NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 4 R 4.2813 8.1133 119.7025 55.6990 31.8531 175.0427 5 K 4.2434 7.9349 117.8325 54.9926 33.6273 174.1700 6 A 3.8571 8.4617 120.2710 52.7345 17.7268 176.8974 7 G 4.0779 7.1064 114.6108 46.6468 0.0000 174.3150 8 I 4.0575 8.1507 119.5678 60.1994 38.8159 175.5352 9 S 4.8037 8.2095 113.5035 56.3069 67.4430 173.6969 10 Y 3.9768 8.5858 122.0227 61.0700 38.4168 178.1839 11 A 4.2545 8.2045 120.8322 54.8525 18.6506 179.2493 12 A 3.8827 7.9314 119.4358 55.5038 18.4251 179.2546 13 Y 4.2805 7.8754 117.1324 60.1144 39.0421 177.3752 14 L 4.2522 7.2773 118.4880 56.2994 43.4206 177.6082 15 N 4.3184 8.0345 117.2527 56.2645 38.6352 176.8991 16 V 3.5027 8.0552 119.2460 66.0806 31.7657 177.5873 17 A 4.0733 7.7828 118.9953 54.2967 18.0578 179.1166 18 A 4.0759 7.6256 119.3641 55.0255 18.4096 179.8108 19 Q 3.8424 8.1126 116.7915 58.7705 28.1624 178.5506 20 A 3.9990 7.7135 123.0047 55.8852 18.2236 180.1995 21 I 3.7442 7.8200 119.0140 66.0309 35.6641 180.6023 22 R 4.3939 7.6289 124.8251 61.8189 29.0944 180.6761 23 S 5.0066 8.1418 117.1406 60.0397 62.2407 176.1767 24 S 4.8183 7.4618 113.2242 58.6990 63.7790 173.2011 25 L 4.3024 7.7809 125.8625 54.4310 42.7290 177.1216 26 K 3.8526 8.7093 126.6449 55.4201 32.2625 173.9488 27 T 3.9465 9.0459 120.1587 66.5433 68.7565 176.3598 28 E 3.8693 7.9899 119.3111 59.0469 30.0598 178.0195 29 L 4.7009 7.5306 114.9042 53.4586 42.1350 178.1360 30 Q 4.1155 8.2358 119.9249 55.5494 28.8384 175.5284 31 T 4.3561 8.0657 120.3029 60.3614 70.1690 174.5046 32 A 4.0311 8.4178 123.7004 55.5093 18.7426 179.6905 33 S 4.2123 8.0079 112.0055 61.3726 63.3170 176.5324 34 V 3.6765 7.6724 121.8584 65.6838 31.3140 177.7320 35 L 4.1473 7.8090 119.7816 58.4546 40.2152 178.4172 36 N 4.2491 7.5539 116.4161 56.9928 38.8205 176.6624 37 R 4.0918 7.5313 116.8395 58.3518 30.2961 177.8346 38 S 4.5897 7.8859 113.1080 58.5046 62.9234 173.9783 39 Q 4.6157 7.2501 119.5550 55.2524 31.9332 179.6297 40 T 4.8282 8.0632 109.4381 59.8066 72.4842 174.7263 41 D 4.7061 8.4610 119.0607 54.4013 41.8955 176.9687 42 A 4.2027 7.7102 122.2697 52.6061 19.2749 176.6907 43 F 5.1347 8.9289 119.2233 55.7407 43.2639 174.0910 44 Y 5.1195 8.9528 118.0968 55.7784 41.5410 174.3210 45 T 5.2179 8.6241 117.3157 60.7253 71.6697 173.7396 46 Q 4.5708 8.9480 127.5753 56.3745 30.2918 174.2374 47 Y 4.8657 8.4735 120.9097 57.2670 42.3458 175.7782 48 K 4.4984 8.4772 122.0938 55.5369 35.9072 176.2546 49 N 3.9646 9.1831 120.1336 53.3777 35.6743 173.8969 *53 A 4.1291 7.4017 120.2157 51.8615 19.6625 176.4197 54 S 3.8675 8.3901 117.0646 57.9975 64.4915 173.7926 55 E 4.5449 8.0054 118.4252 56.3699 31.3869 174.7148 56 P 4.7135 0.0000 0.0000 62.1551 35.2045 177.2140 57 T 3.9638 8.4584 113.4664 61.9565 68.5234 172.6925 58 P 5.3845 0.0000 0.0000 61.0454 30.2805 175.7931 59 I 3.7812 7.0326 124.9398 61.0428 36.5252 177.7054 60 T 4.2055 8.2823 115.9597 61.4234 69.3798 176.7555 61 K 4.4398 7.7266 120.1497 56.1372 32.3311 174.4092 NUM RES H HA HB HB2 HB3 HD1 HD2 HD21 HD22 HD3 HE HE1 HE2 HE21 HE22 HE3 HG HG1 HG12 HG13 HG2 HG3 HZ 4 R 8.11 4.28 0.00 1.70 2.04 0.00 3.40 0.00 0.00 3.41 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.83 0.00 5 K 7.93 4.24 0.00 1.80 1.72 0.00 1.86 0.00 0.00 1.66 0.00 0.00 2.84 0.00 0.00 2.74 0.00 0.00 0.00 0.00 1.35 1.41 7.81 6 A 8.46 3.86 1.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7 G 7.11 4.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8 I 8.15 4.06 1.92 0.00 0.00 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.67 0.94 0.00 0.00 9 S 8.21 4.80 0.00 4.05 3.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 10 Y 8.59 3.98 0.00 3.09 2.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 11 A 8.20 4.25 1.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 12 A 7.93 3.88 1.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 13 Y 7.88 4.28 0.00 2.92 3.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 14 L 7.28 4.25 0.00 1.83 1.64 1.01 0.