NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 G 3.9966 8.2127 109.7439 45.5149 0.0000 173.5217 2 I 2.8992 8.1395 117.7886 63.0940 37.6071 173.7867 3 V 3.4660 8.3540 119.8583 66.0341 31.6782 177.1360 4 E 3.9429 8.0219 116.2144 59.7531 29.4744 179.0624 5 Q 4.1824 8.2876 116.8777 58.4574 28.9040 177.0755 6 C 4.7786 8.5466 115.9113 57.3990 41.5727 174.0965 7 C 4.2922 7.8548 119.1059 59.4940 30.9695 172.7044 *9 S 4.2924 7.6764 114.0132 58.3589 63.5778 172.4467 10 I 4.4908 8.0019 113.6702 59.5719 39.2163 175.5594 11 C 5.1524 8.3831 119.3288 54.9531 43.7861 174.7691 12 S 4.4135 8.4916 118.8305 57.5099 64.0134 174.7420 13 L 3.9265 8.2780 126.0248 58.5778 41.5303 178.4745 14 Y 4.3681 7.7127 114.7871 61.5731 38.1929 178.4909 15 Q 4.1635 8.1616 118.2937 58.7718 29.0771 178.1929 16 L 4.3140 8.1601 121.4581 57.7881 42.1957 178.1017 17 E 4.2082 8.6903 118.8934 58.0644 29.3732 177.9761 18 N 4.3634 7.7875 115.2213 55.7605 38.4939 175.0021 19 Y 4.6733 7.3059 116.0924 57.8274 38.3052 175.5238 20 C 4.5736 7.5999 118.1063 59.0446 29.3188 173.5247 21 N 4.6111 8.4738 117.5548 53.1363 37.0327 174.3569 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 G 8.21 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 I 8.14 2.90 0.78 0.00 0.00 0.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.44 0.67 0.00 0.00 3 V 8.35 3.47 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 1.07 0.00 0.00 0.87 0.00 0.00 4 E 8.02 3.94 0.00 1.98 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 2.31 2.36 0.00 5 Q 8.29 4.18 0.00 2.11 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.80 0.00 0.00 0.00 0.00 0.00 2.77 2.72 0.00 6 C 8.55 4.78 0.00 2.94 3.10 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 0.00 0.00 0.00 7 C 7.85 4.29 0.00 2.88 3.04 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 0.00 0.00 0.00 *9 S 7.68 4.29 0.00 4.12 3.88 0.00 0.00 0.00 0.00 0.00 0.00 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 I 8.00 4.49 1.88 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 1.43 0.63 0.92 0.00 0.00 11 C 8.38 5.15 0.00 2.99 3.08 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 12 S 8.49 4.41 0.00 3.88 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 13 L 8.28 3.93 0.00 1.70 1.45 0.90 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 14 Y 7.71 4.37 0.00 2.97 2.88 0.00 0.00 0.00 0.00 0.00 0.00 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 Q 8.16 4.16 0.00 2.33 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.92 0.00 0.00 0.00 0.00 0.00 2.52 2.51 0.00 16 L 8.16 4.31 0.00 2.00 1.82 0.96 0.73 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 17 E 8.69 4.21 0.00 2.32 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 2.34 2.39 0.00 18 N 7.79 4.36 0.00 2.20 2.34 0.00 0.00 6.87 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19 Y 7.31 4.67 0.00 3.18 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 20 C 7.60 4.57 0.00 3.09 2.88 0.00 0.00 0.00 0.00 0.00 0.00 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 8.47 4.61 0.00 2.79 2.76 0.00 0.00 5.90 7.56 0.00 0.00 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.