1.0 0.0 4.16 650 650 A 61 ARG H A 64 ASP HA 1.0 0.0 5.24 651 651 A 60 LEU HA A 61 ARG H 1.0 0.0 3.32 652 652 A 49 ILE HD11 A 62 LYS H 1.0 0.0 5.50 653 653 A 62 LYS H A 62 LYS HGx 1.0 0.0 4.72 654 654 A 62 LYS H A 62 LYS HGy 1.0 0.0 4.72 655 655 A 62 LYS H A 62 LYS HBx 1.0 0.0 4.00 656 656 A 62 LYS H A 62 LYS HBy 1.0 0.0 4.00 657 657 A 61 ARG HBy A 62 LYS H 1.0 0.0 4.28 658 658 A 48 PRO HA A 62 LYS H 1.0 0.0 4.70 659 659 A 49 ILE H A 62 LYS H 1.0 0.0 5.50 660 660 A 61 ARG H A 62 LYS H 1.0 0.0 5.50 661 661 A 63 LYS H A 62 LYS HGx 1.0 0.0 4.76 662 662 A 63 LYS H A 63 LYS HGx 1.0 0.0 5.48 663 663 A 63 LYS H A 63 LYS HGy 1.0 0.0 5.48 664 664 A 63 LYS H A 62 LYS HGy 1.0 0.0 4.76 665 665 A 61 ARG HBy A 63 LYS H 1.0 0.0 4.11 666 666 A 63 LYS H A 64 ASP H 1.0 0.0 3.96 667 667 A 62 LYS H A 63 LYS H 1.0 0.0 4.00 668 668 A 61 ARG HBx A 64 ASP H 1.0 0.0 4.25 669 669 A 61 ARG HBy A 64 ASP H 1.0 0.0 4.63 670 670 A 64 ASP H A 64 ASP HBy 1.0 0.0 3.89 671 671 A 64 ASP H A 64 ASP HBx 1.0 0.0 3.89 672 672 A 62 LYS HA A 64 ASP H 1.0 0.0 4.62 673 673 A 64 ASP H A 65 LEU H 1.0 0.0 3.56 674 674 A 64 ASP H A 66 ALA H 1.0 0.0 4.90 675 675 A 61 ARG H A 64 ASP H 1.0 0.0 4.80 676 676 A 65 LEU HG A 65 LEU H 1.0 0.0 4.34 677 677 A 65 LEU HBx A 65 LEU H 1.0 0.0 3.47 678 678 A 65 LEU H A 64 ASP HBy 1.0 0.0 4.45 679 679 A 65 LEU H A 64 ASP HBx 1.0 0.0 4.45 680 680 A 66 ALA H A 65 LEU HD11 1.0 0.0 5.50 681 681 A 66 ALA H A 65 LEU HD21 1.0 0.0 5.50 682 682 A 66 ALA HB1 A 66 ALA H 1.0 0.0 3.10 683 683 A 66 ALA H A 67 LEU HBx 1.0 0.0 5.03 684 684 A 63 LYS HA A 66 ALA H 1.0 0.0 4.30 685 685 A 64 ASP HA A 66 ALA H 1.0 0.0 5.02 686 686 A 66 ALA H A 67 LEU H 1.0 0.0 3.78 687 687 A 65 LEU H A 66 ALA H 1.0 0.0 3.52 688 688 A 66 ALA HB1 A 67 LEU H 1.0 0.0 4.00 689 689 A 67 LEU HBx A 67 LEU H 1.0 0.0 3.53 690 690 A 67 LEU H A 67 LEU HBy 1.0 0.0 3.82 691 691 A 65 LEU HA A 67 LEU H 1.0 0.0 4.59 692 692 A 68 LEU H A 68 LEU HBy 1.0 0.0 3.53 693 693 A 67 LEU HBx A 68 LEU H 1.0 0.0 3.57 694 694 A 67 LEU HBy A 68 LEU H 1.0 0.0 4.08 695 695 A 65 LEU HA A 68 LEU H 1.0 0.0 4.40 696 696 A 67 LEU H A 68 LEU H 1.0 0.0 3.33 697 697 A 66 ALA H A 68 LEU H 1.0 0.0 4.35 698 698 A 69 GLU H A 68 LEU H 1.0 0.0 5.13 699 699 A 2 GLN HA A 3 TYR H 1.0 0.0 3.47 700 700 A 68 LEU HA A 69 GLU H 1.0 0.0 3.18 701 701 A 14 PHE HA A 69 GLU H 1.0 0.0 3.87 702 702 A 14 PHE HD% A 69 GLU H 1.0 0.0 5.50 703 703 A 70 VAL HG21 A 70 VAL H 1.0 0.0 3.31 704 704 A 70 VAL HG11 A 70 VAL H 1.0 0.0 3.81 705 705 A 70 VAL H A 69 GLU HBy 1.0 0.0 4.67 706 706 A 70 VAL H A 69 GLU HBx 1.0 0.0 4.67 707 707 A 69 GLU HA A 70 VAL H 1.0 0.0 2.95 708 708 A 70 VAL HG21 A 71 GLU H 1.0 0.0 4.04 709 709 A 70 VAL HG11 A 71 GLU H 1.0 0.0 3.67 710 710 A 70 VAL HB A 71 GLU H 1.0 0.0 3.43 711 711 A 70 VAL HA A 71 GLU H 1.0 0.0 3.37 712 712 A 37 PHE HE% A 71 GLU H 1.0 0.0 5.28 713 713 A 72 ALA HB1 A 72 ALA H 1.0 0.0 3.29 714 714 A 72 ALA HB1 A 73 VAL H 1.0 0.0 3.51 715 715 A 73 VAL HB A 73 VAL H 1.0 0.0 3.81 716 716 A 72 ALA HA A 73 VAL H 1.0 0.0 3.56 717 717 A 73 VAL HB A 74 SER H 1.0 0.0 5.50 718 718 A 56 VAL HB A 57 SER H 1.0 0.0 4.14 719 719 A 77 GLU H A 76 LEU HBx 1.0 0.0 5.14 720 720 A 77 GLU H A 76 LEU HBy 1.0 0.0 5.14 721 721 A 4 THR HG21 A 4 THR H 1.0 0.0 3.63 722 722 A 4 THR H A 3 TYR HBx 1.0 0.0 5.16 723 723 A 4 THR H A 3 TYR HBy 1.0 0.0 5.16 724 724 A 5 PRO HDx A 4 THR H 1.0 0.0 5.50 725 725 A 5 PRO HDy A 4 THR H 1.0 0.0 5.50 726 726 A 3 TYR HA A 4 THR H 1.0 0.0 3.04 727 727 A 77 GLU H A 76 LEU H 1.0 0.0 3.54 728 728 A 15 SER HA A 16 ARG H 1.0 0.0 3.44 729 729 A 17 GLU H A 16 ARG HBx 1.0 0.0 4.60 730 730 A 17 GLU H A 16 ARG HBy 1.0 0.0 4.60 731 731 A 47 ASP HA A 46 GLY H 1.0 0.0 4.97 732 732 A 49 ILE HD11 A 49 ILE H 1.0 0.0 4.28 733 733 A 40 VAL HG11 A 51 ILE H 1.0 0.0 3.91 734 734 A 40 VAL HG11 A 52 GLU H 1.0 0.0 3.96 735 735 A 52 GLU HA A 58 LEU H 1.0 0.0 4.66 736 736 A 59 VAL HB A 60 LEU H 1.0 0.0 4.38 737 737 A 71 GLU HA A 72 ALA H 1.0 0.0 3.20 738 738 A 66 ALA HB1 A 68 LEU H 1.0 0.0 4.84 739 739 A 68 LEU H A 68 LEU HBx 1.0 0.0 3.53 740 740 A 4 THR HG21 A 3 TYR H 1.0 0.0 4.12 741 741 A 7 THR HA A 9 TRP HE1 1.0 0.0 5.50 742 742 A 7 THR HB A 9 TRP HE1 1.0 0.0 3.81 743 743 A 7 THR HG21 A 9 TRP HE1 1.0 0.0 3.50 744 744 A 29 LEU H A 28 SER HBx 1.0 0.0 4.58 745 745 A 29 LEU H A 28 SER HBy 1.0 0.0 4.58 746 746 A 31 MET H A 29 LEU HD21 1.0 0.0 4.77 747 747 A 59 VAL H A 58 LEU HBx 1.0 0.0 4.78 748 748 A 59 VAL H A 58 LEU HBy 1.0 0.0 4.78 749 749 A 51 ILE HD11 A 51 ILE H 1.0 0.0 5.38 750 750 A 3 TYR HD% A 9 TRP HH2 1.0 0.0 4.14 751 751 A 3 TYR HA A 3 TYR HD% 1.0 0.0 3.78 752 752 A 3 TYR HD% A 42 VAL HG21 1.0 0.0 5.50 753 753 A 49 ILE HG21 A 3 TYR HD% 1.0 0.0 3.35 754 754 A 3 TYR HD% A 65 LEU HD11 1.0 0.0 4.88 755 755 A 3 TYR HD% A 65 LEU HD21 1.0 0.0 4.88 756 756 A 3 TYR HE% A 9 TRP HZ3 1.0 0.0 5.04 757 757 A 3 TYR HE% A 9 TRP HH2 1.0 0.0 4.94 758 758 A 65 LEU HBx A 3 TYR HE% 1.0 0.0 4.37 759 759 A 65 LEU HBy A 3 TYR HE% 1.0 0.0 4.87 760 760 A 65 LEU HG A 3 TYR HE% 1.0 0.0 3.91 761 761 A 49 ILE HD11 A 3 TYR HE% 1.0 0.0 4.15 762 762 A 49 ILE HG21 A 3 TYR HE% 1.0 0.0 3.42 763 763 A 3 TYR HA A 3 TYR HE% 1.0 0.0 5.50 764 764 A 22 TYR HD% A 22 TYR HA 1.0 0.0 3.98 765 765 A 18 ILE HA A 22 TYR HD% 1.0 0.0 5.50 766 766 A 23 ARG HBx A 22 TYR HD% 1.0 0.0 3.85 767 767 A 23 ARG HBy A 22 TYR HD% 1.0 0.0 5.39 768 768 A 22 TYR HD% A 58 LEU HD11 1.0 0.0 4.12 769 769 A 22 TYR HD% A 58 LEU HD21 1.0 0.0 4.12 770 770 A 18 ILE HD11 A 22 TYR HD% 1.0 0.0 2.97 771 771 A 22 TYR HA A 22 TYR HE% 1.0 0.0 5.28 772 772 A 14 PHE HBy A 22 TYR HE% 1.0 0.0 3.76 773 773 A 18 ILE HG1x A 22 TYR HD% 1.0 0.0 3.97 774 774 A 22 TYR HE% A 60 LEU HBx 1.0 0.0 5.50 775 775 A 22 TYR HE% A 60 LEU HBy 1.0 0.0 5.50 776 776 A 65 LEU HBy A 9 TRP HH2 1.0 0.0 3.76 777 777 A 22 TYR HE% A 58 LEU HD11 1.0 0.0 4.13 778 778 A 22 TYR HE% A 58 LEU HD21 1.0 0.0 4.13 779 779 A 22 TYR HE% A 60 LEU HD21 1.0 0.0 4.06 780 780 A 18 ILE HD11 A 22 TYR HE% 1.0 0.0 3.49 781 781 A 26 LEU HD21 A 22 TYR HE% 1.0 0.0 3.68 782 782 A 22 TYR HD% A 60 LEU HD21 1.0 0.0 3.82 783 783 A 22 TYR HE% A 60 LEU HD11 1.0 0.0 4.06 784 784 A 14 PHE HD% A 23 ARG HA 1.0 0.0 4.51 785 785 A 14 PHE HD% A 18 ILE HB 1.0 0.0 4.35 786 786 A 14 PHE HD% A 26 LEU HBy 1.0 0.0 4.28 787 787 A 26 LEU HBy A 14 PHE HE% 1.0 0.0 3.65 788 788 A 14 PHE HD% A 18 ILE HG1x 1.0 0.0 4.18 789 789 A 18 ILE HG1x A 14 PHE HE% 1.0 0.0 5.50 790 790 A 14 PHE HD% A 26 LEU HBx 1.0 0.0 3.99 791 791 A 26 LEU HBx A 14 PHE HE% 1.0 0.0 4.38 792 792 A 26 LEU HD11 A 14 PHE HD% 1.0 0.0 3.95 793 793 A 14 PHE HD% A 26 LEU HG 1.0 0.0 2.83 794 794 A 14 PHE HD% A 26 LEU HD21 1.0 0.0 3.63 795 795 A 14 PHE HE% A 26 LEU HG 1.0 0.0 3.84 796 796 A 26 LEU HD21 A 14 PHE HE% 1.0 0.0 4.25 797 797 A 14 PHE HD% A 22 TYR HE% 1.0 0.0 4.74 798 798 A 37 PHE HD% A 51 ILE HB 1.0 0.0 3.62 799 799 A 37 PHE HE% A 39 VAL HG21 1.0 0.0 4.12 800 800 A 53 THR HG21 A 37 PHE HD% 1.0 0.0 3.37 801 801 A 11 ILE HD11 A 37 PHE HD% 1.0 0.0 2.90 802 802 A 51 ILE HG21 A 37 PHE HD% 1.0 0.0 3.35 803 803 A 70 VAL HG11 A 37 PHE HE% 1.0 0.0 3.58 804 804 A 51 ILE HD11 A 37 PHE HD% 1.0 0.0 3.98 805 805 A 9 TRP HZ3 A 65 LEU HD21 1.0 0.0 4.24 806 806 A 9 TRP HD1 A 37 PHE HE% 1.0 0.0 5.50 807 807 A 9 TRP HD1 A 38 ASN HA 1.0 0.0 5.50 808 808 A 7 THR HG21 A 9 TRP HD1 1.0 0.0 4.19 809 809 A 9 TRP HD1 A 8 ALA HB1 1.0 0.0 4.87 810 810 A 9 TRP HD1 A 72 ALA HB1 1.0 0.0 4.73 811 811 A 9 TRP HZ2 A 3 TYR HD% 1.0 0.0 5.50 812 812 A 3 TYR HA A 9 TRP HZ2 1.0 0.0 4.52 813 