NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 M 4.3972 8.2629 120.3488 55.6133 34.0772 177.4577 3 K 4.2930 7.8400 118.0838 54.7384 31.8009 178.8343 *5 I 4.2964 8.0757 121.3759 62.4430 39.6691 179.4414 6 E 4.0190 8.0852 119.7127 56.2213 28.6505 178.4172 *8 K 4.3505 7.9955 116.3065 56.0405 34.0734 178.5886 9 L 3.9417 7.8033 117.8896 55.8195 42.5557 178.5990 *11 E 4.4409 8.3377 120.0493 56.6648 31.2793 177.3741 12 I 4.2030 8.2353 119.3621 61.7533 37.0814 177.4687 *14 S 4.5545 7.8609 115.0164 58.5380 64.1623 177.4342 15 K 4.3177 8.1223 121.1707 56.2855 30.9546 178.3945 *17 Y 4.5685 7.8046 119.7683 58.2035 40.4779 176.8253 18 H 4.0225 8.9449 116.3176 56.7942 29.4731 176.0369 *20 E 4.3421 8.2657 119.4728 55.6205 31.0473 176.8124 21 N 4.7598 7.5117 114.2328 53.3023 39.2817 176.4108 *23 L 4.3119 8.0872 118.9645 55.0215 43.4292 179.8235 24 A 4.3401 7.3602 118.6181 52.7107 17.6548 178.9576 *26 I 4.1085 7.8268 122.5510 63.4913 39.0717 178.8227 27 K 3.6906 8.1410 121.1808 55.9349 32.1821 179.7584 *29 L 4.3948 7.8507 120.0558 54.8889 43.5497 177.0232 30 L 4.3275 7.5399 122.8816 54.7089 41.9037 176.0583 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 2 M 8.26 4.40 0.00 2.11 2.12 0.00 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.56 2.60 0.00 3 K 7.84 4.29 0.00 1.90 1.67 0.00 1.89 0.00 0.00 1.71 0.00 0.00 2.88 0.00 0.00 2.72 0.00 0.00 0.00 0.00 1.36 1.09 7.81 *5 I 8.08 4.30 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 0.43 0.91 0.00 0.00 6 E 8.09 4.02 0.00 2.35 1.94 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 2.32 2.15 0.00 *8 K 8.00 4.35 0.00 1.98 1.85 0.00 1.77 0.00 0.00 1.82 0.00 0.00 2.89 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.43 1.42 7.81 9 L 7.80 3.94 0.00 1.82 1.73 0.92 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.00 0.00 0.00 0.00 0.00 0.00 *11 E 8.34 4.44 0.00 2.18 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 2.30 2.34 0.00 12 I 8.24 4.20 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 1.19 0.58 0.92 0.00 0.00 *14 S 7.86 4.55 0.00 3.90 4.13 0.00 0.00 0.00 0.00 0.00 0.00 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 4.32 0.00 1.82 1.86 0.00 1.82 0.00 0.00 1.64 0.00 0.00 2.90 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.71 1.54 7.81 *17 Y 7.80 4.57 0.00 3.09 3.16 0.00 0.00 0.00 0.00 0.00 0.00 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 8.94 4.02 0.00 3.20 3.35 0.00 6.03 0.00 0.00 0.00 0.00 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *20 E 8.27 4.34 0.00 1.98 1.91 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 2.26 2.31 0.00 21 N 7.51 4.76 0.00 2.28 2.47 0.00 0.00 6.30 7.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *23 L 8.09 4.31 0.00 1.67 1.71 0.89 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 0.00 0.00 0.00 0.00 0.00 0.00 24 A 7.36 4.34 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 *26 I 7.83 4.11 1.85 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.62 0.90 0.00 0.00 27 K 8.14 3.69 0.00 1.76 1.73 0.00 1.84 0.00 0.00 1.70 0.00 0.00 2.88 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.41 1.33 7.81 *29 L 7.85 4.39 0.00 1.64 1.79 0.91 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 30 L 7.54 4.33 0.00 1.70 1.52 0.91 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.