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.00 0.00 0.00 0.00 0.00 0.00 15 N 8.03 4.32 0.00 2.81 2.99 0.00 0.00 6.71 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 16 V 8.06 3.50 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.80 0.00 0.00 0.94 0.00 0.00 17 A 7.78 4.07 1.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 18 A 7.63 4.08 1.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19 Q 8.11 3.84 0.00 2.10 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.73 0.00 0.00 0.00 0.00 0.00 2.36 2.35 0.00 20 A 7.71 4.00 1.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 21 I 7.82 3.74 1.87 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.73 0.91 0.00 0.00 22 R 7.63 4.39 0.00 1.64 1.96 0.00 3.23 0.00 0.00 3.20 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.51 0.00 23 S 8.14 5.01 0.00 3.66 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 24 S 7.46 4.82 0.00 3.93 3.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 25 L 7.78 4.30 0.00 1.77 1.70 0.91 0.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 26 K 8.71 3.85 0.00 1.72 1.72 0.00 1.87 0.00 0.00 1.82 0.00 0.00 2.81 0.00 0.00 2.76 0.00 0.00 0.00 0.00 1.46 1.07 7.81 27 T 9.05 3.95 4.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 28 E 7.99 3.87 0.00 1.93 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.32 2.45 0.00 29 L 7.53 4.70 0.00 1.58 1.57 0.92 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 30 Q 8.24 4.12 0.00 2.00 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.80 0.00 0.00 0.00 0.00 0.00 2.34 2.28 0.00 31 T 8.07 4.36 4.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.00 0.00 32 A 8.42 4.03 1.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 33 S 8.01 4.21 0.00 4.06 4.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 34 V 7.67 3.68 2.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.07 0.00 0.00 0.93 0.00 0.00 35 L 7.81 4.15 0.00 1.86 1.90 0.92 0.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 0.00 0.00 0.00 0.00 0.00 0.00 36 N 7.55 4.25 0.00 2.85 3.15 0.00 0.00 7.25 7.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 37 R 7.53 4.09 0.00 1.88 1.97 0.00 3.37 0.00 0.00 3.15 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 1.77 0.00 38 S 7.89 4.59 0.00 3.87 3.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 39 Q 7.25 4.62 0.00 2.05 1.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.02 6.58 0.00 0.00 0.00 0.00 0.00 2.17 1.92 0.00 40 T 8.06 4.83 4.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 41 D 8.46 4.71 0.00 2.67 2.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 42 A 7.71 4.20 1.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 43 F 8.93 5.13 0.00 2.88 2.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 44 Y 8.95 5.12 0.00 2.98 3.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 45 T 8.62 5.22 4.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.00 0.00 46 Q 8.95 4.57 0.00 2.20 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.83 6.78 0.00 0.00 0.00 0.00 0.00 2.40 2.50 0.00 47 Y 8.47 4.87 0.00 2.79 2.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 48 K 8.48 4.50 0.00 1.47 1.53 0.00 1.96 0.00 0.00 1.70 0.00 0.00 2.66 0.00 0.00 2.77 0.00 0.00 0.00 0.00 1.30 1.29 7.81 49 N 9.18 3.96 0.00 2.87 2.96 0.00 0.00 7.03 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *53 A 7.40 4.13 1.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54 S 8.39 3.87 0.00 3.50 3.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 55 E 8.01 4.54 0.00 1.73 1.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 1.84 0.00 56 P 0.00 4.71 0.00 2.06 2.11 0.00 3.89 0.00 0.00 3.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 1.97 0.00 57 T 8.46 3.96 4.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.00 0.00 58 P 0.00 5.38 0.00 2.10 2.00 0.00 3.36 0.00 0.00 4.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 1.81 0.00 59 I 7.03 3.78 1.87 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.70 0.91 0.00 0.00 60 T 8.28 4.21 4.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 61 K 7.73 4.44 0.00 1.69 1.56 0.00 1.81 0.00 0.00 1.74 0.00 0.00 2.94 0.00 0.00 2.69 0.00 0.00 0.00 0.00 1.28 1.21 7.81 * Residues marked with a * may have inaccurate shift predictions.