NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.3330 8.3044 120.3265 54.6344 34.1911 174.7037 2 V 3.9235 7.5799 118.6887 59.2915 32.0463 174.4995 3 S 4.4703 9.1363 124.1040 57.6189 66.1494 174.5870 4 K 3.8968 8.4855 121.3757 59.4581 31.7151 179.1719 5 L 3.9232 7.8852 119.9534 58.4431 42.0308 179.0109 6 S 4.4783 8.1806 116.4236 61.1038 62.6622 176.5748 7 Q 3.9318 8.3787 122.4727 59.0152 28.7245 178.0251 8 L 3.9295 8.1313 121.4854 58.2483 42.0048 178.7885 9 Q 3.9984 8.4691 118.3918 59.3766 28.4367 179.2509 10 T 3.8999 7.8320 115.3496 66.8137 68.8325 176.3462 11 E 4.1853 8.4825 120.7664 59.1364 29.3499 179.9150 12 L 4.2183 8.1324 116.6431 55.1479 41.4024 178.9242 *14 A 4.1998 8.0001 123.4489 52.2644 20.6387 179.8864 15 A 3.9901 8.1108 117.5652 55.0799 18.3087 179.8153 16 L 3.9156 8.3325 117.9889 58.0023 41.7633 179.7548 17 L 3.9766 7.8424 118.3057 57.8734 41.4390 179.0753 18 E 4.0034 8.2596 118.4501 59.0192 29.6350 178.3597 19 S 4.4074 7.7309 112.4146 58.9687 63.2808 174.7890 20 G 4.0965 7.9855 111.7274 45.2534 0.0000 173.4940 21 L 3.8519 7.6361 121.1729 55.5685 42.5054 177.8739 22 S 4.5773 8.4065 120.3754 57.3854 65.7296 175.1545 23 K 3.9618 8.4357 123.0839 59.6303 31.8821 178.7817 24 E 3.9098 8.1844 118.2986 59.4238 29.4488 179.0382 25 A 4.0092 8.0459 120.7126 55.0820 18.4276 179.7239 26 L 3.9608 7.9254 117.6196 57.8622 41.4465 179.6853 27 I 3.6954 8.3423 120.0806 64.4714 37.4825 177.8511 28 Q 4.0786 8.4625 120.4566 59.1714 28.9386 178.1768 29 A 4.0219 8.1675 121.7573 55.2330 18.1811 179.5789 30 L 4.0961 7.9257 116.6539 57.7099 41.7664 179.3624 31 G 3.7887 7.6579 103.0356 46.0248 0.0000 173.9853 32 E 4.2961 7.8114 125.4673 56.6540 29.6633 176.3200 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 M 8.30 4.33 0.00 2.02 2.20 0.00 0.00 0.00 0.00 0.00 -0.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.50 2.54 0.00 2 V 7.58 3.92 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 0.80 0.00 0.00 0.93 0.00 0.00 3 S 9.14 4.47 0.00 4.09 3.99 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 4 K 8.49 3.90 0.00 1.82 1.90 0.00 1.67 0.00 0.00 1.74 0.00 0.00 2.88 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.53 1.50 7.81 5 L 7.89 3.92 0.00 1.75 1.66 0.92 0.98 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 6 S 8.18 4.48 0.00 4.01 3.90 0.00 0.00 0.00 0.00 0.00 0.00 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 Q 8.38 3.93 0.00 2.14 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.81 0.00 0.00 0.00 0.00 0.00 2.35 2.41 0.00 8 L 8.13 3.93 0.00 1.85 1.81 0.92 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 9 Q 8.47 4.00 0.00 2.25 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 6.58 0.00 0.00 0.00 0.00 0.00 2.38 2.58 0.00 10 T 7.83 3.90 4.42 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 1.21 0.00 0.00 11 E 8.48 4.19 0.00 2.07 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.39 2.52 0.00 12 L 8.13 4.22 0.00 1.79 1.67 0.92 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 0.00 0.00 0.00 0.00 0.00 0.00 *14 A 8.00 4.20 1.39 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 0.00 0.00 0.00 0.00 0.00 0.00 15 A 8.11 3.99 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 16 L 8.33 3.92 0.00 1.67 1.73 0.92 0.48 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 17 L 7.84 3.98 0.00 1.82 1.71 0.92 0.83 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 18 E 8.26 4.00 0.00 1.95 1.98 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 2.32 2.32 0.00 19 S 7.73 4.41 0.00 4.09 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 20 G 7.99 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 21 L 7.64 3.85 0.00 1.73 1.62 0.92 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.00 0.00 0.00 0.00 0.00 0.00 22 S 8.41 4.58 0.00 4.26 3.97 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 23 K 8.44 3.96 0.00 1.84 1.84 0.00 1.72 0.00 0.00 1.82 0.00 0.00 2.92 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.50 1.53 7.81 24 E 8.18 3.91 0.00 2.09 1.98 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 2.40 2.44 0.00 25 A 8.05 4.01 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 26 L 7.93 3.96 0.00 1.86 1.73 0.92 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 27 I 8.34 3.70 2.03 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 1.41 0.65 0.91 0.00 0.00 28 Q 8.46 4.08 0.00 2.09 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.80 0.00 0.00 0.00 0.00 0.00 2.36 2.38 0.00 29 A 8.17 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 30 L 7.93 4.10 0.00 1.82 1.75 0.92 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 31 G 7.66 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 0.00 0.00 0.00 32 E 7.81 4.30 0.00 2.10 1.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.50 2.46 0.00 * Residues marked with a * may have inaccurate shift predictions.