813 A 9 TRP HZ2 A 7 THR HB 1.0 0.0 5.23 814 814 A 7 THR HG21 A 9 TRP HZ2 1.0 0.0 3.47 815 815 A 70 VAL HG21 A 9 TRP HZ2 1.0 0.0 4.90 816 816 A 18 ILE HB A 22 TYR HD% 1.0 0.0 4.63 817 817 A 37 PHE HE% A 70 VAL HB 1.0 0.0 5.30 818 818 A 65 LEU HBy A 9 TRP HZ3 1.0 0.0 3.92 819 819 A 65 LEU HG A 9 TRP HZ3 1.0 0.0 3.84 820 820 A 70 VAL HG11 A 9 TRP HZ3 1.0 0.0 3.35 821 821 A 37 PHE HE% A 11 ILE HD11 1.0 0.0 4.46 822 822 A 37 PHE HE% A 51 ILE HG21 1.0 0.0 3.18 823 823 A 9 TRP HZ3 A 65 LEU HD11 1.0 0.0 4.24 824 824 A 37 PHE HE% A 51 ILE HB 1.0 0.0 4.02 825 825 A 50 HIS HA A 50 HIS HD2 1.0 0.0 5.50 826 826 A 49 ILE HA A 50 HIS HD2 1.0 0.0 5.50 827 827 A 59 VAL HA A 50 HIS HD2 1.0 0.0 5.50 828 828 A 48 PRO HBx A 50 HIS HD2 1.0 0.0 5.50 829 829 A 18 ILE HG1x A 22 TYR HE% 1.0 0.0 4.28 830 830 A 50 HIS HD2 A 59 VAL HB 1.0 0.0 4.48 831 831 A 65 LEU HBx A 3 TYR HD% 1.0 0.0 5.40 832 832 A 65 LEU HBy A 3 TYR HD% 1.0 0.0 5.38 833 833 A 3 TYR HD% A 65 LEU HG 1.0 0.0 5.00 834 834 A 3 TYR HD% A 49 ILE HD11 1.0 0.0 3.37 835 835 A 49 ILE HG1y A 3 TYR HD% 1.0 0.0 5.21 836 836 A 50 HIS HD2 A 59 VAL HG21 1.0 0.0 4.72 837 837 A 50 HIS HD2 A 59 VAL HG11 1.0 0.0 4.72 838 838 A 59 VAL HB A 50 HIS HE1 1.0 0.0 5.50 839 839 A 22 TYR HD% A 60 LEU HD11 1.0 0.0 3.82 840 840 A 2 GLN HBx A 2 GLN HE2x 1.0 0.0 4.17 841 840 A 2 GLN HBy A 2 GLN HE2x 1.0 0.0 4.17 842 840 A 2 GLN HE2y A 2 GLN HBx 1.0 0.0 4.17 843 840 A 2 GLN HBy A 2 GLN HE2y 1.0 0.0 4.17 844 841 A 3 TYR H A 2 GLN HBx 1.0 0.0 4.20 845 841 A 3 TYR H A 2 GLN HBy 1.0 0.0 4.20 846 842 A 3 TYR HD% A 2 GLN HBx 1.0 0.0 4.21 847 842 A 3 TYR HD% A 2 GLN HBy 1.0 0.0 4.21 848 843 A 3 TYR HE% A 2 GLN HBx 1.0 0.0 4.78 849 843 A 3 TYR HE% A 2 GLN HBy 1.0 0.0 4.78 850 844 A 4 THR HG21 A 2 GLN HBx 1.0 0.0 5.34 851 844 A 4 THR HG21 A 2 GLN HBy 1.0 0.0 5.34 852 845 A 2 GLN HE2y A 2 GLN HGy 1.0 0.0 3.16 853 845 A 2 GLN HE2x A 2 GLN HGy 1.0 0.0 3.16 854 845 A 2 GLN HGx A 2 GLN HE2x 1.0 0.0 3.16 855 845 A 2 GLN HE2y A 2 GLN HGx 1.0 0.0 3.16 856 846 A 3 TYR H A 2 GLN HGy 1.0 0.0 3.98 857 846 A 3 TYR H A 2 GLN HGx 1.0 0.0 3.98 858 847 A 3 TYR HE% A 2 GLN HGy 1.0 0.0 5.15 859 847 A 3 TYR HE% A 2 GLN HGx 1.0 0.0 5.15 860 848 A 4 THR HG21 A 2 GLN HGy 1.0 0.0 5.34 861 848 A 4 THR HG21 A 2 GLN HGx 1.0 0.0 5.34 862 849 A 2 GLN HGx A 65 LEU HD21 1.0 0.0 5.28 863 849 A 2 GLN HGy A 65 LEU HD21 1.0 0.0 5.28 864 849 A 65 LEU HD11 A 2 GLN HGy 1.0 0.0 5.28 865 849 A 2 GLN HGx A 65 LEU HD11 1.0 0.0 5.28 866 850 A 3 TYR HD% A 2 GLN HE2x 1.0 0.0 4.36 867 850 A 3 TYR HD% A 2 GLN HE2y 1.0 0.0 4.36 868 851 A 3 TYR HE% A 2 GLN HE2x 1.0 0.0 4.44 869 851 A 3 TYR HE% A 2 GLN HE2y 1.0 0.0 4.44 870 852 A 4 THR HG21 A 2 GLN HE2x 1.0 0.0 5.34 871 852 A 4 THR HG21 A 2 GLN HE2y 1.0 0.0 5.34 872 853 A 4 THR H A 3 TYR HBy 1.0 0.0 4.45 873 853 A 4 THR H A 3 TYR HBx 1.0 0.0 4.45 874 854 A 3 TYR HBy A 42 VAL HG11 1.0 0.0 3.46 875 854 A 42 VAL HG21 A 3 TYR HBy 1.0 0.0 3.46 876 854 A 3 TYR HBx A 42 VAL HG21 1.0 0.0 3.46 877 854 A 3 TYR HBx A 42 VAL HG11 1.0 0.0 3.46 878 855 A 49 ILE HG21 A 3 TYR HBy 1.0 0.0 4.27 879 855 A 49 ILE HG21 A 3 TYR HBx 1.0 0.0 4.27 880 856 A 49 ILE HD11 A 3 TYR HBy 1.0 0.0 3.64 881 856 A 49 ILE HD11 A 3 TYR HBx 1.0 0.0 3.64 882 857 A 3 TYR HD% A 42 VAL HG11 1.0 0.0 4.48 883 857 A 3 TYR HD% A 42 VAL HG21 1.0 0.0 4.48 884 858 A 3 TYR HD% A 65 LEU HD21 1.0 0.0 4.14 885 858 A 3 TYR HD% A 65 LEU HD11 1.0 0.0 4.14 886 859 A 3 TYR HE% A 65 LEU HD21 1.0 0.0 4.13 887 859 A 3 TYR HE% A 65 LEU HD11 1.0 0.0 4.13 888 860 A 4 THR HA A 42 VAL HG11 1.0 0.0 3.55 889 860 A 4 THR HA A 42 VAL HG21 1.0 0.0 3.55 890 861 A 4 THR HG21 A 42 VAL HG11 1.0 0.0 4.77 891 861 A 4 THR HG21 A 42 VAL HG21 1.0 0.0 4.77 892 862 A 5 PRO HA A 42 VAL HG11 1.0 0.0 5.44 893 862 A 5 PRO HA A 42 VAL HG21 1.0 0.0 5.44 894 863 A 6 ASP H A 5 PRO HBy 1.0 0.0 3.92 895 863 A 6 ASP H A 5 PRO HBx 1.0 0.0 3.92 896 864 A 41 ARG HA A 5 PRO HBy 1.0 0.0 4.21 897 864 A 41 ARG HA A 5 PRO HBx 1.0 0.0 4.21 898 865 A 42 VAL H A 5 PRO HBy 1.0 0.0 4.12 899 865 A 42 VAL H A 5 PRO HBx 1.0 0.0 4.12 900 866 A 5 PRO HBx A 42 VAL HG11 1.0 0.0 4.01 901 866 A 5 PRO HBy A 42 VAL HG11 1.0 0.0 4.01 902 866 A 42 VAL HG21 A 5 PRO HBy 1.0 0.0 4.01 903 866 A 42 VAL HG21 A 5 PRO HBx 1.0 0.0 4.01 904 867 A 6 ASP H A 5 PRO HGx 1.0 0.0 4.24 905 867 A 6 ASP H A 5 PRO HGy 1.0 0.0 4.24 906 868 A 5 PRO HGy A 42 VAL HG11 1.0 0.0 5.28 907 868 A 42 VAL HG21 A 5 PRO HGx 1.0 0.0 5.28 908 868 A 42 VAL HG21 A 5 PRO HGy 1.0 0.0 5.28 909 868 A 5 PRO HGx A 42 VAL HG11 1.0 0.0 5.28 910 869 A 5 PRO HDy A 42 VAL HG11 1.0 0.0 3.97 911 869 A 5 PRO HDy A 42 VAL HG21 1.0 0.0 3.97 912 870 A 6 ASP HA A 6 ASP HBx 1.0 0.0 2.63 913 870 A 6 ASP HA A 6 ASP HBy 1.0 0.0 2.63 914 871 A 8 ALA HA A 38 ASN HBx 1.0 0.0 5.34 915 871 A 8 ALA HA A 38 ASN HBy 1.0 0.0 5.34 916 872 A 8 ALA HB1 A 73 VAL HG11 1.0 0.0 3.98 917 872 A 8 ALA HB1 A 73 VAL HG21 1.0 0.0 3.98 918 873 A 9 TRP H A 9 TRP HBx 1.0 0.0 3.65 919 873 A 9 TRP H A 9 TRP HBy 1.0 0.0 3.65 920 874 A 9 TRP H A 36 SER HBy 1.0 0.0 5.34 921 874 A 9 TRP H A 36 SER HBx 1.0 0.0 5.34 922 875 A 9 TRP HA A 73 VAL HG11 1.0 0.0 3.83 923 875 A 9 TRP HA A 73 VAL HG21 1.0 0.0 3.83 924 876 A 10 LYS H A 9 TRP HBx 1.0 0.0 3.96 925 876 A 10 LYS H A 9 TRP HBy 1.0 0.0 3.96 926 877 A 37 PHE H A 9 TRP HBx 1.0 0.0 4.71 927 877 A 37 PHE H A 9 TRP HBy 1.0 0.0 4.71 928 878 A 37 PHE HE% A 9 TRP HBx 1.0 0.0 4.34 929 878 A 37 PHE HE% A 9 TRP HBy 1.0 0.0 4.34 930 879 A 70 VAL HG11 A 9 TRP HBx 1.0 0.0 3.80 931 879 A 70 VAL HG11 A 9 TRP HBy 1.0 0.0 3.80 932 880 A 70 VAL HG21 A 9 TRP HBx 1.0 0.0 4.29 933 880 A 70 VAL HG21 A 9 TRP HBy 1.0 0.0 4.29 934 881 A 71 GLU H A 9 TRP HBx 1.0 0.0 4.53 935 881 A 71 GLU H A 9 TRP HBy 1.0 0.0 4.53 936 882 A 9 TRP HD1 A 73 VAL HG11 1.0 0.0 4.91 937 882 A 9 TRP HD1 A 73 VAL HG21 1.0 0.0 4.91 938 883 A 9 TRP HZ3 A 65 LEU HD21 1.0 0.0 3.67 939 883 A 9 TRP HZ3 A 65 LEU HD11 1.0 0.0 3.67 940 884 A 9 TRP HH2 A 65 LEU HD21 1.0 0.0 5.44 941 884 A 9 TRP HH2 A 65 LEU HD11 1.0 0.0 5.44 942 885 A 10 LYS H A 10 LYS HBx 1.0 0.0 3.56 943 885 A 10 LYS H A 10 LYS HBy 1.0 0.0 3.56 944 886 A 10 LYS H A 73 VAL HG11 1.0 0.0 4.00 945 886 A 10 LYS H A 73 VAL HG21 1.0 0.0 4.00 946 887 A 10 LYS HA A 10 LYS HGx 1.0 0.0 3.63 947 887 A 10 LYS HA A 10 LYS HGy 1.0 0.0 3.63 948 888 A 10 LYS HA A 36 SER HBy 1.0 0.0 4.03 949 888 A 10 LYS HA A 36 SER HBx 1.0 0.0 4.03 950 889 A 10 LYS HA A 73 VAL HG11 1.0 0.0 4.35 951 889 A 10 LYS HA A 73 VAL HG21 1.0 0.0 4.35 952 890 A 10 LYS HBx A 10 LYS HEy 1.0 0.0 3.94 953 890 A 10 LYS HBy A 10 LYS HEy 1.0 0.0 3.94 954 890 A 10 LYS HEx A 10 LYS HBx 1.0 0.0 3.94 955 890 A 10 LYS HBy A 10 LYS HEx 1.0 0.0 3.94 956 891 A 11 ILE H A 10 LYS HBx 1.0 0.0 4.35 957 891 A 11 ILE H A 10 LYS HBy 1.0 0.0 4.35 958 892 A 36 SER HA A 10 LYS HBx 1.0 0.0 5.12 959 892 A 36 SER HA A 10 LYS HBy 1.0 0.0 5.12 960 893 A 71 GLU H A 10 LYS HBx 1.0 0.0 4.70 961 893 A 71 GLU H A 10 LYS HBy 1.0 0.0 4.70 962 894 A 10 LYS HBx A 73 VAL HG11 1.0 0.0 3.41 963 894 A 10 LYS HBy A 73 VAL HG11 1.0 0.0 3.41 964 894 A 73 VAL HG21 A 10 LYS HBx 1.0 0.0 3.41 965 894 A 73 VAL HG21 A 10 LYS HBy 1.0 0.0 3.41 966 895 A 10 LYS HEx A 10 LYS HGx 1.0 0.0 3.31 967 895 A 10 LYS HEy A 10 LYS HGx 1.0 0.0 3.31 968 895 A 10 LYS HGy A 10 LYS HEy 1.0 0.0 3.31 969 895 A 10 LYS HGy A 10 LYS HEx 1.0 0.0 3.31 970 896 A 11 ILE H A 10 LYS HGx 1.0 0.0 3.46 971 896 A 11 ILE H A 10 LYS HGy 1.0 0.0 3.46 972 897 A 11 ILE H A 10 LYS HDx 1.0 0.0 5.34 973 897 A 11 ILE H A 10 LYS HDy 1.0 0.0 5.34 974 898 A 