NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 R 4.3495 8.1133 119.7067 56.2194 32.6821 177.4463 2 M 3.8659 8.1284 118.2059 57.4626 31.8669 176.7149 3 K 3.9204 8.1881 119.5111 59.5514 32.9105 178.1261 4 Q 4.0488 8.0331 119.3896 59.0058 28.9585 178.2244 5 I 3.6652 7.6465 120.4925 64.4313 37.2237 177.8834 6 E 3.9394 8.4510 120.4067 59.4515 29.3156 178.6900 7 D 4.3486 8.5712 119.3360 57.3473 40.8886 178.8905 8 K 4.0421 7.9474 118.8646 59.3473 31.9134 179.4294 9 L 4.0060 8.1358 119.4401 57.6690 41.4893 179.3454 10 E 3.9642 8.1909 118.5503 59.4575 29.5164 178.9471 11 E 3.9466 7.9781 118.7856 59.4575 29.6745 178.9410 12 I 3.7278 7.9664 119.7932 64.3856 37.1517 178.3195 13 L 3.9758 8.2220 120.0775 57.9424 41.4535 179.6010 14 S 4.3454 8.2669 113.0846 61.3143 62.2381 176.3035 15 K 4.0582 8.1189 121.2319 59.4566 31.6775 179.2450 16 L 3.9365 7.8114 118.8352 58.0176 41.4814 179.1920 17 Y 4.0731 7.9537 116.7427 61.2446 37.7642 178.0502 18 H 4.2207 8.5554 119.2847 59.1515 29.9193 177.2669 19 I 3.7693 8.0251 121.8685 64.6770 37.1001 178.1278 20 E 3.9585 8.4171 119.3559 59.5653 29.2006 179.3522 21 N 4.3765 8.2430 116.5493 56.2544 38.5927 177.2825 22 E 3.9237 8.1910 120.0720 59.4687 29.4904 179.3480 23 L 3.9737 8.1303 118.8057 57.7133 41.5974 179.5791 24 A 3.9748 7.8684 120.5084 55.1136 18.3445 179.8727 25 R 3.8423 7.9732 116.5914 59.4184 30.1639 179.1846 26 I 3.6819 7.8174 119.4972 64.4349 37.2769 178.5715 27 K 3.9278 8.2478 119.2232 59.5230 31.9131 179.4202 28 K 3.9386 7.9996 118.6424 59.6625 31.7437 179.2966 29 L 4.0669 7.8130 118.0804 57.3515 41.5652 178.5690 30 L 4.4686 7.6218 116.4133 53.9378 41.7839 177.5381 31 G 3.9399 7.8111 106.6677 46.1369 0.0000 175.2639 32 E 3.8602 8.1819 121.7996 59.7259 29.7232 177.9423 *33 R 4.1415 7.7971 119.6425 56.4025 30.1652 177.0801 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 4.35 0.00 1.86 2.05 0.00 3.26 0.00 0.00 3.34 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.61 0.00 2 M 8.13 3.87 0.00 2.11 2.11 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 2.60 0.00 3 K 8.19 3.92 0.00 1.79 1.80 0.00 1.74 0.00 0.00 1.89 0.00 0.00 3.04 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.51 1.44 7.81 4 Q 8.03 4.05 0.00 2.12 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.69 0.00 0.00 0.00 0.00 0.00 2.43 2.40 0.00 5 I 7.65 3.67 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 1.41 0.62 0.91 0.00 0.00 6 E 8.45 3.94 0.00 2.13 2.10 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 8.57 4.35 0.00 2.96 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 7.95 4.04 0.00 1.96 1.86 0.00 1.69 0.00 0.00 1.65 0.00 0.00 2.94 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.64 1.63 7.81 9 L 8.14 4.01 0.00 1.88 1.72 0.92 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 0.00 0.00 0.00 0.00 0.00 0.00 10 E 8.19 3.96 0.00 2.20 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 2.54 2.48 0.00 11 E 7.98 3.95 0.00 2.03 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 2.32 2.37 0.00 12 I 7.97 3.73 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 1.52 1.01 0.90 0.00 0.00 13 L 8.22 3.98 0.00 2.02 1.85 1.02 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 14 S 8.27 4.35 0.00 3.98 4.08 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 0.00 0.00 0.00 15 K 8.12 4.06 0.00 2.00 1.87 0.00 1.73 0.00 0.00 1.66 0.00 0.00 2.94 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.49 1.69 7.81 16 L 7.81 3.94 0.00 1.68 1.54 0.83 1.10 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 7.95 4.07 0.00 3.25 3.02 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 0.00 0.00 0.00 18 H 8.56 4.22 0.00 3.32 3.54 0.00 5.79 0.00 0.00 0.00 0.00 6.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19 I 8.03 3.77 1.98 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 0.50 0.89 0.00 0.00 20 E 8.42 3.96 0.00 2.21 2.04 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 2.48 2.42 0.00 21 N 8.24 4.38 0.00 2.92 2.87 0.00 0.00 6.95 7.81 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 8.19 3.92 0.00 2.09 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 2.26 2.31 0.00 23 L 8.13 3.97 0.00 1.83 1.71 0.96 0.66 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 7.87 3.97 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 7.97 3.84 0.00 2.02 1.99 0.00 3.15 0.00 0.00 3.30 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.67 0.00 26 I 7.82 3.68 1.98 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 0.77 0.91 0.00 0.00 27 K 8.25 3.93 0.00 1.93 1.86 0.00 1.68 0.00 0.00 1.64 0.00 0.00 3.12 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.46 1.79 7.81 28 K 8.00 3.94 0.00 1.96 1.87 0.00 1.67 0.00 0.00 1.65 0.00 0.00 2.95 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.46 1.68 7.81 29 L 7.81 4.07 0.00 1.81 1.74 0.92 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 30 L 7.62 4.47 0.00 1.79 1.69 0.92 0.95 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 31 G 7.81 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 8.18 3.86 0.00 2.01 2.01 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 2.34 2.25 0.00 *33 R 7.80 4.14 0.00 1.57 1.74 0.00 3.23 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 1.45 1.69 0.00 * Residues marked with a * may have inaccurate shift predictions.