NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 H 4.7664 8.4444 117.8697 55.7559 30.1779 172.6340 2 E 4.3909 8.0006 120.0121 55.6859 32.7868 173.5920 3 R 4.3518 7.6552 114.8069 55.2753 31.9489 175.4697 4 S 4.6812 8.2742 113.5745 58.3828 64.8807 172.3160 5 Y 5.1769 8.6603 118.6517 56.5987 40.7302 174.6806 6 M 5.0030 9.1370 119.4926 53.5199 35.7044 173.5923 7 F 4.6680 8.8592 122.2633 57.9977 40.4835 174.2784 8 S 4.4495 8.2635 122.0099 57.1016 63.0509 174.7285 9 D 4.3937 8.6792 127.1069 56.6810 41.3242 177.6772 10 L 4.0455 7.8789 120.2947 57.7387 42.1742 177.3703 11 E 4.2037 7.7324 115.0279 55.7330 30.0574 175.4834 12 N 4.0658 7.9650 116.4566 53.6548 37.8563 173.1598 13 R 4.7476 6.6545 110.1143 54.8642 33.1828 173.3157 14 C 5.0757 8.7072 118.0568 59.7165 28.9673 173.2186 15 I 4.9141 9.0409 116.2110 58.8621 41.3114 174.2599 16 A 3.6194 8.1574 123.5589 51.0137 19.1944 177.3118 17 A 4.1977 8.2293 122.5234 51.6399 19.6363 176.9752 18 E 4.2609 8.5077 120.8174 55.4653 31.2642 177.6093 *20 K 4.1097 8.4648 122.4728 54.9171 32.4692 174.9149 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 H 8.44 4.77 0.00 3.12 3.42 0.00 5.81 0.00 0.00 0.00 0.00 8.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2 E 8.00 4.39 0.00 1.98 1.90 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 2.20 2.38 0.00 3 R 7.66 4.35 0.00 1.88 1.89 0.00 3.11 0.00 0.00 3.24 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.49 0.00 4 S 8.27 4.68 0.00 3.96 4.05 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 5 Y 8.66 5.18 0.00 2.81 2.94 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 6 M 9.14 5.00 0.00 2.02 2.16 0.00 0.00 0.00 0.00 0.00 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.47 2.45 0.00 7 F 8.86 4.67 0.00 3.06 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 8 S 8.26 4.45 0.00 3.76 3.59 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 0.00 0.00 0.00 0.00 9 D 8.68 4.39 0.00 2.71 2.75 0.00 0.00 0.00 0.00 0.00 0.00 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 L 7.88 4.05 0.00 1.54 1.62 0.90 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 11 E 7.73 4.20 0.00 1.90 1.90 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 2.23 2.15 0.00 12 N 7.97 4.07 0.00 2.88 2.89 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 13 R 6.65 4.75 0.00 1.90 1.98 0.00 2.99 0.00 0.00 3.34 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.59 0.00 14 C 8.71 5.08 0.00 3.00 3.09 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 0.00 0.00 0.00 0.00 15 I 9.04 4.91 1.81 0.00 0.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.09 1.23 0.87 0.00 0.00 16 A 8.16 3.62 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 A 8.23 4.20 1.19 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 0.00 0.00 0.00 0.00 0.00 0.00 18 E 8.51 4.26 0.00 1.92 1.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.19 2.19 0.00 *20 K 8.46 4.11 0.00 1.80 1.62 0.00 1.84 0.00 0.00 1.74 0.00 0.00 2.99 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.26 1.01 7.81 * Residues marked with a * may have inaccurate shift predictions.