NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 F 4.7699 8.4245 115.9085 56.6243 39.2623 174.2422 2 V 3.5900 8.1331 118.2230 58.8446 32.3519 173.4017 3 N 4.0458 8.6400 125.0265 51.1760 39.3992 174.9416 4 Q 3.9918 8.2940 127.3174 58.4984 28.5549 177.8420 5 H 4.2446 8.3019 119.3372 59.2667 30.1811 177.1530 6 L 3.9627 8.4267 120.9821 57.7965 41.5353 178.9680 7 C 4.3408 8.4879 119.2021 62.3191 31.4303 175.7705 8 G 3.6755 8.3499 107.5795 47.6914 0.0000 175.3217 9 S 3.9632 7.6074 114.8984 61.6709 62.4383 176.2020 10 H 4.1063 7.7175 117.1638 58.8264 28.4678 177.7742 11 L 3.9714 7.8053 120.6119 57.9353 41.3556 180.0947 12 V 3.4525 7.7318 112.2914 64.4013 31.3160 178.5359 13 E 3.9710 7.8847 117.7438 59.1870 29.2012 179.3465 14 A 4.0016 7.8141 120.7930 55.1107 18.4161 179.7136 15 L 3.6560 8.1900 117.9096 57.7072 41.4458 178.9981 16 Y 4.1827 8.0715 119.9391 60.6853 38.4795 178.3767 17 L 3.7154 7.4792 118.7704 57.7778 41.8702 179.4117 18 V 3.6951 7.5364 116.7354 66.1952 31.9417 177.6095 19 C 4.2890 8.4621 116.8893 60.6165 28.5508 175.0035 20 G 3.6022 8.4444 109.5843 46.0700 0.0000 176.1314 21 E 3.9950 9.0331 121.3748 59.4286 29.3727 178.5872 22 R 3.9029 7.8530 116.4388 56.9148 30.2759 177.9777 23 G 4.0043 8.4290 107.0042 45.1437 0.0000 171.9061 24 F 4.9859 7.7417 111.5720 56.2634 40.0942 172.9577 25 F 4.5926 9.0923 119.8303 55.7006 40.8499 174.7145 26 Y 4.7416 8.7352 125.7783 55.9223 40.4144 174.7259 27 T 4.4269 7.8661 117.7505 59.0538 70.1080 173.1721 28 P 4.3686 0.0000 0.0000 62.4719 32.3371 177.4608 29 K 4.0359 8.1783 129.2795 56.6837 36.3333 177.6765 *30 T 4.2170 8.9980 111.5981 61.9337 69.1236 175.8000 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 8.42 4.77 0.00 3.18 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 2 V 8.13 3.59 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 0.72 0.00 0.00 0.93 0.00 0.00 3 N 8.64 4.05 0.00 2.13 2.51 0.00 0.00 7.22 7.59 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 4 Q 8.29 3.99 0.00 2.21 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.12 6.70 0.00 0.00 0.00 0.00 0.00 2.46 2.46 0.00 5 H 8.30 4.24 0.00 3.32 3.55 0.00 5.86 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6 L 8.43 3.96 0.00 1.70 1.69 0.92 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 7 C 8.49 4.34 0.00 2.94 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 8 G 8.35 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 7.61 3.96 0.00 3.77 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 10 H 7.72 4.11 0.00 3.43 3.28 0.00 5.68 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 11 L 7.81 3.97 0.00 1.84 1.74 1.01 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 0.00 0.00 0.00 0.00 0.00 0.00 12 V 7.73 3.45 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.06 0.00 0.00 0.86 0.00 0.00 13 E 7.88 3.97 0.00 2.15 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 2.26 2.49 0.00 14 A 7.81 4.00 1.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 8.19 3.66 0.00 0.58 0.37 0.77 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 16 Y 8.07 4.18 0.00 3.28 3.25 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 17 L 7.48 3.72 0.00 1.71 1.69 0.98 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 0.00 0.00 0.00 0.00 0.00 0.00 18 V 7.54 3.70 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 0.79 0.00 0.00 0.92 0.00 0.00 19 C 8.46 4.29 0.00 3.18 3.19 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 20 G 8.44 3.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 9.03 3.99 0.00 2.22 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 2.32 1.92 0.00 22 R 7.85 3.90 0.00 1.89 2.05 0.00 3.28 0.00 0.00 3.39 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.59 0.00 23 G 8.43 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 24 F 7.74 4.99 0.00 3.23 3.02 0.00 0.00 0.00 0.00 0.00 0.00 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 9.09 4.59 0.00 3.04 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 26 Y 8.74 4.74 0.00 3.26 3.02 0.00 0.00 0.00 0.00 0.00 0.00 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 7.87 4.43 4.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.00 0.00 28 P 0.00 4.37 0.00 2.28 2.43 0.00 3.79 0.00 0.00 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.13 0.00 29 K 8.18 4.04 0.00 1.74 1.40 0.00 1.85 0.00 0.00 1.74 0.00 0.00 2.94 0.00 0.00 2.64 0.00 0.00 0.00 0.00 1.12 0.84 7.81 *30 T 9.00 4.22 4.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.