NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 6 S 4.4571 8.3349 115.2924 58.1974 63.9089 173.5680 7 L 4.4414 8.1244 123.9049 54.8281 43.4082 177.3646 8 Q 3.9160 8.7917 120.5276 59.3507 29.4497 177.6899 9 D 4.4858 7.8243 119.7287 57.2528 41.0001 177.3252 10 P 4.4946 0.0000 0.0000 65.2191 31.2426 178.6085 11 F 4.0663 8.1737 119.4527 61.3723 39.3842 177.3354 12 L 3.8362 8.1417 118.7828 57.6903 41.1632 179.2472 13 N 4.5953 8.8022 116.7675 56.1523 38.3753 177.3497 14 A 3.9398 8.0596 122.1937 55.1920 18.5340 179.6435 15 L 3.7743 7.4225 117.2129 57.7488 41.6347 179.8904 16 R 4.0581 8.0723 119.8873 58.9674 29.9400 178.3483 17 R 3.8506 8.0168 117.8192 59.4930 30.0287 177.0763 18 E 4.2072 8.3400 113.9378 56.0087 29.9935 176.2935 19 R 3.7067 7.4956 117.3620 57.0005 28.2829 176.8213 20 V 3.8567 7.5510 116.8419 61.9084 32.5110 174.5017 21 P 4.6239 0.0000 0.0000 62.9885 32.6005 175.7278 22 V 4.9422 9.2201 116.1274 59.7409 36.6886 174.3916 23 S 5.0738 8.8988 117.5126 56.8811 65.8450 173.4413 24 I 4.8198 8.6581 126.0544 59.8098 39.4864 174.2407 25 Y 4.7220 9.3221 126.2171 57.0325 39.4820 175.7306 26 L 4.9458 8.9895 124.2895 53.5998 43.6522 178.3072 27 V 3.7724 8.9535 114.2969 63.3455 31.4179 176.9810 28 N 4.7062 8.2166 116.1171 52.3704 37.7242 175.6530 29 G 4.0994 8.3329 108.6914 45.3340 0.0000 174.3698 30 I 3.9295 8.1292 121.1870 61.2372 38.3907 174.8878 31 K 4.5288 8.4878 126.8638 54.6123 33.8165 175.0911 32 L 4.7793 8.6712 127.6419 53.3167 44.3437 175.5669 33 Q 5.4262 8.6004 119.2680 52.5372 32.7871 176.4955 34 G 3.9412 7.3642 107.0238 46.3072 0.0000 170.7281 35 Q 4.8872 7.4970 118.1063 53.9690 32.7627 175.3505 36 I 4.3279 8.2250 123.3404 61.2128 37.5849 176.2286 37 E 4.0312 9.0469 129.7502 58.8947 30.3040 176.0835 38 S 4.7052 7.6713 111.5744 58.2295 65.8965 173.9597 39 F 5.1391 7.7300 114.8264 56.2930 38.5149 173.3355 40 D 4.9368 8.7023 121.4404 52.4877 41.5139 175.9919 41 Q 4.2499 9.0728 116.0525 58.6293 29.0860 176.8597 42 F 4.8342 8.4451 113.9740 57.8402 40.9966 175.3448 43 V 5.0836 8.8460 112.6568 59.7332 36.7227 174.4805 44 I 5.0366 8.6642 121.8376 59.7366 41.1332 174.6899 45 L 4.9015 9.1839 127.6004 53.5027 43.2880 175.1772 46 L 5.0986 8.8198 126.8875 53.1638 44.4799 174.8239 47 K 5.0895 8.6379 127.1596 53.9619 34.9949 173.1853 48 N 4.6816 8.3908 128.9849 53.5100 45.3803 175.5044 49 T 3.9953 9.1658 110.8586 66.0047 68.2786 173.8248 50 V 4.5004 7.3814 112.0469 59.1065 35.2383 174.3988 51 S 4.8280 8.4871 117.5990 58.1783 63.3546 173.9741 52 Q 4.6849 9.2627 123.5253 54.5188 31.5596 174.2158 53 M 4.6491 8.5098 121.3194 54.3079 33.4961 174.9279 54 V 4.3056 8.5927 127.4256 61.3290 33.9127 174.4426 55 Y 4.5735 8.5264 125.9211 57.2007 38.5382 176.4327 56 K 3.9788 9.2035 126.0806 59.7953 32.3896 178.9297 57 H 4.1844 8.2798 112.5570 57.6947 28.7242 175.6460 58 A 4.5733 8.3757 122.5801 52.0222 19.3419 176.1964 59 I 4.7680 7.7131 118.1930 60.1898 38.5909 175.4829 60 S 4.6682 9.0523 119.7823 60.1940 64.6337 174.3801 61 T 4.6051 7.6961 112.8284 60.4153 70.8361 172.4156 62 V 4.8181 8.4521 126.8841 61.3568 33.7091 174.8464 63 V 4.4661 9.1639 129.7164 60.4498 33.1412 173.3086 64 P 4.8509 0.0000 0.0000 62.6294 31.5031 177.1862 65 S 4.5238 8.7619 117.8290 60.4900 63.5278 174.2138 66 R 4.6478 7.7242 114.9409 53.8932 31.8646 172.7540 67 P 4.2549 0.0000 0.0000 63.2010 31.7995 176.2142 68 V 4.2822 7.9975 120.2010 60.7440 33.7146 175.5855 69 S 4.1041 8.7263 125.7072 59.7894 63.4287 174.8119 *70 H 4.5315 8.5469 117.8224 54.9473 28.4136 174.2625 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 6 S 8.33 4.46 0.00 3.86 3.