NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- *1 F 4.6531 8.1676 119.0113 56.9004 40.7853 176.9189 2 V 3.5008 7.7389 121.7030 62.7924 31.2983 176.1262 3 N 4.2693 9.0314 119.5866 55.8030 37.3504 178.1018 4 Q 4.0868 8.0776 119.7541 58.0195 28.7198 178.0094 5 H 4.1722 8.1256 119.7971 59.2843 30.1462 177.2617 6 L 3.9862 8.4970 121.1383 57.9725 41.4165 179.1448 7 C 4.3452 8.3881 118.8127 62.4011 31.4787 175.7434 8 G 3.6782 8.1628 107.4426 47.7384 0.0000 175.4478 9 S 3.9469 7.6991 115.4189 61.6837 62.4520 176.1717 10 H 4.2311 7.7578 117.6782 58.6490 28.4314 177.7701 11 L 3.9686 8.0791 120.9252 58.0641 41.5186 180.1291 12 V 3.4481 7.7548 112.1716 64.1842 31.4557 178.5520 13 E 4.0574 7.8148 116.9862 59.1052 29.2022 179.1838 14 A 4.0154 7.8617 120.5919 55.0052 18.3989 179.6651 15 L 3.6942 7.7086 117.5690 57.7731 41.2411 179.0868 16 Y 4.3053 7.7842 119.4684 60.6209 38.5631 177.9907 17 L 3.7845 7.5050 119.2862 58.1249 42.3544 178.7540 18 V 3.6740 7.7909 117.1281 66.2647 31.7927 177.4511 19 C 4.3255 8.6779 116.4697 59.8208 28.6121 175.5801 20 G 3.5972 8.2565 110.7154 46.6919 0.0000 177.7053 21 E 4.1217 8.8574 119.9858 58.1808 29.6459 177.5249 22 R 4.0036 8.0528 116.0485 57.7776 30.3051 177.5047 23 G 3.8896 9.1225 104.1163 45.4464 0.0000 171.7451 24 F 4.8171 7.3115 110.5356 56.4971 39.6660 172.8911 25 F 4.4636 9.2894 120.3196 55.7494 40.8235 174.4652 26 Y 4.7796 8.8282 126.8501 56.0084 39.7385 175.1955 27 T 4.3351 7.8458 117.5803 58.8055 70.0114 171.5735 28 P 3.9704 0.0000 0.0000 64.9805 31.1673 177.0559 29 K 4.1438 7.7159 122.8428 55.2864 32.1184 176.6521 *30 T 4.1354 8.1562 116.9267 61.3288 69.0835 172.3922 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 F 8.17 4.65 0.00 2.22 2.36 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 2 V 7.74 3.50 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 0.80 0.00 0.00 0.96 0.00 0.00 3 N 9.03 4.27 0.00 3.03 3.15 0.00 0.00 6.14 7.52 0.00 0.00 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 Q 8.08 4.09 0.00 2.21 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.21 6.96 0.00 0.00 0.00 0.00 0.00 2.48 2.50 0.00 5 H 8.13 4.17 0.00 3.44 3.49 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 6 L 8.50 3.99 0.00 1.70 1.74 0.95 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 0.00 0.00 0.00 0.00 0.00 0.00 7 C 8.39 4.35 0.00 3.02 3.05 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 8 G 8.16 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 9 S 7.70 3.95 0.00 3.73 3.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 10 H 7.76 4.23 0.00 3.29 3.35 0.00 5.68 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 11 L 8.08 3.97 0.00 1.77 1.72 1.05 0.81 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 12 V 7.75 3.45 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 0.12 0.00 0.00 0.84 0.00 0.00 13 E 7.81 4.06 0.00 2.19 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 2.37 2.41 0.00 14 A 7.86 4.02 1.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 7.71 3.69 0.00 0.90 0.40 0.75 0.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 16 Y 7.78 4.31 0.00 3.31 3.24 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 17 L 7.50 3.78 0.00 1.70 1.79 0.89 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.00 0.00 0.00 0.00 0.00 0.00 18 V 7.79 3.67 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.86 0.00 0.00 0.95 0.00 0.00 19 C 8.68 4.33 0.00 3.21 3.24 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 20 G 8.26 3.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 E 8.86 4.12 0.00 2.00 1.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.23 1.91 0.00 22 R 8.05 4.00 0.00 1.85 2.08 0.00 3.45 0.00 0.00 3.26 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.64 0.00 23 G 9.12 3.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 24 F 7.31 4.82 0.00 3.19 3.06 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 0.00 0.00 0.00 25 F 9.29 4.46 0.00 3.11 3.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 26 Y 8.83 4.78 0.00 3.21 3.06 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 0.00 0.00 0.00 27 T 7.85 4.34 4.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.00 0.00 28 P 0.00 3.97 0.00 2.16 2.11 0.00 3.59 0.00 0.00 3.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 2.01 0.00 29 K 7.72 4.14 0.00 1.84 1.86 0.00 1.60 0.00 0.00 1.74 0.00 0.00 3.02 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.30 1.37 7.81 *30 T 8.16 4.14 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 * Residues marked with a * may have inaccurate shift predictions.