10 LYS HDy A 73 VAL HG11 1.0 0.0 5.28 975 898 A 10 LYS HDx A 73 VAL HG11 1.0 0.0 5.28 976 898 A 73 VAL HG21 A 10 LYS HDx 1.0 0.0 5.28 977 898 A 73 VAL HG21 A 10 LYS HDy 1.0 0.0 5.28 978 899 A 10 LYS HEy A 73 VAL HG11 1.0 0.0 4.08 979 899 A 10 LYS HEx A 73 VAL HG11 1.0 0.0 4.08 980 899 A 73 VAL HG21 A 10 LYS HEy 1.0 0.0 4.08 981 899 A 73 VAL HG21 A 10 LYS HEx 1.0 0.0 4.08 982 900 A 11 ILE H A 36 SER HBy 1.0 0.0 5.34 983 900 A 11 ILE H A 36 SER HBx 1.0 0.0 5.34 984 901 A 11 ILE HG21 A 13 GLY HAx 1.0 0.0 5.34 985 901 A 11 ILE HG21 A 13 GLY HAy 1.0 0.0 5.34 986 902 A 11 ILE HG21 A 33 PRO HBy 1.0 0.0 3.38 987 902 A 11 ILE HG21 A 33 PRO HBx 1.0 0.0 3.38 988 903 A 11 ILE HG21 A 33 PRO HDy 1.0 0.0 5.35 989 903 A 11 ILE HG21 A 33 PRO HDx 1.0 0.0 5.35 990 904 A 11 ILE HD11 A 35 SER HBy 1.0 0.0 4.45 991 904 A 11 ILE HD11 A 35 SER HBx 1.0 0.0 4.45 992 905 A 12 THR HB A 69 GLU HBy 1.0 0.0 5.10 993 905 A 12 THR HB A 69 GLU HBx 1.0 0.0 5.10 994 906 A 12 THR HG21 A 69 GLU HBy 1.0 0.0 4.22 995 906 A 12 THR HG21 A 69 GLU HBx 1.0 0.0 4.22 996 907 A 13 GLY H A 69 GLU HBy 1.0 0.0 3.65 997 907 A 13 GLY H A 69 GLU HBx 1.0 0.0 3.65 998 908 A 13 GLY H A 69 GLU HGy 1.0 0.0 5.34 999 908 A 13 GLY H A 69 GLU HGx 1.0 0.0 5.34 1000 909 A 69 GLU H A 13 GLY HAx 1.0 0.0 5.34 1001 909 A 69 GLU H A 13 GLY HAy 1.0 0.0 5.34 1002 910 A 14 PHE H A 69 GLU HBy 1.0 0.0 5.33 1003 910 A 14 PHE H A 69 GLU HBx 1.0 0.0 5.33 1004 911 A 14 PHE HA A 68 LEU HD21 1.0 0.0 3.99 1005 911 A 14 PHE HA A 68 LEU HD11 1.0 0.0 3.99 1006 912 A 14 PHE HA A 69 GLU HGy 1.0 0.0 4.69 1007 912 A 14 PHE HA A 69 GLU HGx 1.0 0.0 4.69 1008 913 A 14 PHE HBy A 68 LEU HD21 1.0 0.0 3.29 1009 913 A 14 PHE HBy A 68 LEU HD11 1.0 0.0 3.29 1010 914 A 14 PHE HD% A 15 SER HBy 1.0 0.0 5.34 1011 914 A 14 PHE HD% A 15 SER HBx 1.0 0.0 5.34 1012 915 A 14 PHE HD% A 23 ARG HGx 1.0 0.0 3.45 1013 915 A 14 PHE HD% A 23 ARG HGy 1.0 0.0 3.45 1014 916 A 14 PHE HD% A 23 ARG HDy 1.0 0.0 4.19 1015 916 A 14 PHE HD% A 23 ARG HDx 1.0 0.0 4.19 1016 917 A 14 PHE HD% A 32 LEU HD21 1.0 0.0 4.60 1017 917 A 14 PHE HD% A 32 LEU HD11 1.0 0.0 4.60 1018 918 A 14 PHE HE% A 23 ARG HGx 1.0 0.0 3.66 1019 918 A 14 PHE HE% A 23 ARG HGy 1.0 0.0 3.66 1020 919 A 14 PHE HE% A 32 LEU HD21 1.0 0.0 4.10 1021 919 A 14 PHE HE% A 32 LEU HD11 1.0 0.0 4.10 1022 920 A 15 SER H A 68 LEU HD21 1.0 0.0 3.92 1023 920 A 15 SER H A 68 LEU HD11 1.0 0.0 3.92 1024 921 A 15 SER H A 69 GLU HGy 1.0 0.0 4.70 1025 921 A 15 SER H A 69 GLU HGx 1.0 0.0 4.70 1026 922 A 15 SER HA A 15 SER HBy 1.0 0.0 2.58 1027 922 A 15 SER HA A 15 SER HBx 1.0 0.0 2.58 1028 923 A 15 SER HA A 16 ARG HGy 1.0 0.0 5.34 1029 923 A 15 SER HA A 16 ARG HGx 1.0 0.0 5.34 1030 924 A 15 SER HA A 67 LEU HD21 1.0 0.0 5.19 1031 924 A 15 SER HA A 67 LEU HD11 1.0 0.0 5.19 1032 925 A 15 SER HA A 69 GLU HGy 1.0 0.0 3.93 1033 925 A 15 SER HA A 69 GLU HGx 1.0 0.0 3.93 1034 926 A 16 ARG H A 15 SER HBy 1.0 0.0 4.14 1035 926 A 16 ARG H A 15 SER HBx 1.0 0.0 4.14 1036 927 A 17 GLU H A 15 SER HBy 1.0 0.0 3.86 1037 927 A 17 GLU H A 15 SER HBx 1.0 0.0 3.86 1038 928 A 17 GLU HBy A 15 SER HBy 1.0 0.0 4.68 1039 928 A 17 GLU HBy A 15 SER HBx 1.0 0.0 4.68 1040 929 A 18 ILE H A 15 SER HBy 1.0 0.0 4.09 1041 929 A 18 ILE H A 15 SER HBx 1.0 0.0 4.09 1042 930 A 18 ILE HG21 A 15 SER HBy 1.0 0.0 4.99 1043 930 A 18 ILE HG21 A 15 SER HBx 1.0 0.0 4.99 1044 931 A 18 ILE HG1x A 15 SER HBy 1.0 0.0 5.34 1045 931 A 18 ILE HG1x A 15 SER HBx 1.0 0.0 5.34 1046 932 A 67 LEU HA A 15 SER HBy 1.0 0.0 4.35 1047 932 A 67 LEU HA A 15 SER HBx 1.0 0.0 4.35 1048 933 A 15 SER HBy A 67 LEU HD21 1.0 0.0 3.59 1049 933 A 15 SER HBx A 67 LEU HD21 1.0 0.0 3.59 1050 933 A 67 LEU HD11 A 15 SER HBy 1.0 0.0 3.59 1051 933 A 15 SER HBx A 67 LEU HD11 1.0 0.0 3.59 1052 934 A 69 GLU H A 15 SER HBy 1.0 0.0 5.34 1053 934 A 69 GLU H A 15 SER HBx 1.0 0.0 5.34 1054 935 A 15 SER HBx A 69 GLU HGy 1.0 0.0 4.64 1055 935 A 15 SER HBy A 69 GLU HGy 1.0 0.0 4.64 1056 935 A 69 GLU HGx A 15 SER HBy 1.0 0.0 4.64 1057 935 A 69 GLU HGx A 15 SER HBx 1.0 0.0 4.64 1058 936 A 16 ARG H A 16 ARG HBx 1.0 0.0 3.65 1059 936 A 16 ARG H A 16 ARG HBy 1.0 0.0 3.65 1060 937 A 16 ARG H A 16 ARG HGy 1.0 0.0 4.23 1061 937 A 16 ARG H A 16 ARG HGx 1.0 0.0 4.23 1062 938 A 16 ARG HA A 16 ARG HGy 1.0 0.0 3.61 1063 938 A 16 ARG HA A 16 ARG HGx 1.0 0.0 3.61 1064 939 A 16 ARG HA A 16 ARG HDy 1.0 0.0 4.84 1065 939 A 16 ARG HA A 16 ARG HDx 1.0 0.0 4.84 1066 940 A 17 GLU H A 16 ARG HBx 1.0 0.0 3.94 1067 940 A 17 GLU H A 16 ARG HBy 1.0 0.0 3.94 1068 941 A 17 GLU HA A 17 GLU HGx 1.0 0.0 3.46 1069 941 A 17 GLU HA A 17 GLU HGy 1.0 0.0 3.46 1070 942 A 17 GLU HBy A 67 LEU HD21 1.0 0.0 3.31 1071 942 A 17 GLU HBy A 67 LEU HD11 1.0 0.0 3.31 1072 943 A 17 GLU HGx A 67 LEU HD21 1.0 0.0 3.83 1073 943 A 17 GLU HGy A 67 LEU HD21 1.0 0.0 3.83 1074 943 A 67 LEU HD11 A 17 GLU HGx 1.0 0.0 3.83 1075 943 A 67 LEU HD11 A 17 GLU HGy 1.0 0.0 3.83 1076 944 A 18 ILE H A 67 LEU HD21 1.0 0.0 4.22 1077 944 A 18 ILE H A 67 LEU HD11 1.0 0.0 4.22 1078 945 A 18 ILE HG21 A 19 SER HBx 1.0 0.0 5.18 1079 945 A 18 ILE HG21 A 19 SER HBy 1.0 0.0 5.18 1080 946 A 18 ILE HG21 A 23 ARG HGx 1.0 0.0 3.00 1081 946 A 18 ILE HG21 A 23 ARG HGy 1.0 0.0 3.00 1082 947 A 18 ILE HG21 A 23 ARG HDy 1.0 0.0 3.90 1083 947 A 18 ILE HG21 A 23 ARG HDx 1.0 0.0 3.90 1084 948 A 18 ILE HG1x A 68 LEU HD21 1.0 0.0 5.11 1085 948 A 18 ILE HG1x A 68 LEU HD11 1.0 0.0 5.11 1086 949 A 18 ILE HD11 A 19 SER HBx 1.0 0.0 5.34 1087 949 A 18 ILE HD11 A 19 SER HBy 1.0 0.0 5.34 1088 950 A 19 SER H A 19 SER HBx 1.0 0.0 3.59 1089 950 A 19 SER H A 19 SER HBy 1.0 0.0 3.59 1090 951 A 22 TYR H A 19 SER HBx 1.0 0.0 3.93 1091 951 A 22 TYR H A 19 SER HBy 1.0 0.0 3.93 1092 952 A 22 TYR HBy A 19 SER HBx 1.0 0.0 4.63 1093 952 A 22 TYR HBy A 19 SER HBy 1.0 0.0 4.63 1094 953 A 20 PRO HA A 23 ARG HDy 1.0 0.0 4.68 1095 953 A 20 PRO HA A 23 ARG HDx 1.0 0.0 4.68 1096 954 A 21 ALA HA A 24 GLN HBx 1.0 0.0 3.71 1097 954 A 21 ALA HA A 24 GLN HBy 1.0 0.0 3.71 1098 955 A 21 ALA HA A 24 GLN HGy 1.0 0.0 4.77 1099 955 A 21 ALA HA A 24 GLN HGx 1.0 0.0 4.77 1100 956 A 21 ALA HB1 A 24 GLN HBx 1.0 0.0 4.61 1101 956 A 21 ALA HB1 A 24 GLN HBy 1.0 0.0 4.61 1102 957 A 22 TYR HA A 25 LYS HBx 1.0 0.0 4.02 1103 957 A 22 TYR HA A 25 LYS HBy 1.0 0.0 4.02 1104 958 A 22 TYR HA A 25 LYS HGx 1.0 0.0 4.99 1105 958 A 22 TYR HA A 25 LYS HGy 1.0 0.0 4.99 1106 959 A 22 TYR HBx A 58 LEU HD21 1.0 0.0 5.12 1107 959 A 22 TYR HBx A 58 LEU HD11 1.0 0.0 5.12 1108 960 A 22 TYR HD% A 25 LYS HBx 1.0 0.0 5.34 1109 960 A 22 TYR HD% A 25 LYS HBy 1.0 0.0 5.34 1110 961 A 22 TYR HD% A 58 LEU HD21 1.0 0.0 3.60 1111 961 A 22 TYR HD% A 58 LEU HD11 1.0 0.0 3.60 1112 962 A 22 TYR HD% A 60 LEU HD21 1.0 0.0 3.07 1113 962 A 22 TYR HD% A 60 LEU HD11 1.0 0.0 3.07 1114 963 A 22 TYR HE% A 23 ARG HGx 1.0 0.0 5.34 1115 963 A 22 TYR HE% A 23 ARG HGy 1.0 0.0 5.34 1116 964 A 22 TYR HE% A 58 LEU HBx 1.0 0.0 5.34 1117 964 A 22 TYR HE% A 58 LEU HBy 1.0 0.0 5.34 1118 965 A 22 TYR HE% A 58 LEU HD21 1.0 0.0 3.54 1119 965 A 22 TYR HE% A 58 LEU HD11 1.0 0.0 3.54 1120 966 A 22 TYR HE% A 60 LEU HD21 1.0 0.0 3.29 1121 966 A 22 TYR HE% A 60 LEU HD11 1.0 0.0 3.29 1122 967 A 22 TYR HE% A 65 LEU HD21 1.0 0.0 5.44 1123 967 A 22 TYR HE% A 65 LEU HD11 1.0 0.0 5.44 1124 968 A 23 ARG H A 23 ARG HGx 1.0 0.0 5.34 1125 968 A 23 ARG H A 23 ARG HGy 1.0 0.0 5.34 1126 969 A 23 ARG H A 24 GLN HBx 1.0 0.0 4.94 1127 969 A 23 ARG H A 24 GLN HBy 1.0 0.0 4.94 1128 970 A 23 ARG HA A 23 ARG HGx 1.0 0.0 3.64 1129 970 A 23 ARG HA A 23 ARG HGy 1.0 0.0 