NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 8 G 3.7489 8.3501 109.7343 44.7925 0.0000 172.7822 9 A 4.3015 8.6647 123.1393 49.5444 17.4770 171.9744 *18 V 3.8550 8.0253 119.8617 62.2273 33.5992 174.9282 19 K 4.1672 8.1438 123.3833 54.4737 31.2046 174.7281 *40 R 4.1503 7.6269 121.2935 55.4471 31.4854 173.2636 41 P 4.5510 0.0000 0.0000 62.8874 31.5191 175.6193 *79 A 4.0392 7.7276 120.6632 52.1436 21.0592 177.5744 *81 M 4.1607 8.8146 119.6729 55.4930 32.5322 176.8658 *93 V 4.1589 8.6493 110.6387 63.1878 33.6081 173.7523 94 Y 4.8811 8.3577 120.5651 56.8805 42.0366 174.1378 95 Y 5.0758 8.5231 119.4099 57.3656 42.2994 173.9075 96 C 4.5894 8.5072 111.1733 58.1840 32.0129 173.0741 97 A 4.4722 8.0480 123.2549 51.1582 21.9468 175.0281 98 R 4.4751 8.1804 117.3775 55.2741 31.9366 176.7598 *99 M 4.3172 8.3288 113.9888 54.6800 33.0528 175.8104 *108 D 4.6700 8.3084 118.7412 53.1044 41.8274 175.9722 *110 W 4.8366 7.7138 117.5164 57.2886 30.2531 173.7673 111 G 4.2515 9.0035 117.3757 47.9244 0.0000 173.2577 *114 T 4.1649 8.4230 118.9260 63.7975 70.7017 174.1929 115 T 4.4325 7.9972 120.4825 62.5872 71.2962 174.1414 *118 V 3.7157 8.1213 120.8218 63.1281 31.1934 175.2318 *120 S 4.2551 8.4114 121.5358 58.6319 63.0752 174.1764 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 8 G 8.35 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 9 A 8.66 4.30 1.30 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 0.00 0.00 0.00 *18 V 8.03 3.86 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.68 0.00 0.00 0.89 0.00 0.00 19 K 8.14 4.17 0.00 1.67 1.71 0.00 1.78 0.00 0.00 1.68 0.00 0.00 2.92 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.27 1.54 7.81 *40 R 7.63 4.15 0.00 1.82 1.90 0.00 3.23 0.00 0.00 3.19 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.49 0.00 41 P 0.00 4.55 0.00 2.03 2.05 0.00 3.70 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 2.06 0.00 *79 A 7.73 4.04 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 *81 M 8.81 4.16 0.00 1.95 1.78 0.00 0.00 0.00 0.00 0.00 -0.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.39 2.43 0.00 *93 V 8.65 4.16 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 0.63 0.00 0.00 0.98 0.00 0.00 94 Y 8.36 4.88 0.00 2.78 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 95 Y 8.52 5.08 0.00 2.81 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 96 C 8.51 4.59 0.00 2.83 2.79 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 97 A 8.05 4.47 0.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 98 R 8.18 4.48 0.00 1.89 1.88 0.00 3.08 0.00 0.00 3.36 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.80 0.00 *99 M 8.33 4.32 0.00 1.81 1.92 0.00 0.00 0.00 0.00 0.00 -0.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.42 2.60 0.00 *108 D 8.31 4.67 0.00 2.86 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 *110 W 7.71 4.84 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 0.00 111 G 9.00 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 0.00 0.00 0.00 0.00 *114 T 8.42 4.16 4.19 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 1.20 0.00 0.00 115 T 8.00 4.43 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 1.22 0.00 0.00 *118 V 8.12 3.72 2.10 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 0.81 0.00 0.00 0.95 0.00 0.00 *120 S 8.41 4.26 0.00 3.93 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 * Residues marked with a * may have inaccurate shift predictions.