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7 L 8.12 4.44 0.00 1.79 1.61 0.92 0.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 0.00 0.00 0.00 0.00 0.00 0.00 8 Q 8.79 3.92 0.00 2.07 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.89 0.00 0.00 0.00 0.00 0.00 2.36 2.39 0.00 9 D 7.82 4.49 0.00 2.85 2.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 10 P 0.00 4.49 0.00 2.22 2.14 0.00 3.76 0.00 0.00 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.15 2.19 0.00 11 F 8.17 4.07 0.00 3.14 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 12 L 8.14 3.84 0.00 0.77 0.56 0.39 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 13 N 8.80 4.60 0.00 2.96 2.96 0.00 0.00 6.88 7.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 14 A 8.06 3.94 1.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 L 7.42 3.77 0.00 1.69 1.62 0.45 0.98 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 16 R 8.07 4.06 0.00 2.17 2.16 0.00 3.21 0.00 0.00 3.29 7.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.70 0.00 17 R 8.02 3.85 0.00 1.80 2.22 0.00 3.30 0.00 0.00 3.23 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.62 0.00 18 E 8.34 4.21 0.00 2.00 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 2.44 2.38 0.00 19 R 7.50 3.71 0.00 1.93 1.96 0.00 3.16 0.00 0.00 3.14 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.60 0.00 20 V 7.55 3.86 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.69 0.00 0.00 0.88 0.00 0.00 21 P 0.00 4.62 0.00 2.11 1.94 0.00 3.57 0.00 0.00 3.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.11 0.00 22 V 9.22 4.94 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 0.83 0.00 0.00 1.00 0.00 0.00 23 S 8.90 5.07 0.00 3.85 3.48 0.00 0.00 0.00 0.00 0.00 0.00 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 I 8.66 4.82 1.83 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 1.25 0.76 0.92 0.00 0.00 25 Y 9.32 4.72 0.00 2.88 2.94 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 0.00 0.00 0.00 26 L 8.99 4.95 0.00 1.79 1.62 0.94 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 27 V 8.95 3.77 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 0.75 0.00 0.00 1.00 0.00 0.00 28 N 8.22 4.71 0.00 2.82 2.93 0.00 0.00 6.36 7.00 0.00 0.00 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 G 8.33 4.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 30 I 8.13 3.93 1.99 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 1.13 0.62 0.89 0.00 0.00 31 K 8.49 4.53 0.00 1.29 1.50 0.00 1.64 0.00 0.00 1.60 0.00 0.00 2.81 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.02 0.59 7.81 32 L 8.67 4.78 0.00 1.53 1.49 0.96 0.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 33 Q 8.60 5.43 0.00 1.83 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.76 7.08 0.00 0.00 0.00 0.00 0.00 2.16 2.09 0.00 34 G 7.36 3.94 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 0.00 0.00 0.00 0.00 0.00 0.00 35 Q 7.50 4.89 0.00 1.97 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.88 6.93 0.00 0.00 0.00 0.00 0.00 2.25 2.29 0.00 36 I 8.23 4.33 1.90 0.00 0.00 0.81 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 0.81 1.05 0.00 0.00 37 E 9.05 4.03 0.00 2.01 2.12 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 2.32 2.26 0.00 38 S 7.67 4.71 0.00 3.85 3.63 0.00 0.00 0.00 0.00 0.00 0.00 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 F 7.73 5.14 0.00 3.26 2.97 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 0.00 0.00 0.00 0.00 40 D 8.70 4.94 0.00 2.96 2.