3.64 1130 971 A 23 ARG HBy A 23 ARG HDy 1.0 0.0 3.29 1131 971 A 23 ARG HBy A 23 ARG HDx 1.0 0.0 3.29 1132 972 A 24 GLN H A 23 ARG HGx 1.0 0.0 4.52 1133 972 A 24 GLN H A 23 ARG HGy 1.0 0.0 4.52 1134 973 A 24 GLN H A 23 ARG HDy 1.0 0.0 5.34 1135 973 A 24 GLN H A 23 ARG HDx 1.0 0.0 5.34 1136 974 A 24 GLN H A 24 GLN HBx 1.0 0.0 3.05 1137 974 A 24 GLN H A 24 GLN HBy 1.0 0.0 3.05 1138 975 A 24 GLN H A 24 GLN HGy 1.0 0.0 4.50 1139 975 A 24 GLN H A 24 GLN HGx 1.0 0.0 4.50 1140 976 A 24 GLN H A 27 LEU HD21 1.0 0.0 5.44 1141 976 A 24 GLN H A 27 LEU HD11 1.0 0.0 5.44 1142 977 A 24 GLN HA A 24 GLN HGy 1.0 0.0 3.50 1143 977 A 24 GLN HA A 24 GLN HGx 1.0 0.0 3.50 1144 978 A 24 GLN HA A 24 GLN HE2x 1.0 0.0 5.34 1145 978 A 24 GLN HA A 24 GLN HE2y 1.0 0.0 5.34 1146 979 A 24 GLN HA A 27 LEU HBx 1.0 0.0 4.20 1147 979 A 24 GLN HA A 27 LEU HBy 1.0 0.0 4.20 1148 980 A 24 GLN HA A 27 LEU HD21 1.0 0.0 3.66 1149 980 A 24 GLN HA A 27 LEU HD11 1.0 0.0 3.66 1150 981 A 24 GLN HBy A 24 GLN HGy 1.0 0.0 2.37 1151 981 A 24 GLN HGx A 24 GLN HBx 1.0 0.0 2.37 1152 981 A 24 GLN HBy A 24 GLN HGx 1.0 0.0 2.37 1153 981 A 24 GLN HBx A 24 GLN HGy 1.0 0.0 2.37 1154 982 A 25 LYS H A 24 GLN HBx 1.0 0.0 3.37 1155 982 A 25 LYS H A 24 GLN HBy 1.0 0.0 3.37 1156 983 A 26 LEU H A 24 GLN HBx 1.0 0.0 5.29 1157 983 A 26 LEU H A 24 GLN HBy 1.0 0.0 5.29 1158 984 A 27 LEU H A 24 GLN HBx 1.0 0.0 5.34 1159 984 A 27 LEU H A 24 GLN HBy 1.0 0.0 5.34 1160 985 A 24 GLN HBy A 27 LEU HD21 1.0 0.0 4.73 1161 985 A 24 GLN HBx A 27 LEU HD21 1.0 0.0 4.73 1162 985 A 27 LEU HD11 A 24 GLN HBx 1.0 0.0 4.73 1163 985 A 24 GLN HBy A 27 LEU HD11 1.0 0.0 4.73 1164 986 A 24 GLN HGy A 27 LEU HBx 1.0 0.0 3.72 1165 986 A 27 LEU HBy A 24 GLN HGy 1.0 0.0 3.72 1166 986 A 24 GLN HGx A 27 LEU HBy 1.0 0.0 3.72 1167 986 A 24 GLN HGx A 27 LEU HBx 1.0 0.0 3.72 1168 987 A 24 GLN HGy A 27 LEU HD21 1.0 0.0 4.12 1169 987 A 27 LEU HD11 A 24 GLN HGy 1.0 0.0 4.12 1170 987 A 24 GLN HGx A 27 LEU HD11 1.0 0.0 4.12 1171 987 A 24 GLN HGx A 27 LEU HD21 1.0 0.0 4.12 1172 988 A 24 GLN HE2y A 27 LEU HD21 1.0 0.0 4.31 1173 988 A 24 GLN HE2x A 27 LEU HD21 1.0 0.0 4.31 1174 988 A 27 LEU HD11 A 24 GLN HE2x 1.0 0.0 4.31 1175 988 A 27 LEU HD11 A 24 GLN HE2y 1.0 0.0 4.31 1176 989 A 25 LYS H A 25 LYS HBx 1.0 0.0 3.01 1177 989 A 25 LYS H A 25 LYS HBy 1.0 0.0 3.01 1178 990 A 25 LYS H A 25 LYS HGx 1.0 0.0 4.45 1179 990 A 25 LYS H A 25 LYS HGy 1.0 0.0 4.45 1180 991 A 25 LYS HA A 25 LYS HGx 1.0 0.0 3.64 1181 991 A 25 LYS HA A 25 LYS HGy 1.0 0.0 3.64 1182 992 A 25 LYS HA A 29 LEU HD21 1.0 0.0 4.77 1183 992 A 25 LYS HA A 29 LEU HD11 1.0 0.0 4.77 1184 993 A 25 LYS HBy A 25 LYS HEy 1.0 0.0 4.89 1185 993 A 25 LYS HBx A 25 LYS HEy 1.0 0.0 4.89 1186 993 A 25 LYS HEx A 25 LYS HBx 1.0 0.0 4.89 1187 993 A 25 LYS HBy A 25 LYS HEx 1.0 0.0 4.89 1188 994 A 26 LEU H A 25 LYS HBx 1.0 0.0 3.74 1189 994 A 26 LEU H A 25 LYS HBy 1.0 0.0 3.74 1190 995 A 26 LEU HD21 A 25 LYS HBx 1.0 0.0 3.44 1191 995 A 26 LEU HD21 A 25 LYS HBy 1.0 0.0 3.44 1192 996 A 25 LYS HBy A 29 LEU HD21 1.0 0.0 4.95 1193 996 A 29 LEU HD11 A 25 LYS HBx 1.0 0.0 4.95 1194 996 A 25 LYS HBy A 29 LEU HD11 1.0 0.0 4.95 1195 996 A 25 LYS HBx A 29 LEU HD21 1.0 0.0 4.95 1196 997 A 25 LYS HBy A 58 LEU HD21 1.0 0.0 5.28 1197 997 A 25 LYS HBx A 58 LEU HD21 1.0 0.0 5.28 1198 997 A 58 LEU HD11 A 25 LYS HBx 1.0 0.0 5.28 1199 997 A 25 LYS HBy A 58 LEU HD11 1.0 0.0 5.28 1200 998 A 26 LEU H A 25 LYS HGx 1.0 0.0 4.70 1201 998 A 26 LEU H A 25 LYS HGy 1.0 0.0 4.70 1202 999 A 26 LEU HA A 29 LEU HD21 1.0 0.0 3.82 1203 999 A 26 LEU HA A 29 LEU HD11 1.0 0.0 3.82 1204 1000 A 26 LEU HA A 32 LEU HD21 1.0 0.0 4.59 1205 1000 A 26 LEU HA A 32 LEU HD11 1.0 0.0 4.59 1206 1001 A 26 LEU HBy A 32 LEU HD21 1.0 0.0 3.55 1207 1001 A 26 LEU HBy A 32 LEU HD11 1.0 0.0 3.55 1208 1002 A 27 LEU H A 27 LEU HBx 1.0 0.0 2.91 1209 1002 A 27 LEU H A 27 LEU HBy 1.0 0.0 2.91 1210 1003 A 27 LEU H A 27 LEU HD21 1.0 0.0 3.76 1211 1003 A 27 LEU H A 27 LEU HD11 1.0 0.0 3.76 1212 1004 A 27 LEU HA A 27 LEU HD21 1.0 0.0 3.61 1213 1004 A 27 LEU HA A 27 LEU HD11 1.0 0.0 3.61 1214 1005 A 27 LEU HBx A 27 LEU HD21 1.0 0.0 2.66 1215 1005 A 27 LEU HBy A 27 LEU HD21 1.0 0.0 2.66 1216 1005 A 27 LEU HD11 A 27 LEU HBx 1.0 0.0 2.66 1217 1005 A 27 LEU HD11 A 27 LEU HBy 1.0 0.0 2.66 1218 1006 A 28 SER H A 27 LEU HBx 1.0 0.0 3.53 1219 1006 A 28 SER H A 27 LEU HBy 1.0 0.0 3.53 1220 1007 A 28 SER H A 27 LEU HD21 1.0 0.0 4.68 1221 1007 A 28 SER H A 27 LEU HD11 1.0 0.0 4.68 1222 1008 A 28 SER H A 28 SER HBy 1.0 0.0 3.23 1223 1008 A 28 SER H A 28 SER HBx 1.0 0.0 3.23 1224 1009 A 28 SER H A 29 LEU HD21 1.0 0.0 5.44 1225 1009 A 28 SER H A 29 LEU HD11 1.0 0.0 5.44 1226 1010 A 29 LEU H A 28 SER HBy 1.0 0.0 3.94 1227 1010 A 29 LEU H A 28 SER HBx 1.0 0.0 3.94 1228 1011 A 28 SER HBx A 29 LEU HD21 1.0 0.0 4.36 1229 1011 A 28 SER HBy A 29 LEU HD21 1.0 0.0 4.36 1230 1011 A 29 LEU HD11 A 28 SER HBy 1.0 0.0 4.36 1231 1011 A 29 LEU HD11 A 28 SER HBx 1.0 0.0 4.36 1232 1012 A 29 LEU H A 29 LEU HBx 1.0 0.0 3.28 1233 1012 A 29 LEU H A 29 LEU HBy 1.0 0.0 3.28 1234 1013 A 29 LEU H A 29 LEU HD21 1.0 0.0 3.47 1235 1013 A 29 LEU H A 29 LEU HD11 1.0 0.0 3.47 1236 1014 A 29 LEU HBy A 29 LEU HD21 1.0 0.0 2.73 1237 1014 A 29 LEU HBx A 29 LEU HD21 1.0 0.0 2.73 1238 1014 A 29 LEU HD11 A 29 LEU HBx 1.0 0.0 2.73 1239 1014 A 29 LEU HD11 A 29 LEU HBy 1.0 0.0 2.73 1240 1015 A 30 GLY H A 29 LEU HBx 1.0 0.0 3.87 1241 1015 A 30 GLY H A 29 LEU HBy 1.0 0.0 3.87 1242 1016 A 30 GLY H A 29 LEU HD21 1.0 0.0 4.66 1243 1016 A 30 GLY H A 29 LEU HD11 1.0 0.0 4.66 1244 1017 A 31 MET H A 29 LEU HD21 1.0 0.0 4.12 1245 1017 A 31 MET H A 29 LEU HD11 1.0 0.0 4.12 1246 1018 A 31 MET HA A 29 LEU HD21 1.0 0.0 4.88 1247 1018 A 31 MET HA A 29 LEU HD11 1.0 0.0 4.88 1248 1019 A 29 LEU HD11 A 31 MET HBy 1.0 0.0 3.89 1249 1019 A 31 MET HBx A 29 LEU HD21 1.0 0.0 3.89 1250 1019 A 29 LEU HD11 A 31 MET HBx 1.0 0.0 3.89 1251 1019 A 29 LEU HD21 A 31 MET HBy 1.0 0.0 3.89 1252 1020 A 29 LEU HD21 A 31 MET HGx 1.0 0.0 4.02 1253 1020 A 29 LEU HD11 A 31 MET HGx 1.0 0.0 4.02 1254 1020 A 31 MET HGy A 29 LEU HD21 1.0 0.0 4.02 1255 1020 A 29 LEU HD11 A 31 MET HGy 1.0 0.0 4.02 1256 1021 A 32 LEU H A 29 LEU HD21 1.0 0.0 4.25 1257 1021 A 32 LEU H A 29 LEU HD11 1.0 0.0 4.25 1258 1022 A 32 LEU HA A 29 LEU HD21 1.0 0.0 5.04 1259 1022 A 32 LEU HA A 29 LEU HD11 1.0 0.0 5.04 1260 1023 A 30 GLY HAx A 32 LEU HD21 1.0 0.0 3.32 1261 1023 A 30 GLY HAx A 32 LEU HD11 1.0 0.0 3.32 1262 1024 A 30 GLY HAy A 32 LEU HD21 1.0 0.0 4.88 1263 1024 A 32 LEU HD11 A 30 GLY HAy 1.0 0.0 4.88 1264 1025 A 31 MET H A 31 MET HGx 1.0 0.0 4.55 1265 1025 A 31 MET H A 31 MET HGy 1.0 0.0 4.55 1266 1026 A 31 MET HBy A 31 MET HGx 1.0 0.0 2.31 1267 1026 A 31 MET HBx A 31 MET HGx 1.0 0.0 2.31 1268 1026 A 31 MET HGy A 31 MET HBy 1.0 0.0 2.31 1269 1026 A 31 MET HBx A 31 MET HGy 1.0 0.0 2.31 1270 1027 A 32 LEU H A 31 MET HBy 1.0 0.0 4.26 1271 1027 A 32 LEU H A 31 MET HBx 1.0 0.0 4.26 1272 1028 A 32 LEU H A 33 PRO HDy 1.0 0.0 4.58 1273 1028 A 32 LEU H A 33 PRO HDx 1.0 0.0 4.58 1274 1029 A 32 LEU HA A 32 LEU HD21 1.0 0.0 2.95 1275 1029 A 32 LEU HA A 32 LEU HD11 1.0 0.0 2.95 1276 1030 A 32 LEU HBx A 33 PRO HDy 1.0 0.0 5.35 1277 1030 A 32 LEU HBx A 33 PRO HDx 1.0 0.0 5.35 1278 1031 A 32 LEU HBy A 32 LEU HD21 1.0 0.0 3.00 1279 1031 A 32 LEU HBy A 32 LEU HD11 1.0 0.0 3.00 1280 1032 A 32 LEU HD21 A 33 PRO HDy 1.0 0.0 3.48 1281 1032 A 32 LEU HD11 A 33 PRO HDy 1.0 0.0 3.48 1282 1032 A 33 PRO HDx A 32 LEU HD21 1.0 0.0 3.48 1283 1032 A 33 PRO HDx A 32 