NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- *2 E 4.2190 8.4444 116.7753 56.6861 31.4026 178.1517 3 E 2.8648 6.9510 115.5277 55.2276 32.1900 176.6751 4 L 3.9492 8.3105 120.6488 58.4359 43.2076 178.6110 5 A 4.0129 8.1040 120.0321 54.8619 18.2387 179.2760 6 W 4.0354 8.2556 128.7689 61.2111 30.9903 178.8069 7 K 4.0367 8.4588 123.8298 59.9975 31.0664 180.9578 8 I 3.9115 8.0487 121.1072 63.9084 36.9450 178.2280 9 A 3.8407 8.0361 121.8353 55.1152 18.1108 179.5784 10 K 3.5730 7.7815 118.0035 59.6153 32.2701 178.6194 11 M 3.9524 7.8439 118.3418 58.7225 32.1951 178.3167 12 I 3.6484 7.8319 119.9952 64.3587 37.2036 178.6336 13 V 3.5364 7.9313 119.3365 66.0366 31.2665 178.1092 14 S 4.0667 8.1414 114.9915 61.6656 62.5868 176.2723 15 D 4.2497 7.9816 120.4098 57.1943 41.0068 178.1935 16 V 3.5545 7.7307 118.7288 66.5346 31.3850 177.9129 17 M 4.1294 8.3952 120.8766 59.1365 31.5502 179.5133 18 Q 4.0993 8.2335 122.4914 60.9255 28.3779 180.8752 19 Q 4.3599 8.2234 121.9990 59.9657 28.2516 179.8185 20 C 4.5289 8.0366 116.0951 61.4551 28.4522 174.4783 21 K 4.2892 7.6512 124.3034 56.5200 31.9486 176.3688 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 *2 E 8.44 4.22 0.00 1.73 1.79 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 2.13 2.37 0.00 3 E 6.95 2.86 0.00 2.16 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.38 2.48 0.00 4 L 8.31 3.95 0.00 1.82 1.69 0.94 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 5 A 8.10 4.01 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 6 W 8.26 4.04 0.00 3.58 3.28 0.00 0.00 0.00 0.00 0.00 0.00 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 K 8.46 4.04 0.00 1.80 1.81 0.00 1.86 0.00 0.00 1.65 0.00 0.00 2.88 0.00 0.00 2.75 0.00 0.00 0.00 0.00 1.38 1.36 7.81 8 I 8.05 3.91 1.86 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 1.68 0.68 0.89 0.00 0.00 9 A 8.04 3.84 1.15 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 0.00 0.00 0.00 0.00 0.00 10 K 7.78 3.57 0.00 1.52 1.81 0.00 1.69 0.00 0.00 1.56 0.00 0.00 2.97 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.37 1.30 7.81 11 M 7.84 3.95 0.00 2.26 2.09 0.00 0.00 0.00 0.00 0.00 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.57 2.56 0.00 12 I 7.83 3.65 1.93 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.75 0.87 0.00 0.00 13 V 7.93 3.54 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 1.05 0.00 0.00 0.85 0.00 0.00 14 S 8.14 4.07 0.00 4.07 3.88 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 0.00 0.00 0.00 15 D 7.98 4.25 0.00 2.80 2.80 0.00 0.00 0.00 0.00 0.00 0.00 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 V 7.73 3.55 2.20 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 0.95 0.00 0.00 0.92 0.00 0.00 17 M 8.40 4.13 0.00 2.04 2.19 0.00 0.00 0.00 0.00 0.00 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.59 2.83 0.00 18 Q 8.23 4.10 0.00 2.15 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.76 7.00 0.00 0.00 0.00 0.00 0.00 2.31 2.24 0.00 19 Q 8.22 4.36 0.00 2.13 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.94 0.00 0.00 0.00 0.00 0.00 2.31 2.27 0.00 20 C 8.04 4.53 0.00 2.98 3.00 0.00 0.00 0.00 0.00 0.00 0.00 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 K 7.65 4.29 0.00 1.76 1.71 0.00 1.73 0.00 0.00 1.74 0.00 0.00 3.11 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.44 1.54 7.81 * Residues marked with a * may have inaccurate shift predictions.