NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 M 4.4059 8.2629 120.3489 55.4675 34.1209 176.7086 3 K 4.3185 7.7431 118.7675 54.7067 32.4791 178.7652 *5 I 4.3024 8.1004 121.9582 62.2622 39.7920 179.5448 6 E 3.9620 7.9849 119.3175 56.1878 29.0242 177.9761 *8 K 4.4241 8.2466 118.0093 56.2096 33.9422 178.7497 9 L 4.3886 7.5972 116.8341 55.1088 41.2347 178.1892 *11 E 4.4573 8.3571 119.9220 56.7098 31.2826 177.9650 12 I 4.0901 7.5456 118.5065 61.7395 37.2850 177.4816 *14 S 4.6123 8.2642 115.5190 58.5528 63.8254 176.7034 15 K 4.4759 7.7776 118.2673 56.8251 31.4354 178.2124 *17 Y 4.4864 7.9399 119.7419 58.2375 40.3061 176.9459 18 H 4.4907 8.5084 114.8084 56.4459 28.9001 176.6971 *20 E 4.3568 8.3411 120.8165 56.5746 31.0198 177.1924 21 N 4.6038 7.5456 114.0268 53.7157 39.2159 176.6191 *23 L 4.3286 8.1223 119.1048 54.9889 43.5233 179.0583 24 A 4.3928 7.5306 118.9580 52.7955 18.6338 178.7383 *26 I 4.2262 7.9567 121.2867 63.0476 38.8878 180.1166 27 K 4.2556 8.0697 119.7405 56.3432 31.1289 177.6599 *29 L 4.3609 8.0030 118.7953 53.7610 43.6050 177.0690 30 L 4.2602 7.7117 121.5788 54.7933 41.6626 176.2120 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 4.41 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 7.74 4.32 0.00 1.90 1.66 0.00 1.89 0.00 0.00 1.71 0.00 0.00 2.88 0.00 0.00 2.73 0.00 0.00 0.00 0.00 1.34 1.09 7.81 *5 I 8.10 4.30 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 1.30 0.52 0.91 0.00 0.00 6 E 7.98 3.96 0.00 1.91 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 2.33 0.00 *8 K 8.25 4.42 0.00 2.01 1.88 0.00 1.74 0.00 0.00 1.82 0.00 0.00 2.94 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.43 1.42 7.81 9 L 7.60 4.39 0.00 1.85 1.69 0.92 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 0.00 0.00 0.00 0.00 *11 E 8.36 4.46 0.00 2.27 2.05 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 2.31 2.35 0.00 12 I 7.55 4.09 2.06 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 0.59 0.92 0.00 0.00 *14 S 8.26 4.61 0.00 3.92 4.10 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 15 K 7.78 4.48 0.00 1.96 1.85 0.00 1.83 0.00 0.00 1.67 0.00 0.00 2.92 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.72 1.54 7.81 *17 Y 7.94 4.49 0.00 3.05 3.07 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 0.00 0.00 0.00 0.00 18 H 8.51 4.49 0.00 3.24 3.34 0.00 5.74 0.00 0.00 0.00 0.00 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *20 E 8.34 4.36 0.00 1.90 1.92 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 2.25 2.30 0.00 21 N 7.55 4.60 0.00 2.33 2.56 0.00 0.00 6.28 6.59 0.00 0.00 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 8.12 4.33 0.00 1.83 1.72 0.90 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 24 A 7.53 4.39 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 7.96 4.23 2.01 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 1.29 1.12 0.90 0.00 0.00 27 K 8.07 4.26 0.00 1.80 1.95 0.00 1.81 0.00 0.00 1.69 0.00 0.00 2.93 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.44 1.40 7.81 *29 L 8.00 4.36 0.00 1.85 1.75 0.92 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 0.00 0.00 0.00 0.00 0.00 0.00 30 L 7.71 4.26 0.00 1.79 1.56 0.91 0.63 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.