LEU HD11 1.0 0.0 3.48 1284 1033 A 34 GLY H A 33 PRO HBy 1.0 0.0 3.95 1285 1033 A 34 GLY H A 33 PRO HBx 1.0 0.0 3.95 1286 1034 A 33 PRO HBx A 34 GLY HAx 1.0 0.0 5.18 1287 1034 A 33 PRO HBy A 34 GLY HAx 1.0 0.0 5.18 1288 1034 A 34 GLY HAy A 33 PRO HBy 1.0 0.0 5.18 1289 1034 A 33 PRO HBx A 34 GLY HAy 1.0 0.0 5.18 1290 1035 A 33 PRO HGx A 34 GLY HAx 1.0 0.0 5.50 1291 1035 A 34 GLY HAy A 33 PRO HGx 1.0 0.0 5.50 1292 1036 A 36 SER H A 35 SER HBy 1.0 0.0 3.37 1293 1036 A 36 SER H A 35 SER HBx 1.0 0.0 3.37 1294 1037 A 36 SER H A 36 SER HBy 1.0 0.0 3.57 1295 1037 A 36 SER H A 36 SER HBx 1.0 0.0 3.57 1296 1038 A 36 SER HA A 73 VAL HG11 1.0 0.0 5.44 1297 1038 A 36 SER HA A 73 VAL HG21 1.0 0.0 5.44 1298 1039 A 37 PHE H A 36 SER HBy 1.0 0.0 3.80 1299 1039 A 37 PHE H A 36 SER HBx 1.0 0.0 3.80 1300 1040 A 36 SER HBx A 73 VAL HG11 1.0 0.0 4.03 1301 1040 A 36 SER HBy A 73 VAL HG11 1.0 0.0 4.03 1302 1040 A 73 VAL HG21 A 36 SER HBy 1.0 0.0 4.03 1303 1040 A 73 VAL HG21 A 36 SER HBx 1.0 0.0 4.03 1304 1041 A 38 ASN H A 38 ASN HBx 1.0 0.0 3.49 1305 1041 A 38 ASN H A 38 ASN HBy 1.0 0.0 3.49 1306 1042 A 40 VAL HG11 A 41 ARG HDx 1.0 0.0 3.87 1307 1042 A 40 VAL HG11 A 41 ARG HDy 1.0 0.0 3.87 1308 1043 A 40 VAL HG11 A 52 GLU HBy 1.0 0.0 4.18 1309 1043 A 40 VAL HG11 A 52 GLU HBx 1.0 0.0 4.18 1310 1044 A 40 VAL HG11 A 52 GLU HGy 1.0 0.0 4.08 1311 1044 A 40 VAL HG11 A 52 GLU HGx 1.0 0.0 4.08 1312 1045 A 41 ARG HA A 41 ARG HDx 1.0 0.0 4.92 1313 1045 A 41 ARG HA A 41 ARG HDy 1.0 0.0 4.92 1314 1046 A 41 ARG HA A 42 VAL HG11 1.0 0.0 3.84 1315 1046 A 41 ARG HA A 42 VAL HG21 1.0 0.0 3.84 1316 1047 A 41 ARG HBx A 41 ARG HDx 1.0 0.0 3.10 1317 1047 A 41 ARG HBx A 41 ARG HDy 1.0 0.0 3.10 1318 1048 A 41 ARG HBy A 41 ARG HDx 1.0 0.0 3.47 1319 1048 A 41 ARG HBy A 41 ARG HDy 1.0 0.0 3.47 1320 1049 A 42 VAL H A 42 VAL HG11 1.0 0.0 3.58 1321 1049 A 42 VAL H A 42 VAL HG21 1.0 0.0 3.58 1322 1050 A 42 VAL H A 44 PRO HDy 1.0 0.0 5.35 1323 1050 A 42 VAL H A 44 PRO HDx 1.0 0.0 5.35 1324 1051 A 42 VAL HA A 42 VAL HG11 1.0 0.0 2.94 1325 1051 A 42 VAL HA A 42 VAL HG21 1.0 0.0 2.94 1326 1052 A 42 VAL HB A 44 PRO HDy 1.0 0.0 4.70 1327 1052 A 42 VAL HB A 44 PRO HDx 1.0 0.0 4.70 1328 1053 A 43 ALA H A 42 VAL HG11 1.0 0.0 3.57 1329 1053 A 43 ALA H A 42 VAL HG21 1.0 0.0 3.57 1330 1054 A 43 ALA H A 44 PRO HDy 1.0 0.0 4.67 1331 1054 A 43 ALA H A 44 PRO HDx 1.0 0.0 4.67 1332 1055 A 43 ALA HA A 44 PRO HGx 1.0 0.0 4.24 1333 1055 A 43 ALA HA A 44 PRO HGy 1.0 0.0 4.24 1334 1056 A 43 ALA HA A 44 PRO HDy 1.0 0.0 3.41 1335 1056 A 43 ALA HA A 44 PRO HDx 1.0 0.0 3.41 1336 1057 A 43 ALA HA A 45 LEU HBx 1.0 0.0 5.34 1337 1057 A 43 ALA HA A 45 LEU HBy 1.0 0.0 5.34 1338 1058 A 43 ALA HB1 A 44 PRO HGx 1.0 0.0 5.05 1339 1058 A 43 ALA HB1 A 44 PRO HGy 1.0 0.0 5.05 1340 1059 A 43 ALA HB1 A 44 PRO HDy 1.0 0.0 3.54 1341 1059 A 43 ALA HB1 A 44 PRO HDx 1.0 0.0 3.54 1342 1060 A 43 ALA HB1 A 45 LEU HBx 1.0 0.0 4.03 1343 1060 A 43 ALA HB1 A 45 LEU HBy 1.0 0.0 4.03 1344 1061 A 45 LEU H A 44 PRO HDy 1.0 0.0 4.96 1345 1061 A 45 LEU H A 44 PRO HDx 1.0 0.0 4.96 1346 1062 A 45 LEU H A 45 LEU HBx 1.0 0.0 3.43 1347 1062 A 45 LEU H A 45 LEU HBy 1.0 0.0 3.43 1348 1063 A 45 LEU H A 45 LEU HD21 1.0 0.0 4.42 1349 1063 A 45 LEU H A 45 LEU HD11 1.0 0.0 4.42 1350 1064 A 45 LEU HA A 45 LEU HD21 1.0 0.0 2.95 1351 1064 A 45 LEU HA A 45 LEU HD11 1.0 0.0 2.95 1352 1065 A 45 LEU HBy A 45 LEU HD21 1.0 0.0 2.73 1353 1065 A 45 LEU HBx A 45 LEU HD21 1.0 0.0 2.73 1354 1065 A 45 LEU HD11 A 45 LEU HBx 1.0 0.0 2.73 1355 1065 A 45 LEU HBy A 45 LEU HD11 1.0 0.0 2.73 1356 1066 A 46 GLY H A 45 LEU HBx 1.0 0.0 3.81 1357 1066 A 46 GLY H A 45 LEU HBy 1.0 0.0 3.81 1358 1067 A 47 ASP H A 45 LEU HBx 1.0 0.0 4.05 1359 1067 A 47 ASP H A 45 LEU HBy 1.0 0.0 4.05 1360 1068 A 45 LEU HBx A 47 ASP HBx 1.0 0.0 5.18 1361 1068 A 47 ASP HBy A 45 LEU HBx 1.0 0.0 5.18 1362 1068 A 45 LEU HBy A 47 ASP HBy 1.0 0.0 5.18 1363 1068 A 45 LEU HBy A 47 ASP HBx 1.0 0.0 5.18 1364 1069 A 46 GLY H A 45 LEU HD21 1.0 0.0 4.45 1365 1069 A 46 GLY H A 45 LEU HD11 1.0 0.0 4.45 1366 1070 A 47 ASP H A 45 LEU HD21 1.0 0.0 5.22 1367 1070 A 47 ASP H A 45 LEU HD11 1.0 0.0 5.22 1368 1071 A 46 GLY H A 47 ASP HBx 1.0 0.0 4.59 1369 1071 A 46 GLY H A 47 ASP HBy 1.0 0.0 4.59 1370 1072 A 47 ASP H A 47 ASP HBx 1.0 0.0 3.26 1371 1072 A 47 ASP H A 47 ASP HBy 1.0 0.0 3.26 1372 1073 A 47 ASP HA A 48 PRO HDy 1.0 0.0 3.56 1373 1073 A 47 ASP HA A 48 PRO HDx 1.0 0.0 3.56 1374 1074 A 48 PRO HA A 47 ASP HBx 1.0 0.0 5.15 1375 1074 A 48 PRO HA A 47 ASP HBy 1.0 0.0 5.15 1376 1075 A 48 PRO HA A 59 VAL HG11 1.0 0.0 4.86 1377 1075 A 48 PRO HA A 59 VAL HG21 1.0 0.0 4.86 1378 1076 A 48 PRO HBx A 59 VAL HG11 1.0 0.0 3.38 1379 1076 A 48 PRO HBx A 59 VAL HG21 1.0 0.0 3.38 1380 1077 A 48 PRO HBy A 61 ARG HDy 1.0 0.0 5.34 1381 1077 A 48 PRO HBy A 61 ARG HDx 1.0 0.0 5.34 1382 1078 A 49 ILE H A 59 VAL HG11 1.0 0.0 3.99 1383 1078 A 49 ILE H A 59 VAL HG21 1.0 0.0 3.99 1384 1079 A 49 ILE HB A 65 LEU HD21 1.0 0.0 3.64 1385 1079 A 49 ILE HB A 65 LEU HD11 1.0 0.0 3.64 1386 1080 A 49 ILE HG21 A 65 LEU HD21 1.0 0.0 3.24 1387 1080 A 49 ILE HG21 A 65 LEU HD11 1.0 0.0 3.24 1388 1081 A 49 ILE HG1x A 59 VAL HG11 1.0 0.0 4.81 1389 1081 A 49 ILE HG1x A 59 VAL HG21 1.0 0.0 4.81 1390 1082 A 49 ILE HG1x A 65 LEU HD21 1.0 0.0 4.95 1391 1082 A 49 ILE HG1x A 65 LEU HD11 1.0 0.0 4.95 1392 1083 A 49 ILE HG1y A 65 LEU HD21 1.0 0.0 5.42 1393 1083 A 49 ILE HG1y A 65 LEU HD11 1.0 0.0 5.42 1394 1084 A 49 ILE HD11 A 62 LYS HBx 1.0 0.0 4.09 1395 1084 A 49 ILE HD11 A 62 LYS HBy 1.0 0.0 4.09 1396 1085 A 49 ILE HD11 A 65 LEU HD21 1.0 0.0 4.16 1397 1085 A 49 ILE HD11 A 65 LEU HD11 1.0 0.0 4.16 1398 1086 A 50 HIS HA A 59 VAL HG11 1.0 0.0 3.82 1399 1086 A 50 HIS HA A 59 VAL HG21 1.0 0.0 3.82 1400 1087 A 50 HIS HBx A 59 VAL HG11 1.0 0.0 5.44 1401 1087 A 50 HIS HBx A 59 VAL HG21 1.0 0.0 5.44 1402 1088 A 50 HIS HBy A 59 VAL HG11 1.0 0.0 5.44 1403 1088 A 50 HIS HBy A 59 VAL HG21 1.0 0.0 5.44 1404 1089 A 50 HIS HD2 A 59 VAL HG11 1.0 0.0 3.91 1405 1089 A 50 HIS HD2 A 59 VAL HG21 1.0 0.0 3.91 1406 1090 A 50 HIS HE1 A 59 VAL HG11 1.0 0.0 4.37 1407 1090 A 50 HIS HE1 A 59 VAL HG21 1.0 0.0 4.37 1408 1091 A 52 GLU H A 52 GLU HGy 1.0 0.0 4.65 1409 1091 A 52 GLU H A 52 GLU HGx 1.0 0.0 4.65 1410 1092 A 52 GLU HBx A 52 GLU HGy 1.0 0.0 2.19 1411 1092 A 52 GLU HBy A 52 GLU HGy 1.0 0.0 2.19 1412 1092 A 52 GLU HGx A 52 GLU HBy 1.0 0.0 2.19 1413 1092 A 52 GLU HBx A 52 GLU HGx 1.0 0.0 2.19 1414 1093 A 53 THR H A 52 GLU HBy 1.0 0.0 4.22 1415 1093 A 53 THR H A 52 GLU HBx 1.0 0.0 4.22 1416 1094 A 53 THR H A 52 GLU HGy 1.0 0.0 5.28 1417 1094 A 53 THR H A 52 GLU HGx 1.0 0.0 5.28 1418 1095 A 57 SER HA A 52 GLU HGy 1.0 0.0 5.29 1419 1095 A 57 SER HA A 52 GLU HGx 1.0 0.0 5.29 1420 1096 A 52 GLU HGx A 57 SER HBx 1.0 0.0 4.76 1421 1096 A 52 GLU HGy A 57 SER HBx 1.0 0.0 4.76 1422 1096 A 57 SER HBy A 52 GLU HGy 1.0 0.0 4.76 1423 1096 A 52 GLU HGx A 57 SER HBy 1.0 0.0 4.76 1424 1097 A 53 THR HB A 54 ARG HGx 1.0 0.0 4.38 1425 1097 A 53 THR HB A 54 ARG HGy 1.0 0.0 4.38 1426 1098 A 54 ARG H A 54 ARG HGx 1.0 0.0 5.34 1427 1098 A 54 ARG HGy A 54 ARG H 1.0 0.0 5.34 1428 1099 A 55 ARG H A 55 ARG HGy 1.0 0.0 4.59 1429 1099 A 55 ARG H A 55 ARG HGx 1.0 0.0 4.59 1430 1100 A 55 ARG HA A 55 ARG HGy 1.0 0.0 3.64 1431 1100 A 55 ARG HA A 55 ARG HGx 1.0 0.0 3.64 1432 1101 A 55 ARG HA A 55 ARG HDy 1.0 0.0 4.74 1433 1101 A 55 ARG HA A 55 ARG HDx 1.0 0.0 4.74 1434 1102 A 56 VAL H A 55 ARG HBx 1.0 0.0 4.31 1435 1102 A 56 VAL H A 55 ARG HBy 1.0 0.0 4.31 1436 