NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 12 T 4.3451 8.1701 110.9481 61.8271 70.3132 174.1870 13 A 4.6886 8.3316 129.3055 48.8687 18.8568 173.7428 14 L 4.4750 8.1052 119.5511 53.5306 47.8328 174.9257 15 N 5.2805 8.3153 121.2361 50.5594 37.2396 175.2305 16 T 4.2053 7.3685 116.6742 63.5091 69.1222 175.7408 *18 A 4.3310 7.9040 125.9189 52.2901 21.2098 178.9283 19 V 4.0657 7.4764 114.1389 60.2748 30.9596 176.7043 20 Q 4.5403 7.4771 118.4560 55.3775 33.0740 174.2242 21 K 5.1517 8.7189 121.9019 54.3422 35.6687 175.0222 22 W 5.3558 8.6209 117.9413 55.1351 31.7868 173.6889 23 H 4.7826 8.6341 115.9142 53.9987 29.7273 174.3833 24 F 4.1788 8.3570 123.4757 56.1488 41.1380 172.6387 25 V 4.2964 7.8558 117.6250 58.8940 32.7632 175.8511 26 L 4.2784 7.7372 128.6908 54.3786 42.2030 177.8565 *28 G 3.3530 7.9785 103.9173 45.6569 0.0000 172.9164 29 Y 4.9679 7.2317 115.1327 55.6886 41.0444 176.0972 30 K 4.3955 8.6060 121.3917 55.1755 33.6915 175.5798 31 C 4.6852 8.4452 126.8630 57.4879 33.4316 171.6597 32 E 4.8084 8.7624 127.1155 54.4648 31.3352 174.7382 33 I 4.7593 8.5598 127.9130 59.6712 39.6717 174.9207 34 L 4.9502 8.4729 124.3237 54.0177 43.7227 176.2105 35 A 4.3254 8.5060 121.0226 52.3857 19.2091 176.6610 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 12 T 8.17 4.35 4.31 0.00 0.00 0.00 0.00 0.00 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 0.00 0.00 13 A 8.33 4.69 1.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 L 8.11 4.47 0.00 1.68 1.59 0.97 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 15 N 8.32 5.28 0.00 2.49 2.79 0.00 0.00 5.54 5.77 0.00 0.00 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 T 7.37 4.21 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 1.16 0.00 0.00 *18 A 7.90 4.33 1.28 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 0.00 0.00 19 V 7.48 4.07 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 0.71 0.00 0.00 0.94 0.00 0.00 20 Q 7.48 4.54 0.00 2.10 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5.82 6.88 0.00 0.00 0.00 0.00 0.00 2.33 2.38 0.00 21 K 8.72 5.15 0.00 1.75 1.77 0.00 1.65 0.00 0.00 1.91 0.00 0.00 2.91 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.46 1.43 7.81 22 W 8.62 5.36 0.00 3.45 3.01 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 23 H 8.63 4.78 0.00 3.09 3.29 0.00 5.47 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 24 F 8.36 4.18 0.00 2.30 2.88 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 25 V 7.86 4.30 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 0.81 0.00 0.00 0.82 0.00 0.00 26 L 7.74 4.28 0.00 1.19 1.47 0.86 0.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.99 0.00 0.00 0.00 0.00 0.00 0.00 *28 G 7.98 3.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 Y 7.23 4.97 0.00 2.90 2.70 0.00 0.00 0.00 0.00 0.00 0.00 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 K 8.61 4.40 0.00 1.62 1.77 0.00 1.59 0.00 0.00 1.65 0.00 0.00 2.90 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.33 1.45 7.81 31 C 8.45 4.69 0.00 2.89 3.10 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 32 E 8.76 4.81 0.00 2.03 1.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.42 2.35 0.00 33 I 8.56 4.76 2.08 0.00 0.00 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.91 0.97 0.00 0.00 34 L 8.47 4.95 0.00 1.73 1.63 0.95 0.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 35 A 8.51 4.33 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 * Residues marked with a * may have inaccurate shift predictions.