NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- *1 F 4.6300 8.3249 119.0069 56.4103 39.7437 173.8868 2 V 4.2609 8.1494 118.7806 57.5937 33.7727 173.9684 3 N 4.5538 9.3765 124.0125 53.4240 40.5505 173.3217 4 Q 4.6548 8.0409 120.5957 53.8944 31.4571 175.1123 5 H 4.2629 8.6635 116.4178 55.8321 29.1163 175.3033 6 L 4.6673 8.4763 123.8461 53.2278 43.3834 175.5385 7 C 4.9284 8.3975 121.3349 58.7609 32.1858 174.0842 8 G 3.8250 8.3374 112.3833 46.8374 0.0000 178.0535 9 S 4.0668 8.5913 121.5819 60.5691 63.4774 175.8653 10 H 4.2035 8.0380 119.1952 58.5169 28.2714 177.3844 11 L 3.8916 7.5984 122.3509 58.2438 41.9004 179.4384 12 V 3.3672 7.3936 111.6987 63.8102 31.6339 178.1851 13 E 3.9412 8.1053 118.4764 59.3744 29.1888 179.2393 14 A 3.9460 7.7681 120.1884 55.0863 18.4715 179.7403 15 L 3.6113 7.6144 117.4946 58.0727 41.4624 178.5063 16 Y 4.1452 8.0191 119.6890 60.6034 38.4121 177.9022 17 L 3.6451 7.9240 121.1299 58.4962 42.4387 179.4694 18 V 3.6857 7.3473 115.9862 64.9728 31.8290 176.6264 19 C 4.5971 7.9006 115.0935 57.8785 29.7842 177.3805 20 G 3.6608 9.1400 108.1659 46.2554 0.0000 176.3865 21 E 3.9103 9.2731 123.2999 59.0581 29.2542 177.7848 22 R 3.8215 7.0771 116.6447 57.8231 30.4956 178.0190 23 G 3.9638 6.6034 104.5545 44.5982 0.0000 171.7674 24 F 4.8029 7.5480 113.7129 56.2658 39.9018 172.7833 25 F 5.0354 8.4372 115.7112 55.0069 39.9741 173.9592 26 Y 4.8904 8.9619 124.3884 56.1511 40.4723 175.1110 27 T 4.2564 8.0614 117.6714 58.4486 69.4421 172.1832 28 P 4.0563 0.0000 0.0000 65.5884 31.2033 178.0733 29 K 4.1274 7.7922 116.7999 59.1039 33.3068 176.7922 30 T 4.0186 7.2806 119.6983 63.8224 68.2600 173.6871 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 8.32 4.63 0.00 2.32 2.16 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 2 V 8.15 4.26 2.08 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 0.83 0.00 0.00 0.99 0.00 0.00 3 N 9.38 4.55 0.00 2.67 2.69 0.00 0.00 7.00 7.08 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 4 Q 8.04 4.65 0.00 2.03 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.32 6.70 0.00 0.00 0.00 0.00 0.00 2.27 2.43 0.00 5 H 8.66 4.26 0.00 3.11 3.25 0.00 5.64 0.00 0.00 0.00 0.00 6.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6 L 8.48 4.67 0.00 1.58 1.57 0.89 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 7 C 8.40 4.93 0.00 2.98 2.82 0.00 0.00 0.00 0.00 0.00 0.00 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 8.34 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 8.59 4.07 0.00 3.90 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 10 H 8.04 4.20 0.00 3.37 3.36 0.00 5.62 0.00 0.00 0.00 0.00 6.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 11 L 7.60 3.89 0.00 1.77 1.77 0.88 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.00 0.00 0.00 0.00 0.00 0.00 12 V 7.39 3.37 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.17 0.00 0.00 0.80 0.00 0.00 13 E 8.11 3.94 0.00 2.11 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.28 2.48 0.00 14 A 7.77 3.95 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 7.61 3.61 0.00 0.56 0.59 0.59 0.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.00 0.00 0.00 0.00 0.00 0.00 16 Y 8.02 4.15 0.00 3.19 3.13 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 17 L 7.92 3.65 0.00 1.83 1.84 0.94 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 18 V 7.35 3.69 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 0.82 0.00 0.00 0.88 0.00 0.00 19 C 7.90 4.60 0.00 3.11 2.91 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 0.00 0.00 0.00 20 G 9.14 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 9.27 3.91 0.00 1.96 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 2.31 2.31 0.00 22 R 7.08 3.82 0.00 1.91 1.96 0.00 3.15 0.00 0.00 3.36 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.59 0.00 23 G 6.60 3.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 7.55 4.80 0.00 2.93 2.98 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 0.00 0.00 0.00 25 F 8.44 5.04 0.00 3.24 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 26 Y 8.96 4.89 0.00 3.18 3.13 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 27 T 8.06 4.26 4.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.00 0.00 28 P 0.00 4.06 0.00 2.12 2.18 0.00 3.33 0.00 0.00 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 1.89 0.00 29 K 7.79 4.13 0.00 1.86 1.95 0.00 1.56 0.00 0.00 1.67 0.00 0.00 2.97 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.35 1.43 7.81 30 T 7.28 4.02 4.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.