1103 A 55 ARG HBx A 56 VAL HG11 1.0 0.0 4.49 1437 1103 A 55 ARG HBy A 56 VAL HG11 1.0 0.0 4.49 1438 1103 A 56 VAL HG21 A 55 ARG HBx 1.0 0.0 4.49 1439 1103 A 55 ARG HBy A 56 VAL HG21 1.0 0.0 4.49 1440 1104 A 55 ARG HDx A 56 VAL HG11 1.0 0.0 4.85 1441 1104 A 55 ARG HDy A 56 VAL HG11 1.0 0.0 4.85 1442 1104 A 56 VAL HG21 A 55 ARG HDy 1.0 0.0 4.85 1443 1104 A 55 ARG HDx A 56 VAL HG21 1.0 0.0 4.85 1444 1105 A 56 VAL H A 56 VAL HG11 1.0 0.0 3.79 1445 1105 A 56 VAL H A 56 VAL HG21 1.0 0.0 3.79 1446 1106 A 57 SER H A 56 VAL HG11 1.0 0.0 3.51 1447 1106 A 57 SER H A 56 VAL HG21 1.0 0.0 3.51 1448 1107 A 58 LEU H A 56 VAL HG11 1.0 0.0 4.77 1449 1107 A 58 LEU H A 56 VAL HG21 1.0 0.0 4.77 1450 1108 A 57 SER H A 57 SER HBx 1.0 0.0 3.32 1451 1108 A 57 SER H A 57 SER HBy 1.0 0.0 3.32 1452 1109 A 57 SER HA A 58 LEU HD21 1.0 0.0 5.44 1453 1109 A 57 SER HA A 58 LEU HD11 1.0 0.0 5.44 1454 1110 A 58 LEU H A 57 SER HBx 1.0 0.0 4.28 1455 1110 A 58 LEU H A 57 SER HBy 1.0 0.0 4.28 1456 1111 A 58 LEU H A 58 LEU HBx 1.0 0.0 3.42 1457 1111 A 58 LEU H A 58 LEU HBy 1.0 0.0 3.42 1458 1112 A 58 LEU H A 58 LEU HD21 1.0 0.0 4.97 1459 1112 A 58 LEU H A 58 LEU HD11 1.0 0.0 4.97 1460 1113 A 58 LEU HA A 58 LEU HD21 1.0 0.0 3.62 1461 1113 A 58 LEU HA A 58 LEU HD11 1.0 0.0 3.62 1462 1114 A 58 LEU HA A 59 VAL HG11 1.0 0.0 4.81 1463 1114 A 58 LEU HA A 59 VAL HG21 1.0 0.0 4.81 1464 1115 A 59 VAL H A 58 LEU HBx 1.0 0.0 4.04 1465 1115 A 59 VAL H A 58 LEU HBy 1.0 0.0 4.04 1466 1116 A 59 VAL HA A 58 LEU HD21 1.0 0.0 4.46 1467 1116 A 59 VAL HA A 58 LEU HD11 1.0 0.0 4.46 1468 1117 A 59 VAL H A 59 VAL HG11 1.0 0.0 3.42 1469 1117 A 59 VAL H A 59 VAL HG21 1.0 0.0 3.42 1470 1118 A 59 VAL HA A 60 LEU HD21 1.0 0.0 5.44 1471 1118 A 59 VAL HA A 60 LEU HD11 1.0 0.0 5.44 1472 1119 A 59 VAL HA A 65 LEU HD21 1.0 0.0 5.44 1473 1119 A 59 VAL HA A 65 LEU HD11 1.0 0.0 5.44 1474 1120 A 60 LEU H A 59 VAL HG11 1.0 0.0 3.89 1475 1120 A 60 LEU H A 59 VAL HG21 1.0 0.0 3.89 1476 1121 A 60 LEU HA A 59 VAL HG11 1.0 0.0 4.35 1477 1121 A 60 LEU HA A 59 VAL HG21 1.0 0.0 4.35 1478 1122 A 59 VAL HG21 A 60 LEU HBx 1.0 0.0 4.62 1479 1122 A 59 VAL HG11 A 60 LEU HBx 1.0 0.0 4.62 1480 1122 A 60 LEU HBy A 59 VAL HG11 1.0 0.0 4.62 1481 1122 A 59 VAL HG21 A 60 LEU HBy 1.0 0.0 4.62 1482 1123 A 61 ARG H A 59 VAL HG11 1.0 0.0 5.44 1483 1123 A 61 ARG H A 59 VAL HG21 1.0 0.0 5.44 1484 1124 A 61 ARG HA A 59 VAL HG11 1.0 0.0 5.44 1485 1124 A 61 ARG HA A 59 VAL HG21 1.0 0.0 5.44 1486 1125 A 60 LEU H A 60 LEU HBx 1.0 0.0 3.51 1487 1125 A 60 LEU H A 60 LEU HBy 1.0 0.0 3.51 1488 1126 A 60 LEU H A 60 LEU HD21 1.0 0.0 5.44 1489 1126 A 60 LEU H A 60 LEU HD11 1.0 0.0 5.44 1490 1127 A 60 LEU H A 65 LEU HD21 1.0 0.0 5.44 1491 1127 A 60 LEU H A 65 LEU HD11 1.0 0.0 5.44 1492 1128 A 60 LEU HA A 60 LEU HD21 1.0 0.0 3.31 1493 1128 A 60 LEU HA A 60 LEU HD11 1.0 0.0 3.31 1494 1129 A 60 LEU HBx A 60 LEU HD21 1.0 0.0 2.73 1495 1129 A 60 LEU HBy A 60 LEU HD21 1.0 0.0 2.73 1496 1129 A 60 LEU HD11 A 60 LEU HBx 1.0 0.0 2.73 1497 1129 A 60 LEU HD11 A 60 LEU HBy 1.0 0.0 2.73 1498 1130 A 61 ARG H A 60 LEU HBx 1.0 0.0 3.60 1499 1130 A 61 ARG H A 60 LEU HBy 1.0 0.0 3.60 1500 1131 A 60 LEU HBy A 64 ASP HBy 1.0 0.0 4.71 1501 1131 A 64 ASP HBx A 60 LEU HBx 1.0 0.0 4.71 1502 1131 A 60 LEU HBy A 64 ASP HBx 1.0 0.0 4.71 1503 1131 A 60 LEU HBx A 64 ASP HBy 1.0 0.0 4.71 1504 1132 A 60 LEU HBx A 65 LEU HD21 1.0 0.0 3.38 1505 1132 A 60 LEU HBy A 65 LEU HD21 1.0 0.0 3.38 1506 1132 A 65 LEU HD11 A 60 LEU HBx 1.0 0.0 3.38 1507 1132 A 65 LEU HD11 A 60 LEU HBy 1.0 0.0 3.38 1508 1133 A 61 ARG H A 60 LEU HD21 1.0 0.0 4.17 1509 1133 A 61 ARG H A 60 LEU HD11 1.0 0.0 4.17 1510 1134 A 64 ASP H A 60 LEU HD21 1.0 0.0 4.85 1511 1134 A 64 ASP H A 60 LEU HD11 1.0 0.0 4.85 1512 1135 A 60 LEU HD21 A 64 ASP HBy 1.0 0.0 3.33 1513 1135 A 64 ASP HBx A 60 LEU HD21 1.0 0.0 3.33 1514 1135 A 60 LEU HD11 A 64 ASP HBx 1.0 0.0 3.33 1515 1135 A 60 LEU HD11 A 64 ASP HBy 1.0 0.0 3.33 1516 1136 A 65 LEU HA A 60 LEU HD21 1.0 0.0 5.34 1517 1136 A 65 LEU HA A 60 LEU HD11 1.0 0.0 5.34 1518 1137 A 60 LEU HD21 A 65 LEU HD21 1.0 0.0 3.62 1519 1137 A 60 LEU HD11 A 65 LEU HD21 1.0 0.0 3.62 1520 1137 A 65 LEU HD11 A 60 LEU HD21 1.0 0.0 3.62 1521 1137 A 65 LEU HD11 A 60 LEU HD11 1.0 0.0 3.62 1522 1138 A 60 LEU HD11 A 68 LEU HBx 1.0 0.0 5.10 1523 1138 A 68 LEU HBy A 60 LEU HD21 1.0 0.0 5.10 1524 1138 A 60 LEU HD11 A 68 LEU HBy 1.0 0.0 5.10 1525 1138 A 60 LEU HD21 A 68 LEU HBx 1.0 0.0 5.10 1526 1139 A 60 LEU HD21 A 68 LEU HD21 1.0 0.0 3.55 1527 1139 A 60 LEU HD11 A 68 LEU HD21 1.0 0.0 3.55 1528 1139 A 68 LEU HD11 A 60 LEU HD21 1.0 0.0 3.55 1529 1139 A 68 LEU HD11 A 60 LEU HD11 1.0 0.0 3.55 1530 1140 A 61 ARG H A 64 ASP HBy 1.0 0.0 4.19 1531 1140 A 61 ARG H A 64 ASP HBx 1.0 0.0 4.19 1532 1141 A 61 ARG HA A 61 ARG HDy 1.0 0.0 3.75 1533 1141 A 61 ARG HA A 61 ARG HDx 1.0 0.0 3.75 1534 1142 A 61 ARG HBy A 63 LYS HEy 1.0 0.0 5.34 1535 1142 A 61 ARG HBy A 63 LYS HEx 1.0 0.0 5.34 1536 1143 A 63 LYS H A 61 ARG HDy 1.0 0.0 5.34 1537 1143 A 63 LYS H A 61 ARG HDx 1.0 0.0 5.34 1538 1144 A 62 LYS H A 62 LYS HBx 1.0 0.0 3.41 1539 1144 A 62 LYS H A 62 LYS HBy 1.0 0.0 3.41 1540 1145 A 62 LYS HA A 65 LEU HD21 1.0 0.0 4.67 1541 1145 A 62 LYS HA A 65 LEU HD11 1.0 0.0 4.67 1542 1146 A 62 LYS HBy A 62 LYS HEy 1.0 0.0 3.47 1543 1146 A 62 LYS HBx A 62 LYS HEy 1.0 0.0 3.47 1544 1146 A 62 LYS HEx A 62 LYS HBx 1.0 0.0 3.47 1545 1146 A 62 LYS HBy A 62 LYS HEx 1.0 0.0 3.47 1546 1147 A 63 LYS H A 62 LYS HBx 1.0 0.0 3.50 1547 1147 A 63 LYS H A 62 LYS HBy 1.0 0.0 3.50 1548 1148 A 62 LYS HEx A 62 LYS HGx 1.0 0.0 3.24 1549 1148 A 62 LYS HEy A 62 LYS HGx 1.0 0.0 3.24 1550 1148 A 62 LYS HGy A 62 LYS HEy 1.0 0.0 3.24 1551 1148 A 62 LYS HEx A 62 LYS HGy 1.0 0.0 3.24 1552 1149 A 63 LYS H A 62 LYS HGx 1.0 0.0 3.99 1553 1149 A 63 LYS H A 62 LYS HGy 1.0 0.0 3.99 1554 1150 A 63 LYS HA A 62 LYS HGx 1.0 0.0 4.23 1555 1150 A 63 LYS HA A 62 LYS HGy 1.0 0.0 4.23 1556 1151 A 63 LYS H A 62 LYS HEy 1.0 0.0 5.34 1557 1151 A 63 LYS H A 62 LYS HEx 1.0 0.0 5.34 1558 1152 A 63 LYS H A 63 LYS HBx 1.0 0.0 3.46 1559 1152 A 63 LYS H A 63 LYS HBy 1.0 0.0 3.46 1560 1153 A 63 LYS HA A 63 LYS HDy 1.0 0.0 4.84 1561 1153 A 63 LYS HA A 63 LYS HDx 1.0 0.0 4.84 1562 1154 A 63 LYS HBy A 63 LYS HEy 1.0 0.0 3.26 1563 1154 A 63 LYS HBx A 63 LYS HEy 1.0 0.0 3.26 1564 1154 A 63 LYS HEx A 63 LYS HBx 1.0 0.0 3.26 1565 1154 A 63 LYS HEx A 63 LYS HBy 1.0 0.0 3.26 1566 1155 A 63 LYS HEy A 63 LYS HGx 1.0 0.0 3.31 1567 1155 A 63 LYS HEx A 63 LYS HGx 1.0 0.0 3.31 1568 1155 A 63 LYS HGy A 63 LYS HEy 1.0 0.0 3.31 1569 1155 A 63 LYS HEx A 63 LYS HGy 1.0 0.0 3.31 1570 1156 A 64 ASP H A 64 ASP HBy 1.0 0.0 3.35 1571 1156 A 64 ASP H A 64 ASP HBx 1.0 0.0 3.35 1572 1157 A 65 LEU H A 64 ASP HBy 1.0 0.0 3.76 1573 1157 A 65 LEU H A 64 ASP HBx 1.0 0.0 3.76 1574 1158 A 64 ASP HBy A 65 LEU HD21 1.0 0.0 4.82 1575 1158 A 64 ASP HBx A 65 LEU HD21 1.0 0.0 4.82 1576 1158 A 65 LEU HD11 A 64 ASP HBy 1.0 0.0 4.82 1577 1158 A 65 LEU HD11 A 64 ASP HBx 1.0 0.0 4.82 1578 1159 A 65 LEU H A 65 LEU HD21 1.0 0.0 4.48 1579 1159 A 65 LEU H A 65 LEU HD11 1.0 0.0 4.48 1580 1160 A 65 LEU HA A 65 LEU HD21 1.0 0.0 3.51 1581 1160 A 65 LEU HA A 65 LEU HD11 1.0 0.0 3.51 1582 1161 A 65 LEU HA A 68 LEU HBx 1.0 0.0 4.85 1583 1161 A 65 LEU HA A 68 LEU HBy 1.0 0.0 4.85 1584 1162 A 65 LEU HA A 68 LEU HD21 1.0 0.0 3.56 1585 1162 A 65 LEU HA A 68 LEU HD11 1.0 0.0 3.56 1586 1163 A 66 ALA HB1 A 65 LEU HD21 1.0 0.0 5.44 1587 1163 A 66 ALA HB1 A 65 LEU HD11 1.0 0.0 5.44 1588 