NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- *2 M 4.4771 8.2629 118.7933 54.1698 33.7353 176.4947 *3 K 4.0012 8.4600 125.2549 59.8278 31.8297 178.2350 4 Q 4.2810 8.3667 122.9879 60.4436 28.4334 180.9148 5 I 3.9825 7.6269 120.3584 65.2530 35.8033 181.0823 6 E 4.1571 8.0178 121.1053 59.2990 29.4082 178.7568 7 D 4.4446 8.5998 121.6425 57.8654 40.8040 179.5446 8 K 4.0843 7.9638 124.0593 59.6245 31.6092 181.4440 9 L 4.2294 8.1021 119.7305 57.8223 41.4920 179.5031 10 E 3.9798 8.1007 118.5953 59.3051 29.4020 178.9991 11 E 3.9578 8.1875 119.3591 59.3000 29.7093 178.8635 12 I 3.7035 8.1450 120.3098 64.2989 37.1729 178.1378 13 L 3.8921 8.1973 121.3529 58.2414 41.9372 178.9666 14 S 4.3514 8.2306 113.1114 61.4001 62.2140 176.2448 15 K 4.0584 8.3153 121.2883 59.4045 31.7267 179.2535 16 L 3.9418 7.8799 119.3254 57.9411 41.5079 179.1161 17 Y 4.1473 7.9594 116.6728 61.2733 37.7327 178.0518 18 H 4.1754 8.4010 119.1105 59.5267 29.9097 177.3159 19 I 4.2415 7.9950 123.0469 64.0439 36.8259 178.4821 20 S 4.1114 8.5089 116.3991 61.7165 62.6868 176.5576 21 N 4.3243 8.2491 118.9891 56.4191 38.4448 177.1918 22 E 3.9297 8.2733 120.0432 59.5370 29.4977 179.5559 23 L 3.9988 8.2153 118.8389 57.4408 41.7109 179.0967 24 A 3.9931 8.2616 121.1802 55.4765 18.2383 180.0097 25 R 3.8689 7.9129 116.0826 59.4275 30.1927 179.2934 26 I 3.6927 7.8689 119.6183 64.2692 37.0997 178.3962 27 K 3.9442 8.3132 121.7587 60.2225 31.9749 180.0138 28 K 3.9781 7.8513 123.0855 59.9546 31.4044 180.9158 29 L 4.2515 8.1509 119.5892 57.2230 41.5678 178.7039 30 L 4.4486 7.7588 116.4236 53.8484 41.7605 177.1317 31 G 3.9391 7.7260 106.5402 46.3525 0.0000 174.0288 32 E 4.2014 8.1088 124.5505 56.2105 29.5661 176.1580 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 M 8.26 4.48 0.00 1.91 2.00 0.00 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.50 2.60 0.00 *3 K 8.46 4.00 0.00 1.84 1.84 0.00 1.76 0.00 0.00 1.84 0.00 0.00 2.96 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.44 1.13 7.81 4 Q 8.37 4.28 0.00 2.05 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.83 6.91 0.00 0.00 0.00 0.00 0.00 2.36 1.99 0.00 5 I 7.63 3.98 1.87 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 0.54 0.91 0.00 0.00 6 E 8.02 4.16 0.00 2.06 2.13 0.00 0.00 0.00 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 2.37 0.00 7 D 8.60 4.44 0.00 2.72 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 8 K 7.96 4.08 0.00 1.73 1.82 0.00 1.81 0.00 0.00 1.65 0.00 0.00 2.87 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.37 1.35 7.81 9 L 8.10 4.23 0.00 1.90 1.75 0.92 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 10 E 8.10 3.98 0.00 2.25 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 2.35 2.61 0.00 11 E 8.19 3.96 0.00 2.07 2.15 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 2.32 2.36 0.00 12 I 8.15 3.70 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 1.41 0.47 0.90 0.00 0.00 13 L 8.20 3.89 0.00 1.93 1.91 0.83 1.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 14 S 8.23 4.35 0.00 4.03 4.05 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 0.00 0.00 0.00 0.00 15 K 8.32 4.06 0.00 1.96 1.87 0.00 1.84 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 1.46 1.36 7.81 16 L 7.88 3.94 0.00 1.74 1.53 0.83 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 17 Y 7.96 4.15 0.00 3.23 2.93 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 0.00 0.00 0.00 18 H 8.40 4.18 0.00 3.24 3.52 0.00 5.59 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 8.00 4.24 1.99 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 1.64 1.68 0.89 0.00 0.00 20 S 8.51 4.11 0.00 4.01 3.95 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 0.00 0.00 0.00 0.00 21 N 8.25 4.32 0.00 2.91 2.86 0.00 0.00 7.03 7.38 0.00 0.00 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 3.93 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 2.24 2.24 0.00 23 L 8.22 4.00 0.00 1.82 1.70 0.91 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 24 A 8.26 3.99 1.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 7.91 3.87 0.00 2.00 1.98 0.00 3.13 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 1.65 1.85 0.00 26 I 7.87 3.69 1.86 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 1.52 0.92 0.91 0.00 0.00 27 K 8.31 3.94 0.00 2.03 1.87 0.00 1.67 0.00 0.00 1.77 0.00 0.00 2.98 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.46 1.52 7.81 28 K 7.85 3.98 0.00 1.78 1.82 0.00 1.82 0.00 0.00 1.65 0.00 0.00 2.89 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.38 1.36 7.81 29 L 8.15 4.25 0.00 1.75 1.77 0.92 0.89 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 30 L 7.76 4.45 0.00 1.76 1.69 0.97 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 0.00 0.00 0.00 0.00 0.00 0.00 31 G 7.73 3.94 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 0.00 0.00 0.00 0.00 0.00 0.00 32 E 8.11 4.20 0.00 1.98 1.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.29 2.42 0.00 * Residues marked with a * may have inaccurate shift predictions.