NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 V 3.9324 8.0501 120.3927 62.5382 31.5045 172.5960 2 A 4.4834 7.9975 126.5630 48.4759 20.6480 174.4070 3 P 4.4201 0.0000 0.0000 62.3954 33.0721 175.3786 4 T 4.1239 8.1640 111.5602 61.5454 70.6479 175.0916 5 L 3.9602 8.2887 121.3986 58.5650 42.1093 178.7035 6 T 3.9650 7.9454 108.9637 64.5358 68.6477 176.2121 7 A 4.0334 7.8531 123.7233 55.1929 18.3489 179.8378 8 R 3.8676 7.7743 116.7486 59.3331 30.0666 179.3085 9 L 3.6309 7.9478 118.8322 57.5883 41.4249 178.7853 10 Y 4.0420 8.1176 119.6650 60.9684 38.5966 178.2959 11 S 3.8052 7.8754 112.5941 61.0134 62.5447 175.5203 12 L 4.2311 7.8442 120.8021 56.1942 42.0143 177.6501 13 L 4.8235 7.7605 115.1115 53.5515 44.6287 178.3709 14 F 5.3176 7.8201 115.8075 59.6285 39.8258 176.9596 15 R 3.7470 7.7488 120.5516 58.9998 30.0232 177.4572 16 R 4.3689 7.6723 116.7929 55.5023 31.8349 177.6789 17 T 4.0055 8.5365 120.1782 66.4493 68.5325 177.1150 18 S 4.1674 7.9831 115.9481 61.9400 63.2358 176.3957 19 T 3.8843 7.9207 117.1658 64.2972 66.9459 175.5948 20 F 4.7586 9.1028 124.2590 60.2622 39.3662 176.8457 21 A 4.0182 7.9208 120.2461 54.1734 18.4296 179.3372 22 L 3.8355 7.8463 119.0263 58.8102 42.1673 179.2062 23 T 3.8313 7.7388 115.5274 66.8600 68.3064 176.5660 24 I 3.6334 7.1725 121.1388 63.8028 37.0276 178.6696 25 V 3.5372 7.6021 119.2478 66.1216 31.5830 178.3805 26 V 3.8098 8.2416 118.6033 65.7288 31.3568 178.1788 27 G 3.5389 8.2541 105.5881 47.8952 0.0000 175.4668 28 A 4.2581 8.1529 123.7868 54.8361 18.1760 179.7768 29 L 4.0768 7.8890 117.2757 57.9571 41.6954 179.7508 30 F 4.0883 8.6186 117.6624 60.3767 38.9020 177.5157 31 F 4.1603 9.0087 120.7715 61.2361 39.1625 176.6503 32 E 3.9249 8.8005 119.2564 59.3815 29.4830 178.7954 33 R 3.8190 7.7316 118.4488 59.3824 30.0800 178.3364 34 A 3.9296 7.9320 120.5592 55.0358 18.3208 179.4092 35 F 3.8104 8.1985 119.5547 61.4623 39.3260 177.1528 36 D 4.2235 8.1155 118.5182 57.3775 40.6128 178.8159 37 Q 4.0211 8.1066 118.7279 58.7417 28.7118 179.0891 38 G 3.4249 8.1884 106.6605 47.7973 0.0000 175.6360 39 A 3.8286 7.8183 124.3319 54.7047 18.2223 179.4396 40 D 4.2859 8.2454 117.3519 57.4161 40.8789 178.9062 41 A 4.0018 8.0358 121.3258 55.1135 18.3693 179.7993 42 I 3.6659 7.7965 118.3464 64.6101 37.0827 177.9693 43 Y 4.0638 8.3061 120.6316 60.9558 38.4357 178.1440 44 E 3.9711 8.3477 118.2888 59.4522 29.8242 178.5846 45 H 4.5281 8.2864 119.7876 58.8670 29.7725 177.4190 46 I 3.7532 7.7201 120.3191 63.2260 37.1648 176.3371 47 N 4.8793 7.4383 117.5274 52.1490 38.9277 173.9275 48 E 3.9803 7.8022 119.7389 57.8796 29.9583 177.7810 49 G 4.0174 8.7138 114.2155 45.4105 0.0000 173.8221 50 K 4.3532 7.8228 117.5951 57.2750 33.3776 177.2338 51 L 4.3984 7.6453 118.2734 53.5688 42.7183 177.3059 52 W 4.4126 9.0838 131.1104 60.8364 30.2974 178.5126 53 K 3.8496 8.0855 116.7942 59.9003 32.0239 178.1385 54 H 4.5404 8.1921 117.3409 57.2790 29.1509 176.4135 55 I 4.0931 7.3038 112.6070 60.4668 38.5582 177.1278 56 K 2.7341 7.3193 122.8821 59.8299 31.2943 177.5726 57 H 3.9387 8.1011 114.4117 59.0490 27.7417 177.1905 58 K 3.3647 7.0733 119.4581 58.1192 31.7384 177.1040 59 Y 4.7238 7.5098 114.4251 57.6607 39.7446 175.3496 60 E 4.4158 7.4130 121.4476 55.5081 31.8952 176.6220 *61 N 4.6980 8.4110 113.4427 52.3436 39.3936 170.0979 62 K 4.1546 8.4962 122.1456 56.9207 32.1901 176.4707 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 3.93 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 8.00 4.48 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 3 P 0.00 4.42 0.00 2.06 2.00 0.00 3.69 0.00 0.00 3.91 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 8.16 4.12 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 8.29 3.96 0.00 1.78 1.71 0.91 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 6 T 7.95 3.96 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 1.28 0.00 0.00 7 A 7.85 4.03 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 8 R 7.77 3.87 0.00 1.88 1.94 0.00 3.29 0.00 0.00 3.28 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 1.79 0.00 9 L 7.95 3.63 0.00 1.68 0.97 0.95 0.