NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 R 4.2766 8.1127 120.8596 56.5782 32.2644 177.3332 2 M 3.8967 7.9146 117.0597 57.4153 32.1459 176.3557 3 K 3.9584 8.3568 120.9253 60.1423 32.7466 178.8164 4 Q 4.0513 7.9208 120.5698 60.0663 28.0105 181.0078 5 I 3.8744 7.5672 121.5527 64.3751 37.1360 178.1291 6 E 3.9418 8.3199 119.5322 59.8939 29.3437 179.4271 7 D 4.3296 8.5302 119.0051 57.1813 40.8281 178.7913 8 K 3.9675 8.2607 120.2768 59.3470 32.1070 178.8860 9 L 3.9617 8.1738 119.5997 57.6938 41.5354 178.9593 10 E 3.8835 8.4170 119.5100 59.3213 29.5569 178.6111 11 E 3.8964 8.1190 119.2056 59.2994 29.6430 178.8016 12 I 3.6523 8.1241 120.2877 64.2774 37.0664 178.2885 13 L 3.5365 8.0386 120.1619 57.8244 41.4440 179.6421 14 S 4.0365 7.8375 112.8456 61.1676 62.2797 176.3722 15 K 4.0202 8.0587 121.3408 59.4009 31.7047 179.3619 16 L 4.0071 8.0464 119.5791 57.8567 41.4215 179.1491 17 Y 4.3735 7.9639 117.2200 61.3541 37.7861 178.0482 18 H 4.1757 8.4539 119.1352 59.4174 29.9046 177.3017 19 I 3.6602 7.9358 121.5454 64.5146 36.8241 178.1571 20 C 4.1300 8.3771 117.6559 62.9871 28.0452 175.9198 21 N 4.3137 8.3142 117.9833 56.4748 38.1577 177.3815 22 E 3.9554 8.2653 119.9693 59.4007 29.4533 179.4611 23 L 4.0442 8.3684 119.2120 57.4774 41.6105 179.3345 24 A 3.9708 8.2794 121.2129 54.9658 18.2780 179.7161 25 R 3.8025 7.9467 117.1940 59.5300 30.1217 178.6976 26 I 3.6433 7.7595 119.5649 64.3325 37.1499 178.0253 27 K 3.8063 8.1606 120.4653 59.5993 31.7080 178.5160 28 K 3.9123 7.9675 118.3438 59.5873 32.4376 178.4327 29 L 4.1384 7.9512 119.2495 57.8459 41.2196 179.5639 30 L 4.1777 8.4118 119.3411 57.4220 41.3088 179.4116 31 G 3.7542 7.8710 104.4362 46.5112 0.0000 174.4459 32 E 4.5838 7.7532 122.3877 56.8801 29.7761 177.0972 *33 R 4.1270 7.5107 123.6504 56.6515 29.4205 180.0642 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 4.28 0.00 1.82 1.99 0.00 3.30 0.00 0.00 3.33 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.57 0.00 2 M 7.91 3.90 0.00 2.25 2.03 0.00 0.00 0.00 0.00 0.00 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.82 2.71 0.00 3 K 8.36 3.96 0.00 1.86 1.79 0.00 1.77 0.00 0.00 1.85 0.00 0.00 2.96 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.51 1.51 7.81 4 Q 7.92 4.05 0.00 2.10 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.69 0.00 0.00 0.00 0.00 0.00 2.36 2.02 0.00 5 I 7.57 3.87 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 1.52 0.44 0.90 0.00 0.00 6 E 8.32 3.94 0.00 2.14 2.02 0.00 0.00 0.00 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 2.52 0.00 7 D 8.53 4.33 0.00 2.79 2.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8 K 8.26 3.97 0.00 1.96 1.93 0.00 1.51 0.00 0.00 1.73 0.00 0.00 3.02 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.42 1.50 7.81 9 L 8.17 3.96 0.00 1.86 1.68 0.91 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 10 E 8.42 3.88 0.00 2.02 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.31 2.34 0.00 11 E 8.12 3.90 0.00 2.07 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 0.00 2.27 2.32 0.00 12 I 8.12 3.65 1.95 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.63 0.84 0.00 0.00 13 L 8.04 3.54 0.00 1.61 1.17 0.91 0.59 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 14 S 7.84 4.04 0.00 3.91 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 15 K 8.06 4.02 0.00 1.95 1.82 0.00 1.69 0.00 0.00 1.62 0.00 0.00 2.92 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.44 1.58 7.81 16 L 8.05 4.01 0.00 1.60 1.66 0.85 1.10 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 Y 7.96 4.37 0.00 3.14 2.84 0.00 0.00 0.00 0.00 0.00 0.00 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 H 8.45 4.18 0.00 3.31 3.54 0.00 5.79 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19 I 7.94 3.66 2.03 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 1.54 0.68 0.91 0.00 0.00 20 C 8.38 4.13 0.00 3.19 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 21 N 8.31 4.31 0.00 2.88 2.86 0.00 0.00 7.10 7.19 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 22 E 8.27 3.96 0.00 2.06 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.20 2.31 0.00 23 L 8.37 4.04 0.00 1.80 1.71 0.92 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 24 A 8.28 3.97 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 25 R 7.95 3.80 0.00 2.00 2.10 0.00 3.22 0.00 0.00 3.17 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.54 0.00 26 I 7.76 3.64 2.01 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 1.40 0.74 0.91 0.00 0.00 27 K 8.16 3.81 0.00 1.89 1.98 0.00 1.64 0.00 0.00 1.57 0.00 0.00 2.90 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.44 1.47 7.81 28 K 7.97 3.91 0.00 2.14 2.03 0.00 1.98 0.00 0.00 1.70 0.00 0.00 2.98 0.00 0.00 2.75 0.00 0.00 0.00 0.00 1.45 1.35 7.81 29 L 7.95 4.14 0.00 1.92 1.70 0.96 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 30 L 8.41 4.18 0.00 1.78 1.71 0.92 1.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 31 G 7.87 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 32 E 7.75 4.58 0.00 2.13 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 2.30 2.48 0.00 *33 R 7.51 4.13 0.00 1.83 1.71 0.00 3.30 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 1.58 1.45 0.00 * Residues marked with a * may have inaccurate shift predictions.