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 41 Q 9.07 4.25 0.00 1.98 1.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.90 6.92 0.00 0.00 0.00 0.00 0.00 2.34 2.43 0.00 42 F 8.45 4.83 0.00 3.08 3.26 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 0.00 43 V 8.85 5.08 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.31 0.00 0.00 0.96 0.00 0.00 44 I 8.66 5.04 1.89 0.00 0.00 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 1.28 0.82 0.95 0.00 0.00 45 L 9.18 4.90 0.00 1.57 1.59 0.90 0.24 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 46 L 8.82 5.10 0.00 1.74 1.49 0.88 0.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 0.00 0.00 0.00 0.00 47 K 8.64 5.09 0.00 1.89 1.61 0.00 1.68 0.00 0.00 1.77 0.00 0.00 2.87 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.33 1.39 7.81 48 N 8.39 4.68 0.00 2.64 1.78 0.00 0.00 7.19 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 49 T 9.17 4.00 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 50 V 7.38 4.50 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 0.82 0.00 0.00 0.93 0.00 0.00 51 S 8.49 4.83 0.00 3.74 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 52 Q 9.26 4.68 0.00 2.04 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.79 0.00 0.00 0.00 0.00 0.00 2.37 2.25 0.00 53 M 8.51 4.65 0.00 1.92 1.92 0.00 0.00 0.00 0.00 0.00 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.31 2.08 0.00 54 V 8.59 4.31 2.16 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 1.01 0.00 0.00 0.92 0.00 0.00 55 Y 8.53 4.57 0.00 2.95 2.44 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 56 K 9.20 3.98 0.00 1.85 1.90 0.00 1.82 0.00 0.00 1.82 0.00 0.00 2.94 0.00 0.00 3.17 0.00 0.00 0.00 0.00 1.49 1.55 7.81 57 H 8.28 4.18 0.00 3.28 3.52 0.00 5.53 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 58 A 8.38 4.57 1.42 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 59 I 7.71 4.77 2.04 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 1.39 0.86 0.98 0.00 0.00 60 S 9.05 4.67 0.00 3.83 4.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 61 T 7.70 4.61 4.21 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 1.24 0.00 0.00 62 V 8.45 4.82 2.22 0.00 0.00 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 0.98 0.00 0.00 63 V 9.16 4.47 2.30 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 1.01 0.00 0.00 1.09 0.00 0.00 64 P 0.00 4.85 0.00 2.09 1.91 0.00 3.87 0.00 0.00 4.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.10 0.00 65 S 8.76 4.52 0.00 3.90 4.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 66 R 7.72 4.65 0.00 1.89 1.89 0.00 3.05 0.00 0.00 3.22 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.63 0.00 67 P 0.00 4.25 0.00 2.06 2.06 0.00 3.62 0.00 0.00 3.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.11 0.00 68 V 8.00 4.28 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 0.73 0.00 0.00 0.86 0.00 0.00 69 S 8.73 4.10 0.00 3.89 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *70 H 8.55 4.53 0.00 2.67 2.88 0.00 5.87 0.00 0.00 0.00 0.00 6.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.