NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- *1 R 4.3837 8.1133 119.0729 56.1763 31.7498 175.7574 2 M 3.9534 8.3873 119.3798 57.5835 31.9006 176.6975 3 K 4.1599 8.1638 120.9044 58.9264 32.7093 178.2056 4 Q 3.9352 7.9855 119.4146 59.0678 29.0910 177.8755 5 I 3.6796 7.4545 120.9252 64.6471 37.3282 178.2766 6 E 3.9889 8.4499 119.4973 59.5754 29.2376 179.2587 7 D 4.4699 8.4949 119.3568 57.1201 40.7547 178.7446 8 K 3.9727 8.3860 120.5595 59.3710 32.0990 178.9899 9 L 3.9751 8.1159 119.5060 57.6327 41.4678 179.0611 10 E 3.9223 8.4313 119.5610 58.9258 29.4879 178.3414 11 E 3.9045 8.3473 119.6128 59.4385 29.6460 178.9775 12 I 3.6859 8.0463 120.0018 64.1439 37.1032 178.1186 13 L 3.8612 8.1413 120.2677 58.3074 41.6439 180.0265 14 S 4.1948 8.3439 117.1754 61.9857 62.7683 177.5851 15 K 4.2036 8.4068 126.8762 59.5231 31.3534 182.0591 16 G 3.8343 8.4855 106.8503 48.1206 0.0000 175.4807 17 H 4.2634 8.2309 118.6608 58.9046 28.6349 177.3579 18 H 4.1682 8.1373 119.6561 59.4360 29.7666 177.2774 19 I 3.6269 8.3362 121.8934 64.7073 36.8181 178.2524 20 C 4.2357 8.4551 120.1296 63.4052 27.9087 176.5034 21 N 4.3626 8.2805 120.9875 57.5675 37.1593 179.1020 22 E 4.1270 8.3270 121.2265 59.2792 29.4405 179.5417 23 L 4.0035 8.1578 118.8603 57.4117 41.6597 179.2993 24 A 3.9559 8.3403 121.3562 55.0868 18.3411 179.6161 25 R 3.8213 8.1321 117.2178 59.6960 30.1760 178.8158 26 I 3.7067 7.8872 119.6211 64.0703 36.8424 178.2104 27 K 3.8592 8.0123 119.6362 59.4910 32.1281 178.2226 28 K 4.0253 7.7872 118.2508 59.6583 32.1473 178.2413 29 L 4.1297 7.7497 117.9473 57.7074 41.6247 177.7572 30 L 4.2973 7.9164 122.2674 55.0080 41.7170 176.7878 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 4.38 0.00 1.71 1.86 0.00 3.16 0.00 0.00 3.33 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.72 0.00 2 M 8.39 3.95 0.00 2.25 2.14 0.00 0.00 0.00 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.69 2.60 0.00 3 K 8.16 4.16 0.00 1.82 1.80 0.00 1.76 0.00 0.00 1.70 0.00 0.00 2.90 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.61 1.36 7.81 4 Q 7.99 3.94 0.00 2.16 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.66 0.00 0.00 0.00 0.00 0.00 2.42 2.45 0.00 5 I 7.45 3.68 2.00 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 0.55 0.91 0.00 0.00 6 E 8.45 3.99 0.00 2.12 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.33 2.46 0.00 7 D 8.49 4.47 0.00 2.72 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 8.39 3.97 0.00 1.90 1.98 0.00 1.52 0.00 0.00 1.73 0.00 0.00 3.02 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.43 1.52 7.81 9 L 8.12 3.98 0.00 1.90 1.69 0.92 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 10 E 8.43 3.92 0.00 2.07 2.06 0.00 0.00 0.00 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 2.35 0.00 11 E 8.35 3.90 0.00 2.17 2.09 0.00 0.00 0.00 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 2.35 0.00 12 I 8.05 3.69 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 1.51 0.60 0.90 0.00 0.00 13 L 8.14 3.86 0.00 1.74 1.66 0.95 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 14 S 8.34 4.19 0.00 3.91 3.91 0.00 0.00 0.00 0.00 0.00 0.00 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 8.41 4.20 0.00 1.76 1.82 0.00 1.81 0.00 0.00 1.65 0.00 0.00 2.88 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.37 1.32 7.81 16 G 8.49 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 17 H 8.23 4.26 0.00 3.36 3.37 0.00 5.65 0.00 0.00 0.00 0.00 6.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 18 H 8.14 4.17 0.00 3.30 3.53 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 8.34 3.63 2.01 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 1.53 0.75 0.90 0.00 0.00 20 C 8.46 4.24 0.00 3.17 2.98 0.00 0.00 0.00 0.00 0.00 0.00 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 8.28 4.36 0.00 2.74 2.83 0.00 0.00 7.06 7.09 0.00 0.00 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 8.33 4.13 0.00 2.03 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.25 2.30 0.00 23 L 8.16 4.00 0.00 1.82 1.70 0.92 0.63 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 24 A 8.34 3.96 1.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 8.13 3.82 0.00 1.95 2.10 0.00 3.10 0.00 0.00 3.16 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.67 0.00 26 I 7.89 3.71 2.00 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 1.40 0.59 0.91 0.00 0.00 27 K 8.01 3.86 0.00 1.80 2.01 0.00 1.81 0.00 0.00 1.63 0.00 0.00 2.97 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.45 1.45 7.81 28 K 7.79 4.03 0.00 1.80 1.97 0.00 1.86 0.00 0.00 1.70 0.00 0.00 3.03 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.45 1.49 7.81 29 L 7.75 4.13 0.00 1.78 1.72 0.92 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 0.00 0.00 0.00 0.00 0.00 0.00 30 L 7.92 4.30 0.00 1.62 1.58 0.92 0.73 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 * Residues marked with a * may have inaccurate shift predictions.