NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 V 4.0136 8.0501 120.3928 62.3352 32.9955 174.5875 2 A 4.4441 7.8518 120.1181 48.5913 21.3331 174.9292 3 P 4.5374 0.0000 0.0000 62.4051 33.6469 173.8407 4 T 4.6020 7.9093 109.2465 59.6741 72.4855 174.7728 5 L 3.8901 8.2766 121.5677 58.6868 41.9946 178.6867 6 T 4.0060 8.0171 108.8978 64.9690 68.5364 175.8574 7 A 4.0843 7.8065 122.9611 54.9629 18.3667 179.9026 8 R 3.8903 7.9382 116.6286 59.3652 30.1708 179.2336 9 L 3.7107 8.3981 119.2103 57.6523 41.4130 178.8517 10 Y 4.0326 8.2308 119.9403 60.7013 38.6082 177.8849 11 S 3.8971 7.9409 115.0384 61.7986 63.1722 176.5381 12 L 4.1736 7.5700 119.2976 56.0900 41.4630 178.1006 13 L 4.4252 7.3560 117.3346 56.4502 42.7603 178.8542 14 F 5.1752 7.3531 115.3399 60.3103 39.4529 176.8542 15 R 3.7296 7.5947 120.3630 59.5416 30.0942 177.2541 16 R 4.1642 7.6237 116.6822 56.1717 31.7312 177.9620 17 T 4.0432 8.5057 119.8790 66.5470 68.5372 177.2995 18 S 4.1669 8.0521 116.0891 61.5639 63.1754 176.0368 19 T 4.1033 7.8759 115.6577 64.0286 67.3285 176.0386 20 F 4.4806 8.5746 123.7545 60.0262 39.3493 176.9365 21 A 4.2261 7.8903 120.5129 54.6828 18.6140 179.2065 22 L 3.9334 7.7891 118.5016 58.5515 42.0554 179.3038 23 T 3.8357 7.8663 115.7145 66.6824 68.2733 176.6949 24 I 3.6481 7.1976 120.3230 64.0349 37.2037 178.5176 25 V 3.5741 7.8662 119.1600 66.0428 31.3896 178.2533 26 V 3.8172 8.0531 117.9734 66.1624 31.4644 178.1586 27 G 3.7166 8.5474 105.6460 47.7922 0.0000 175.4764 28 A 4.1336 8.4615 123.3502 55.0990 18.2858 179.7960 29 L 4.0159 8.0483 117.3597 57.8330 41.6584 179.7999 30 F 3.9410 8.6833 117.9711 60.3153 38.8188 177.5455 31 F 4.1718 8.9551 120.8222 61.2021 39.1768 176.5264 32 E 3.9496 8.5522 119.0435 59.3997 29.4092 178.8324 33 R 3.7893 7.6970 118.1858 59.4765 30.1624 178.3299 34 A 3.9583 7.9066 120.5497 55.0121 18.3095 179.4204 35 F 3.7521 8.5481 119.7412 61.3982 39.3190 177.1775 36 D 4.2299 8.2274 118.5869 57.3898 40.6466 178.7753 37 Q 4.0233 8.1519 118.6504 58.7907 28.7224 179.1535 38 G 3.4417 8.1066 106.4765 47.8421 0.0000 175.6460 39 A 3.8336 7.8233 124.3725 54.6303 18.2365 179.4443 40 D 4.2826 8.2655 117.4312 57.4383 40.8716 178.8914 41 A 4.0156 8.0815 121.3116 55.0718 18.3674 179.7995 42 I 3.6508 7.7981 118.3650 64.6355 37.0813 177.9663 43 Y 4.0533 8.2972 120.6086 60.9568 38.4409 178.1455 44 E 3.9942 8.3173 118.1610 59.3754 29.9034 178.5838 45 H 4.5689 8.2153 119.9465 58.7655 29.7701 177.3885 46 I 3.7497 7.7176 120.3947 63.2280 37.1329 176.3931 47 N 4.8654 7.4283 117.2919 52.1814 38.9060 173.8884 48 E 3.9693 7.6594 119.5141 57.9112 29.9282 177.8882 49 G 4.0014 8.5937 114.0116 45.4699 0.0000 173.8733 50 K 4.3436 7.8440 117.6394 57.3067 33.3794 177.2451 51 L 4.4088 7.6827 118.4040 53.5460 42.7968 177.2867 52 W 4.4718 9.0924 131.2370 60.8254 30.2784 178.4510 53 K 3.9637 8.0669 116.7258 59.6775 32.0902 178.1016 54 H 4.5617 8.3246 117.5435 57.2782 29.1922 176.3801 55 I 4.0950 7.2784 112.4077 60.4987 38.5041 177.0538 56 K 2.7689 7.2940 122.7134 59.8230 30.7789 177.7067 57 H 4.0230 8.0277 114.5071 58.9104 27.8402 177.4060 58 K 3.8086 6.9696 119.7702 58.2643 31.7094 177.2098 59 Y 4.7015 6.5577 114.8976 58.0807 40.0435 175.8622 60 E 4.0719 8.0212 121.2107 57.0500 30.2081 177.4113 *61 N 4.7924 8.3896 113.3217 52.1044 39.4376 174.5333 62 K 4.2540 8.1611 120.4947 56.9476 33.2507 175.6256 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 1 V 8.05 4.01 2.08 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 0.97 0.00 0.00 0.93 0.00 0.00 2 A 7.85 4.44 1.23 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 3 P 0.00 4.54 0.00 2.06 2.05 0.00 3.64 0.00 0.00 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.07 0.00 4 T 7.91 4.60 4.25 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 1.22 0.00 0.00 5 L 8.28 3.89 0.00 1.78 1.72 0.91 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 6 T 8.02 4.01 4.33 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 0.00 0.00 0.00 1.27 0.00 0.00 7 A 7.81 4.08 1.40 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 R 7.94 3.89 0.00 1.99 1.94 0.00 3.28 0.00 0.00 3.16 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 1.80 0.00 9 L 8.40 3.71 0.00 1.70 1.13 0.99 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 10 Y 8.23 4.03 0.00 3.21 3.21 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 S 7.94 3.90 0.00 3.85 3.89 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 12 L 7.57 4.17 0.00 1.50 1.63 0.86 0.99 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 13 L 7.36 4.43 0.00 1.05 1.54 0.73 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.00 0.00 0.00 0.00 0.00 0.00 14 F 7.35 5.18 0.00 3.21 3.34 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 15 R 7.59 3.73 0.00 1.00 1.68 0.00 3.12 0.00 0.00 3.07 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.50 0.00 16 R 7.62 4.16 0.00 1.91 1.83 0.00 3.17 0.00 0.00 3.32 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.66 0.00 17 T 8.51 4.04 4.25 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 1.24 0.00 0.00 18 S 8.05 4.17 0.00 4.07 4.14 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 T 7.88 4.10 4.25 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 1.36 0.00 0.00 20 F 8.57 4.48 0.00 3.49 3.20 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 0.00 21 A 7.89 4.23 1.46 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 22 L 7.79 3.93 0.00 1.77 1.69 0.94 1.