NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 K 4.2923 8.1727 119.9972 56.6989 34.1166 177.4563 2 I 3.5355 7.9079 121.2949 62.4045 38.2501 173.6198 3 S 3.9515 7.7929 115.4739 58.0939 63.3515 169.0311 4 S 3.6056 7.6322 122.3472 58.0478 59.5312 169.6144 5 P 4.7906 0.0000 0.0000 62.8341 31.2031 178.1477 6 T 4.1904 7.3512 111.0818 61.6639 67.8840 174.8488 7 E 4.2317 8.0952 135.0000 56.3573 27.8698 177.7426 *9 E 4.3260 7.7993 117.9687 56.1694 32.5660 179.1678 10 R 4.0069 7.7879 118.3913 59.0509 30.4551 178.1372 11 C 4.1513 8.1223 118.4893 62.3956 31.5797 175.6525 12 I 3.7204 7.6618 120.9875 64.5413 36.7783 178.1788 13 E 4.0557 7.9859 119.2368 59.1346 28.9922 179.4741 14 S 4.1823 7.8715 113.9111 61.4845 63.0304 176.3261 15 L 4.1679 7.6095 121.2104 57.3409 41.4965 179.0508 16 I 3.8323 7.6068 118.8546 64.1757 37.1491 176.5286 17 A 4.2966 8.2691 125.2695 52.3595 18.4366 176.9678 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 K 8.17 4.29 0.00 1.95 2.10 0.00 1.47 0.00 0.00 1.81 0.00 0.00 2.89 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.39 1.44 7.81 2 I 7.91 3.54 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 1.30 0.69 0.91 0.00 0.00 3 S 7.79 3.95 0.00 4.03 3.96 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 0.00 0.00 0.00 4 S 7.63 3.61 0.00 4.05 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5 P 0.00 4.79 0.00 2.22 2.11 0.00 3.81 0.00 0.00 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.95 0.00 6 T 7.35 4.19 4.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 7 E 8.10 4.23 0.00 2.05 1.95 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 2.40 2.29 0.00 *9 E 7.80 4.33 0.00 2.21 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.36 2.43 0.00 10 R 7.79 4.01 0.00 2.03 2.00 0.00 3.29 0.00 0.00 3.26 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.62 0.00 11 C 8.12 4.15 0.00 3.00 2.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 12 I 7.66 3.72 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 1.64 1.03 0.91 0.00 0.00 13 E 7.99 4.06 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 2.33 2.49 0.00 14 S 7.87 4.18 0.00 4.03 4.24 0.00 0.00 0.00 0.00 0.00 0.00 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 L 7.61 4.17 0.00 1.80 1.76 0.94 1.07 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 16 I 7.61 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 1.45 0.61 0.94 0.00 0.00 17 A 8.27 4.30 1.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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.