1164 A 65 LEU HD21 A 68 LEU HBx 1.0 0.0 4.31 1589 1164 A 65 LEU HD11 A 68 LEU HBx 1.0 0.0 4.31 1590 1164 A 68 LEU HBy A 65 LEU HD21 1.0 0.0 4.31 1591 1164 A 65 LEU HD11 A 68 LEU HBy 1.0 0.0 4.31 1592 1165 A 65 LEU HD11 A 68 LEU HD21 1.0 0.0 3.56 1593 1165 A 65 LEU HD21 A 68 LEU HD21 1.0 0.0 3.56 1594 1165 A 68 LEU HD11 A 65 LEU HD21 1.0 0.0 3.56 1595 1165 A 65 LEU HD11 A 68 LEU HD11 1.0 0.0 3.56 1596 1166 A 66 ALA HA A 67 LEU HD21 1.0 0.0 5.16 1597 1166 A 67 LEU HD11 A 66 ALA HA 1.0 0.0 5.16 1598 1167 A 66 ALA HB1 A 67 LEU HD21 1.0 0.0 3.38 1599 1167 A 66 ALA HB1 A 67 LEU HD11 1.0 0.0 3.38 1600 1168 A 67 LEU H A 67 LEU HD21 1.0 0.0 3.65 1601 1168 A 67 LEU H A 67 LEU HD11 1.0 0.0 3.65 1602 1169 A 67 LEU HA A 67 LEU HD21 1.0 0.0 3.33 1603 1169 A 67 LEU HA A 67 LEU HD11 1.0 0.0 3.33 1604 1170 A 68 LEU H A 67 LEU HD21 1.0 0.0 4.57 1605 1170 A 68 LEU H A 67 LEU HD11 1.0 0.0 4.57 1606 1171 A 68 LEU H A 68 LEU HD21 1.0 0.0 4.83 1607 1171 A 68 LEU H A 68 LEU HD11 1.0 0.0 4.83 1608 1172 A 68 LEU HA A 68 LEU HD21 1.0 0.0 3.42 1609 1172 A 68 LEU HA A 68 LEU HD11 1.0 0.0 3.42 1610 1173 A 68 LEU HBy A 68 LEU HD21 1.0 0.0 2.85 1611 1173 A 68 LEU HBx A 68 LEU HD21 1.0 0.0 2.85 1612 1173 A 68 LEU HD11 A 68 LEU HBx 1.0 0.0 2.85 1613 1173 A 68 LEU HD11 A 68 LEU HBy 1.0 0.0 2.85 1614 1174 A 69 GLU H A 68 LEU HBx 1.0 0.0 4.44 1615 1174 A 69 GLU H A 68 LEU HBy 1.0 0.0 4.44 1616 1175 A 70 VAL HG11 A 68 LEU HBx 1.0 0.0 3.28 1617 1175 A 70 VAL HG11 A 68 LEU HBy 1.0 0.0 3.28 1618 1176 A 69 GLU H A 68 LEU HD21 1.0 0.0 3.46 1619 1176 A 69 GLU H A 68 LEU HD11 1.0 0.0 3.46 1620 1177 A 69 GLU H A 69 GLU HBy 1.0 0.0 3.36 1621 1177 A 69 GLU H A 69 GLU HBx 1.0 0.0 3.36 1622 1178 A 69 GLU H A 69 GLU HGy 1.0 0.0 3.25 1623 1178 A 69 GLU H A 69 GLU HGx 1.0 0.0 3.25 1624 1179 A 69 GLU HA A 69 GLU HGy 1.0 0.0 3.31 1625 1179 A 69 GLU HA A 69 GLU HGx 1.0 0.0 3.31 1626 1180 A 69 GLU HBy A 69 GLU HGy 1.0 0.0 2.36 1627 1180 A 69 GLU HBx A 69 GLU HGy 1.0 0.0 2.36 1628 1180 A 69 GLU HGx A 69 GLU HBy 1.0 0.0 2.36 1629 1180 A 69 GLU HBx A 69 GLU HGx 1.0 0.0 2.36 1630 1181 A 70 VAL H A 69 GLU HBy 1.0 0.0 3.85 1631 1181 A 70 VAL H A 69 GLU HBx 1.0 0.0 3.85 1632 1182 A 71 GLU H A 71 GLU HBy 1.0 0.0 3.66 1633 1182 A 71 GLU H A 71 GLU HBx 1.0 0.0 3.66 1634 1183 A 73 VAL HA A 71 GLU HBy 1.0 0.0 4.91 1635 1183 A 73 VAL HA A 71 GLU HBx 1.0 0.0 4.91 1636 1184 A 71 GLU HBy A 73 VAL HG11 1.0 0.0 3.95 1637 1184 A 73 VAL HG21 A 71 GLU HBy 1.0 0.0 3.95 1638 1184 A 73 VAL HG21 A 71 GLU HBx 1.0 0.0 3.95 1639 1184 A 71 GLU HBx A 73 VAL HG11 1.0 0.0 3.95 1640 1185 A 72 ALA H A 71 GLU HGy 1.0 0.0 4.68 1641 1185 A 72 ALA H A 71 GLU HGx 1.0 0.0 4.68 1642 1186 A 72 ALA HA A 73 VAL HG11 1.0 0.0 4.52 1643 1186 A 72 ALA HA A 73 VAL HG21 1.0 0.0 4.52 1644 1187 A 73 VAL H A 73 VAL HG11 1.0 0.0 3.41 1645 1187 A 73 VAL H A 73 VAL HG21 1.0 0.0 3.41 1646 1188 A 73 VAL HA A 73 VAL HG11 1.0 0.0 3.02 1647 1188 A 73 VAL HA A 73 VAL HG21 1.0 0.0 3.02 1648 1189 A 74 SER H A 73 VAL HG11 1.0 0.0 4.83 1649 1189 A 74 SER H A 73 VAL HG21 1.0 0.0 4.83 1650 1190 A 74 SER HA A 73 VAL HG11 1.0 0.0 4.05 1651 1190 A 74 SER HA A 73 VAL HG21 1.0 0.0 4.05 1652 1191 A 73 VAL HG11 A 74 SER HBx 1.0 0.0 4.85 1653 1191 A 73 VAL HG21 A 74 SER HBx 1.0 0.0 4.85 1654 1191 A 74 SER HBy A 73 VAL HG11 1.0 0.0 4.85 1655 1191 A 73 VAL HG21 A 74 SER HBy 1.0 0.0 4.85 1656 1192 A 76 LEU H A 75 SER HBx 1.0 0.0 4.17 1657 1192 A 76 LEU H A 75 SER HBy 1.0 0.0 4.17 1658 1193 A 77 GLU H A 75 SER HBx 1.0 0.0 4.62 1659 1193 A 77 GLU H A 75 SER HBy 1.0 0.0 4.62 1660 1194 A 76 LEU H A 76 LEU HBx 1.0 0.0 3.67 1661 1194 A 76 LEU H A 76 LEU HBy 1.0 0.0 3.67 1662 1195 A 77 GLU H A 76 LEU HBx 1.0 0.0 4.28 1663 1195 A 77 GLU H A 76 LEU HBy 1.0 0.0 4.28 1664 1196 A 77 GLU HA A 76 LEU HBx 1.0 0.0 4.52 1665 1196 A 76 LEU HBy A 77 GLU HA 1.0 0.0 4.52 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 9 TRP H A 37 PHE O 1.0 0.0 2.0 2 2 A 37 PHE O A 9 TRP N 1.0 0.0 3.0 3 3 A 10 LYS H A 71 GLU O 1.0 0.0 2.0 4 4 A 71 GLU O A 10 LYS N 1.0 0.0 3.0 5 5 A 11 ILE H A 35 SER O 1.0 0.0 2.0 6 6 A 35 SER O A 11 ILE N 1.0 0.0 3.0 7 7 A 12 THR H A 69 GLU O 1.0 0.0 2.0 8 8 A 69 GLU O A 12 THR N 1.0 0.0 3.0 9 9 A 37 PHE H A 9 TRP O 1.0 0.0 2.0 10 10 A 9 TRP O A 37 PHE N 1.0 0.0 3.0 11 11 A 51 ILE H A 58 LEU O 1.0 0.0 2.0 12 12 A 58 LEU O A 51 ILE N 1.0 0.0 3.0 13 13 A 52 GLU H A 38 ASN O 1.0 0.0 2.0 14 14 A 38 ASN O A 52 GLU N 1.0 0.0 3.0 15 15 A 53 THR H A 56 VAL O 1.0 0.0 2.0 16 16 A 56 VAL O A 53 THR N 1.0 0.0 3.0 17 17 A 56 VAL H A 53 THR O 1.0 0.0 2.0 18 18 A 53 THR O A 56 VAL N 1.0 0.0 3.0 19 19 A 58 LEU H A 51 ILE O 1.0 0.0 2.0 20 20 A 51 ILE O A 58 LEU N 1.0 0.0 3.0 21 21 A 49 ILE H A 60 LEU O 1.0 0.0 2.0 22 22 A 60 LEU O A 49 ILE N 1.0 0.0 3.0 23 23 A 60 LEU H A 49 ILE O 1.0 0.0 2.0 24 24 A 49 ILE O A 60 LEU N 1.0 0.0 3.0 25 25 A 71 GLU H A 10 LYS O 1.0 0.0 2.0 26 26 A 10 LYS O A 71 GLU N 1.0 0.0 3.0 27 27 A 24 GLN H A 20 PRO O 1.0 0.0 2.0 28 28 A 20 PRO O A 24 GLN N 1.0 0.0 3.0 29 29 A 25 LYS H A 21 ALA O 1.0 0.0 2.0 30 30 A 21 ALA O A 25 LYS N 1.0 0.0 3.0 31 31 A 26 LEU H A 22 TYR O 1.0 0.0 2.0 32 32 A 22 TYR O A 26 LEU N 1.0 0.0 3.0 33 33 A 27 LEU H A 23 ARG O 1.0 0.0 2.0 34 34 A 23 ARG O A 27 LEU N 1.0 0.0 3.0 35 35 A 28 SER H A 24 GLN O 1.0 0.0 2.0 36 36 A 24 GLN O A 28 SER N 1.0 0.0 3.0 37 37 A 66 ALA H A 62 LYS O 1.0 0.0 2.0 38 38 A 62 LYS O A 66 ALA N 1.0 0.0 3.0 39 39 A 67 LEU H A 63 LYS O 1.0 0.0 2.0 40 40 A 63 LYS O A 67 LEU N 1.0 0.0 3.0 stop_ save_ save_CNS/XPLOR_dihedral_2 _nef_dihedral_restraint_list.sf_category nef_dihedral_restraint_list _nef_dihedral_restraint_list.sf_framecode CNS/XPLOR_dihedral_2 _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 2 GLN C A 3 TYR N A 3 TYR CA A 3 TYR C 1.0 -106.2 -50.0 PHI 2 2 A 3 TYR N A 3 TYR CA A 3 TYR C A 4 THR N 1.0 90.6 181.0 PSI 3 3 A 3 TYR C A 4 THR N A 4 THR CA A 4 THR C 1.0 -152.7 -77.1 PHI 4 4 A 4 THR N A 4 THR CA A 4 THR C A 5 PRO N 1.0 102.4 188.2 PSI 5 5 A 5 PRO C A 6 ASP N A 6 ASP CA A 6 ASP C 1.0 -135.2 -28.2 PHI 6 6 A 6 ASP N A 6 ASP CA A 6 ASP C A 7 THR N 1.0 95.1 155.1 PSI 7 7 A 6 ASP C A 7 THR N A 7 THR CA A 7 THR C 1.0 -139.0 -88.2 PHI 8 8 A 7 THR N A 7 THR CA A 7 THR C A 8 ALA N 1.0 93.4 171.2 PSI 9 9 A 7 THR C A 8 ALA N A 8 ALA CA A 8 ALA C 1.0 -167.6 -81.2 PHI 10 10 A 8 ALA N A 8 ALA CA A 8 ALA C A 9 TRP N 1.0 104.9 184.3 PSI 11 11 A 8 ALA C A 9 TRP N A 9 TRP CA A 9 TRP C 1.0 -163.6 -88.2 PHI 12 12 A 9 TRP N A 9 TRP CA A 9 TRP C A 10 LYS N 1.0 108.7 170.9 PSI 13 13 A 9 TRP C A 10 LYS N A 10 LYS CA A 10 LYS C 1.0 -160.7 -64.3 PHI 14 14 A 10 LYS N A 10 LYS CA A 10 LYS C A 11 ILE N 1.0 114.7 164.5 PSI 15 15 A 10 LYS C A 11 ILE N A 11 ILE CA A 11 ILE C 1.0 -135.4 -55.8 PHI 16 16 A 11 ILE N A 11 ILE CA A 11 ILE C A 12 THR N 1.0 96.8 148.4 PSI 17 17 A 11 ILE C A 12 THR N A 12 THR CA A 12 THR C 1.0 -139.3 -59.5 PHI 18 18 A 13 GLY N A 13 GLY CA A 13 GLY C A 14 PHE N 1.0 98.4 217.8 PSI 19 19 A 13 GLY C A 14 PHE N A 14 PHE CA A 14 PHE C 1.0 -176.7 -72.1 PHI 20 20 A 14 PHE N A 14 PHE CA A 14 PHE C A 15 SER N 1.0 128.2 181.8 PSI 21 21 A 14 PHE C A 15 SER N A 15 SER CA A 15 SER C 1.0 -129.7 -20.7 PHI 22 22 A 15 SER N A 15 SER CA A 15 SER C A 16 ARG N 1.0 103.0 178.0 PSI 23 23 A 15 SER C A 16 ARG N A 16 ARG CA A 16 ARG C 1.0 -88.4 -29.8 PHI 24 24 A 16 ARG N A 16 ARG CA A 16 ARG C A 17 GLU N 1.0 -58.6 1.4 PSI 25 25 A 16 ARG C A 17 GLU N A 17 GLU CA A 17 GLU C 1.0 -128.0 -60.2 PHI 26 26 A 17 GLU N A 17 GLU CA A 17 GLU C A 18 ILE N 1.0 -51.2 38.2 