NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 R 4.3281 8.1133 119.7064 56.7363 32.2808 177.8235 2 M 4.1404 7.7689 113.7369 55.9198 31.3992 176.4613 *4 Q 4.2426 8.9635 120.4196 56.2547 31.8976 176.5642 5 I 3.8291 8.2952 118.6290 64.6149 37.1318 180.2430 6 E 3.9396 8.1030 119.3445 56.1493 28.7640 177.8860 *8 K 4.4087 8.1974 118.4457 56.0873 34.2114 177.4714 9 L 4.4257 7.6986 118.2945 55.1987 41.5147 178.7945 *11 E 4.2294 8.3456 120.4395 56.4635 31.5743 176.8648 12 I 3.8981 8.1610 119.6085 64.6238 37.1566 180.0187 13 L 4.2755 8.0050 118.8388 54.7659 40.9629 178.6239 *15 K 4.4037 8.2820 120.5270 56.6930 33.8202 178.5984 16 L 4.4050 7.6762 118.5982 55.2758 41.2046 178.9523 *18 H 4.6559 8.3644 118.8811 56.4246 31.6863 174.2353 19 I 3.8386 8.2398 120.2628 64.5379 36.9902 179.3717 20 E 4.3358 8.2107 120.2891 56.2332 28.7224 178.2977 *22 E 4.4013 8.3988 119.1986 56.6450 31.5670 179.4605 23 L 4.0991 7.7340 118.8674 54.9465 41.1944 179.5961 *25 R 4.2484 8.1189 118.8806 56.4658 32.3372 177.5562 26 I 3.9627 7.8141 118.3447 64.3026 37.2551 179.0660 27 K 4.0222 7.8758 118.3772 56.6270 31.2255 178.2657 *29 L 4.3379 7.9778 120.6727 54.4526 43.4054 177.9039 30 L 4.4047 7.7765 115.8806 54.5965 41.8625 175.9943 *32 E 4.1244 7.7725 116.1591 56.0667 30.6089 175.9714 33 R 4.1262 8.4304 117.9449 56.6773 30.2577 176.5561 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 R 8.11 4.33 0.00 1.86 2.04 0.00 3.26 0.00 0.00 3.33 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.60 0.00 2 M 7.77 4.14 0.00 2.12 2.07 0.00 0.00 0.00 0.00 0.00 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.69 2.57 0.00 *4 Q 8.96 4.24 0.00 2.26 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.13 7.05 0.00 0.00 0.00 0.00 0.00 2.26 2.39 0.00 5 I 8.30 3.83 2.04 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 1.18 0.67 0.91 0.00 0.00 6 E 8.10 3.94 0.00 2.12 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 2.32 2.28 0.00 *8 K 8.20 4.41 0.00 2.16 1.88 0.00 1.83 0.00 0.00 1.82 0.00 0.00 2.83 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.43 1.04 7.81 9 L 7.70 4.43 0.00 1.91 1.67 0.92 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 *11 E 8.35 4.23 0.00 1.95 2.19 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 2.19 2.34 0.00 12 I 8.16 3.90 2.02 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 1.30 0.89 0.91 0.00 0.00 13 L 8.01 4.28 0.00 1.64 1.69 0.97 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.00 0.00 0.00 0.00 0.00 0.00 *15 K 8.28 4.40 0.00 2.10 1.90 0.00 1.60 0.00 0.00 1.82 0.00 0.00 2.97 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.41 1.56 7.81 16 L 7.68 4.40 0.00 1.93 1.66 0.92 0.77 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 *18 H 8.36 4.66 0.00 3.13 3.55 0.00 5.74 0.00 0.00 0.00 0.00 6.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19 I 8.24 3.84 2.00 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 1.30 0.55 0.90 0.00 0.00 20 E 8.21 4.34 0.00 1.90 1.97 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 2.34 2.40 0.00 *22 E 8.40 4.40 0.00 2.14 1.99 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 2.21 2.15 0.00 23 L 7.73 4.10 0.00 1.69 1.66 0.91 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.00 0.00 0.00 0.00 0.00 0.00 *25 R 8.12 4.25 0.00 1.99 2.02 0.00 3.30 0.00 0.00 3.22 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.65 0.00 26 I 7.81 3.96 1.99 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.67 0.90 0.00 0.00 27 K 7.88 4.02 0.00 1.74 1.82 0.00 1.73 0.00 0.00 1.70 0.00 0.00 2.97 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.47 1.58 7.81 *29 L 7.98 4.34 0.00 1.82 1.77 0.92 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 0.00 0.00 0.00 0.00 0.00 0.00 30 L 7.78 4.40 0.00 1.72 1.68 0.92 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.00 0.00 0.00 0.00 0.00 0.00 *32 E 7.77 4.12 0.00 2.10 1.99 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 2.17 2.34 0.00 33 R 8.43 4.13 0.00 1.82 1.88 0.00 3.24 0.00 0.00 3.26 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.62 0.00 * Residues marked with a * may have inaccurate shift predictions.