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 10 Y 8.12 4.04 0.00 3.22 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 11 S 7.88 3.81 0.00 3.96 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 12 L 7.84 4.23 0.00 1.59 1.59 0.87 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 13 L 7.76 4.82 0.00 1.34 1.61 0.76 0.87 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 14 F 7.82 5.32 0.00 3.21 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 15 R 7.75 3.75 0.00 0.87 1.65 0.00 3.25 0.00 0.00 3.10 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.57 0.00 16 R 7.67 4.37 0.00 1.90 1.84 0.00 3.18 0.00 0.00 3.33 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.67 0.00 17 T 8.54 4.01 4.26 0.00 0.00 0.00 0.00 0.00 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 7.98 4.17 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 19 T 7.92 3.88 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 1.41 0.00 0.00 20 F 9.10 4.76 0.00 3.46 3.06 0.00 0.00 0.00 0.00 0.00 0.00 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 7.92 4.02 1.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 7.85 3.84 0.00 1.93 1.87 0.92 0.80 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 23 T 7.74 3.83 4.26 0.00 0.00 0.00 0.00 0.00 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 7.17 3.63 1.83 0.00 0.00 0.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.04 0.22 0.79 0.00 0.00 25 V 7.60 3.54 2.23 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 1.01 0.00 0.00 0.99 0.00 0.00 26 V 8.24 3.81 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 0.90 0.00 0.00 0.99 0.00 0.00 27 G 8.25 3.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 8.15 4.26 1.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 7.89 4.08 0.00 2.09 1.83 0.99 1.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 0.00 0.00 0.00 0.00 0.00 0.00 30 F 8.62 4.09 0.00 3.26 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 9.01 4.16 0.00 3.10 3.32 0.00 0.00 0.00 0.00 0.00 0.00 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 8.80 3.92 0.00 2.29 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.35 2.41 0.00 33 R 7.73 3.82 0.00 1.80 1.82 0.00 3.05 0.00 0.00 3.04 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.59 0.00 34 A 7.93 3.93 1.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 8.20 3.81 0.00 2.04 2.57 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 36 D 8.12 4.22 0.00 2.85 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 8.11 4.02 0.00 2.21 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 2.34 2.34 0.00 38 G 8.19 3.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 0.85 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 0.00 0.00 40 D 8.25 4.29 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 8.04 4.00 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 3.67 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 0.92 0.94 0.00 0.00 43 Y 8.31 4.06 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 8.35 3.97 0.00 2.12 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 2.43 2.55 0.00 45 H 8.29 4.53 0.00 3.34 3.44 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 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.83 0.82 0.00 0.00 47 N 7.44 4.88 0.00 2.44 2.61 0.00 0.00 6.50 7.51 0.00 0.00 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 7.80 3.98 0.00 2.11 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 8.71 4.02 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 0.00 0.00 0.00 50 K 7.82 4.35 0.00 1.90 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 7.65 4.40 0.00 1.44 1.58 0.93 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 52 W 9.08 4.41 0.00 3.43 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 8.09 3.85 0.00 1.93 1.97 0.00 1.64 0.00 0.00 1.70 0.00 0.00 3.07 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.30 1.42 7.81 54 H 8.19 4.54 0.00 3.25 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 7.30 4.09 1.80 0.00 0.00 1.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.55 0.92 0.00 0.00 56 K 7.32 2.73 0.00 1.16 1.48 0.00 1.86 0.00 0.00 1.60 0.00 0.00 2.84 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.63 1.20 7.81 57 H 8.10 3.94 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 7.07 3.36 0.00 0.79 1.11 0.00 1.18 0.00 0.00 1.39 0.00 0.00 2.93 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.07 0.87 7.81 59 Y 7.51 4.72 0.00 3.04 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 7.41 4.42 0.00 1.84 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.43 2.49 0.00 *61 N 8.41 4.70 0.00 2.49 2.63 0.00 0.00 6.48 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 8.50 4.15 0.00 1.71 1.75 0.00 1.69 0.00 0.00 1.77 0.00 0.00 3.09 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.45 1.52 7.81 * Residues marked with a * may have inaccurate shift predictions.