PSI 27 27 A 17 GLU C A 18 ILE N A 18 ILE CA A 18 ILE C 1.0 -122.7 -41.9 PHI 28 28 A 18 ILE N A 18 ILE CA A 18 ILE C A 19 SER N 1.0 112.2 152.2 PSI 29 29 A 18 ILE C A 19 SER N A 19 SER CA A 19 SER C 1.0 -102.4 -49.0 PHI 30 30 A 19 SER N A 19 SER CA A 19 SER C A 20 PRO N 1.0 91.3 160.5 PSI 31 31 A 19 SER C A 20 PRO N A 20 PRO CA A 20 PRO C 1.0 -73.0 -33.0 PHI 32 32 A 20 PRO N A 20 PRO CA A 20 PRO C A 21 ALA N 1.0 -57.1 -17.1 PSI 33 33 A 20 PRO C A 21 ALA N A 21 ALA CA A 21 ALA C 1.0 -85.3 -45.3 PHI 34 34 A 21 ALA N A 21 ALA CA A 21 ALA C A 22 TYR N 1.0 -57.7 -17.7 PSI 35 35 A 21 ALA C A 22 TYR N A 22 TYR CA A 22 TYR C 1.0 -89.1 -49.1 PHI 36 36 A 22 TYR N A 22 TYR CA A 22 TYR C A 23 ARG N 1.0 -59.3 -19.3 PSI 37 37 A 22 TYR C A 23 ARG N A 23 ARG CA A 23 ARG C 1.0 -83.6 -43.6 PHI 38 38 A 23 ARG N A 23 ARG CA A 23 ARG C A 24 GLN N 1.0 -63.7 -23.7 PSI 39 39 A 23 ARG C A 24 GLN N A 24 GLN CA A 24 GLN C 1.0 -82.4 -42.4 PHI 40 40 A 24 GLN N A 24 GLN CA A 24 GLN C A 25 LYS N 1.0 -60.5 -20.5 PSI 41 41 A 24 GLN C A 25 LYS N A 25 LYS CA A 25 LYS C 1.0 -85.2 -45.2 PHI 42 42 A 25 LYS N A 25 LYS CA A 25 LYS C A 26 LEU N 1.0 -62.1 -22.1 PSI 43 43 A 25 LYS C A 26 LEU N A 26 LEU CA A 26 LEU C 1.0 -84.0 -44.0 PHI 44 44 A 26 LEU N A 26 LEU CA A 26 LEU C A 27 LEU N 1.0 -62.4 -22.4 PSI 45 45 A 26 LEU C A 27 LEU N A 27 LEU CA A 27 LEU C 1.0 -82.3 -42.3 PHI 46 46 A 27 LEU N A 27 LEU CA A 27 LEU C A 28 SER N 1.0 -57.6 -17.6 PSI 47 47 A 27 LEU C A 28 SER N A 28 SER CA A 28 SER C 1.0 -85.6 -45.6 PHI 48 48 A 28 SER N A 28 SER CA A 28 SER C A 29 LEU N 1.0 -45.3 -5.3 PSI 49 49 A 30 GLY C A 31 MET N A 31 MET CA A 31 MET C 1.0 -193.2 -53.2 PHI 50 50 A 31 MET N A 31 MET CA A 31 MET C A 32 LEU N 1.0 73.9 233.9 PSI 51 51 A 31 MET C A 32 LEU N A 32 LEU CA A 32 LEU C 1.0 -186.9 -82.3 PHI 52 52 A 32 LEU N A 32 LEU CA A 32 LEU C A 33 PRO N 1.0 61.5 201.5 PSI 53 53 A 32 LEU C A 33 PRO N A 33 PRO CA A 33 PRO C 1.0 -74.3 -34.3 PHI 54 54 A 33 PRO N A 33 PRO CA A 33 PRO C A 34 GLY N 1.0 69.5 209.5 PSI 55 55 A 33 PRO C A 34 GLY N A 34 GLY CA A 34 GLY C 1.0 65.7 118.3 PHI 56 56 A 34 GLY N A 34 GLY CA A 34 GLY C A 35 SER N 1.0 -35.0 11.4 PSI 57 57 A 34 GLY C A 35 SER N A 35 SER CA A 35 SER C 1.0 -154.1 -28.3 PHI 58 58 A 35 SER N A 35 SER CA A 35 SER C A 36 SER N 1.0 95.3 203.1 PSI 59 59 A 35 SER C A 36 SER N A 36 SER CA A 36 SER C 1.0 -155.4 -86.2 PHI 60 60 A 36 SER N A 36 SER CA A 36 SER C A 37 PHE N 1.0 133.3 176.9 PSI 61 61 A 36 SER C A 37 PHE N A 37 PHE CA A 37 PHE C 1.0 -174.8 -122.4 PHI 62 62 A 37 PHE N A 37 PHE CA A 37 PHE C A 38 ASN N 1.0 138.3 178.3 PSI 63 63 A 37 PHE C A 38 ASN N A 38 ASN CA A 38 ASN C 1.0 -156.2 -90.4 PHI 64 64 A 38 ASN N A 38 ASN CA A 38 ASN C A 39 VAL N 1.0 103.3 163.5 PSI 65 65 A 38 ASN C A 39 VAL N A 39 VAL CA A 39 VAL C 1.0 -101.5 -59.3 PHI 66 66 A 39 VAL N A 39 VAL CA A 39 VAL C A 40 VAL N 1.0 102.4 142.4 PSI 67 67 A 39 VAL C A 40 VAL N A 40 VAL CA A 40 VAL C 1.0 -124.8 -61.2 PHI 68 68 A 40 VAL N A 40 VAL CA A 40 VAL C A 41 ARG N 1.0 -62.6 -4.4 PSI 69 69 A 40 VAL C A 41 ARG N A 41 ARG CA A 41 ARG C 1.0 -179.4 -139.0 PHI 70 70 A 41 ARG N A 41 ARG CA A 41 ARG C A 42 VAL N 1.0 130.9 170.9 PSI 71 71 A 41 ARG C A 42 VAL N A 42 VAL CA A 42 VAL C 1.0 -165.2 -72.4 PHI 72 72 A 42 VAL N A 42 VAL CA A 42 VAL C A 43 ALA N 1.0 106.0 146.0 PSI 73 73 A 42 VAL C A 43 ALA N A 43 ALA CA A 43 ALA C 1.0 -93.0 -53.0 PHI 74 74 A 43 ALA N A 43 ALA CA A 43 ALA C A 44 PRO N 1.0 112.9 181.1 PSI 75 75 A 43 ALA C A 44 PRO N A 44 PRO CA A 44 PRO C 1.0 -75.0 -35.0 PHI 76 76 A 44 PRO N A 44 PRO CA A 44 PRO C A 45 LEU N 1.0 -54.0 -14.0 PSI 77 77 A 44 PRO C A 45 LEU N A 45 LEU CA A 45 LEU C 1.0 -132.4 -54.0 PHI 78 78 A 45 LEU N A 45 LEU CA A 45 LEU C A 46 GLY N 1.0 -29.1 10.9 PSI 79 79 A 46 GLY C A 47 ASP N A 47 ASP CA A 47 ASP C 1.0 -174.6 -98.0 PHI 80 80 A 47 ASP N A 47 ASP CA A 47 ASP C A 48 PRO N 1.0 123.4 189.0 PSI 81 81 A 47 ASP C A 48 PRO N A 48 PRO CA A 48 PRO C 1.0 -96.7 -53.9 PHI 82 82 A 48 PRO N A 48 PRO CA A 48 PRO C A 49 ILE N 1.0 126.4 188.2 PSI 83 83 A 48 PRO C A 49 ILE N A 49 ILE CA A 49 ILE C 1.0 -157.3 -75.1 PHI 84 84 A 49 ILE N A 49 ILE CA A 49 ILE C A 50 HIS N 1.0 107.8 154.4 PSI 85 85 A 49 ILE C A 50 HIS N A 50 HIS CA A 50 HIS C 1.0 -134.0 -72.0 PHI 86 86 A 50 HIS N A 50 HIS CA A 50 HIS C A 51 ILE N 1.0 111.5 157.1 PSI 87 87 A 50 HIS C A 51 ILE N A 51 ILE CA A 51 ILE C 1.0 -152.7 -103.5 PHI 88 88 A 51 ILE N A 51 ILE CA A 51 ILE C A 52 GLU N 1.0 133.3 179.5 PSI 89 89 A 51 ILE C A 52 GLU N A 52 GLU CA A 52 GLU C 1.0 -153.9 -112.3 PHI 90 90 A 52 GLU N A 52 GLU CA A 52 GLU C A 53 THR N 1.0 113.1 167.7 PSI 91 91 A 52 GLU C A 53 THR N A 53 THR CA A 53 THR C 1.0 -165.9 -40.7 PHI 92 92 A 53 THR N A 53 THR CA A 53 THR C A 54 ARG N 1.0 138.8 184.4 PSI 93 93 A 53 THR C A 54 ARG N A 54 ARG CA A 54 ARG C 1.0 -98.5 -38.5 PHI 94 94 A 54 ARG N A 54 ARG CA A 54 ARG C A 55 ARG N 1.0 -53.1 9.5 PSI 95 95 A 54 ARG C A 55 ARG N A 55 ARG CA A 55 ARG C 1.0 -140.5 -63.9 PHI 96 96 A 55 ARG N A 55 ARG CA A 55 ARG C A 56 VAL N 1.0 -48.7 31.5 PSI 97 97 A 55 ARG C A 56 VAL N A 56 VAL CA A 56 VAL C 1.0 -168.5 -59.7 PHI 98 98 A 56 VAL N A 56 VAL CA A 56 VAL C A 57 SER N 1.0 86.0 183.6 PSI 99 99 A 56 VAL C A 57 SER N A 57 SER CA A 57 SER C 1.0 -144.5 -70.3 PHI 100 100 A 57 SER N A 57 SER CA A 57 SER C A 58 LEU N 1.0 115.3 165.7 PSI 101 101 A 57 SER C A 58 LEU N A 58 LEU CA A 58 LEU C 1.0 -164.1 -101.5 PHI 102 102 A 58 LEU N A 58 LEU CA A 58 LEU C A 59 VAL N 1.0 126.2 166.2 PSI 103 103 A 58 LEU C A 59 VAL N A 59 VAL CA A 59 VAL C 1.0 -137.5 -80.1 PHI 104 104 A 59 VAL N A 59 VAL CA A 59 VAL C A 60 LEU N 1.0 102.4 142.4 PSI 105 105 A 59 VAL C A 60 LEU N A 60 LEU CA A 60 LEU C 1.0 -168.7 -105.9 PHI 106 106 A 60 LEU N A 60 LEU CA A 60 LEU C A 61 ARG N 1.0 138.0 188.0 PSI 107 107 A 60 LEU C A 61 ARG N A 61 ARG CA A 61 ARG C 1.0 -96.8 -52.0 PHI 108 108 A 61 ARG N A 61 ARG CA A 61 ARG C A 62 LYS N 1.0 109.3 175.1 PSI 109 109 A 61 ARG C A 62 LYS N A 62 LYS CA A 62 LYS C 1.0 -75.1 -35.1 PHI 110 110 A 62 LYS N A 62 LYS CA A 62 LYS C A 63 LYS N 1.0 -64.9 -21.7 PSI 111 111 A 62 LYS C A 63 LYS N A 63 LYS CA A 63 LYS C 1.0 -84.8 -43.4 PHI 112 112 A 63 LYS N A 63 LYS CA A 63 LYS C A 64 ASP N 1.0 -54.4 -14.4 PSI 113 113 A 63 LYS C A 64 ASP N A 64 ASP CA A 64 ASP C 1.0 -84.3 -44.3 PHI 114 114 A 64 ASP N A 64 ASP CA A 64 ASP C A 65 LEU N 1.0 -63.3 -23.3 PSI 115 115 A 64 ASP C A 65 LEU N A 65 LEU CA A 65 LEU C 1.0 -82.0 -42.0 PHI 116 116 A 65 LEU N A 65 LEU CA A 65 LEU C A 66 ALA N 1.0 -58.7 -7.5 PSI 117 117 A 65 LEU C A 66 ALA N A 66 ALA CA A 66 ALA C 1.0 -109.0 -33.8 PHI 118 118 A 66 ALA N A 66 ALA CA A 66 ALA C A 67 LEU N 1.0 -54.7 -2.7 PSI 119 119 A 66 ALA C A 67 LEU N A 67 LEU CA A 67 LEU C 1.0 -131.2 -69.6 PHI 120 120 A 67 LEU N A 67 LEU CA A 67 LEU C A 68 LEU N 1.0 -60.9 32.7 PSI 121 121 A 67 LEU C A 68 LEU N A 68 LEU CA A 68 LEU C 1.0 -172.4 -32.4 PHI 122 122 A 68 LEU N A 68 LEU CA A 68 LEU C A 69 GLU N 1.0 86.5 193.5 PSI 123 123 A 68 LEU C A 69 GLU N A 69 GLU CA A 69 GLU C 1.0 -151.8 -55.4 PHI 124 124 A 69 GLU N A 69 GLU CA A 69 GLU C A 70 VAL N 1.0 74.7 205.9 PSI 125 125 A 69 GLU C A 70 VAL N A 70 VAL CA A 70 VAL C 1.0 -154.4 -114.4 PHI 126 126 A 70 VAL N A 70 VAL CA A 70 VAL C A 71 GLU N 1.0 145.3 185.3 PSI 127 127 A 70 VAL C A 71 GLU N A 71 GLU CA A 71 GLU C 1.0 -164.5 -115.1 PHI 128 128 A 71 GLU N A 71 GLU CA A 71 GLU C A 72 ALA N 1.0 118.3 174.5 PSI 129 129 A 71 GLU C A 72 ALA N A 72 ALA CA A 72 ALA C 1.0 -103.6 -55.2 PHI stop_ save_