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 23 T 7.87 3.84 4.30 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 1.22 0.00 0.00 24 I 7.20 3.65 1.91 0.00 0.00 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.10 0.45 0.84 0.00 0.00 25 V 7.87 3.57 2.21 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 1.03 0.00 0.00 0.95 0.00 0.00 26 V 8.05 3.82 2.11 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 1.04 0.00 0.00 1.06 0.00 0.00 27 G 8.55 3.72 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 28 A 8.46 4.13 1.45 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 29 L 8.05 4.02 0.00 1.92 1.66 0.95 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 30 F 8.68 3.94 0.00 3.29 3.19 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 31 F 8.96 4.17 0.00 3.13 3.18 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 32 E 8.55 3.95 0.00 2.28 2.18 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 2.34 2.39 0.00 33 R 7.70 3.79 0.00 1.95 1.84 0.00 3.01 0.00 0.00 3.07 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.58 0.00 34 A 7.91 3.96 1.33 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 0.00 0.00 0.00 0.00 0.00 0.00 35 F 8.55 3.75 0.00 1.82 2.52 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 36 D 8.23 4.23 0.00 2.84 2.67 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 37 Q 8.15 4.02 0.00 2.20 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.81 0.00 0.00 0.00 0.00 0.00 2.35 2.34 0.00 38 G 8.11 3.44 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 39 A 7.82 3.83 0.84 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 40 D 8.27 4.28 0.00 2.88 2.74 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 41 A 8.08 4.02 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 42 I 7.80 3.65 2.01 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 1.02 0.93 0.00 0.00 43 Y 8.30 4.05 0.00 3.10 3.12 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 E 8.32 3.99 0.00 2.11 2.11 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 2.45 2.58 0.00 45 H 8.22 4.57 0.00 3.34 3.46 0.00 5.83 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46 I 7.72 3.75 1.87 0.00 0.00 0.87 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 0.80 0.81 0.00 0.00 47 N 7.43 4.87 0.00 2.44 2.61 0.00 0.00 6.50 7.74 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 E 7.66 3.97 0.00 2.13 1.71 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 2.20 2.17 0.00 49 G 8.59 4.00 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 0.00 50 K 7.84 4.34 0.00 1.91 1.89 0.00 1.70 0.00 0.00 1.69 0.00 0.00 2.74 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.41 1.38 7.81 51 L 7.68 4.41 0.00 1.45 1.59 0.96 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 52 W 9.09 4.47 0.00 3.44 3.16 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 53 K 8.07 3.96 0.00 1.93 1.97 0.00 1.64 0.00 0.00 1.80 0.00 0.00 3.07 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.31 1.40 7.81 54 H 8.32 4.56 0.00 3.22 3.33 0.00 5.64 0.00 0.00 0.00 0.00 7.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 55 I 7.28 4.10 1.79 0.00 0.00 1.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.44 0.92 0.00 0.00 56 K 7.29 2.77 0.00 1.12 1.47 0.00 1.84 0.00 0.00 1.62 0.00 0.00 2.85 0.00 0.00 3.19 0.00 0.00 0.00 0.00 1.60 1.23 7.81 57 H 8.03 4.02 0.00 3.29 3.46 0.00 5.51 0.00 0.00 0.00 0.00 6.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 58 K 6.97 3.81 0.00 0.79 1.19 0.00 1.15 0.00 0.00 1.39 0.00 0.00 2.91 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.05 0.87 7.81 59 Y 6.56 4.70 0.00 3.23 3.02 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 0.00 0.00 0.00 60 E 8.02 4.07 0.00 1.96 1.94 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 2.45 2.45 0.00 *61 N 8.39 4.79 0.00 2.49 2.63 0.00 0.00 6.46 7.44 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 62 K 8.16 4.25 0.00 1.74 1.70 0.00 1.84 0.00 0.00 1.84 0.00 0.00 3.04 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.39 1.48 7.81 * Residues marked with a * may have inaccurate shift predictions.