NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 12 L 4.1541 8.1731 120.6285 54.0451 43.8885 175.9222 13 G 3.4848 7.9376 102.2886 43.1848 0.0000 171.4000 14 A 4.2554 8.9696 123.0143 51.4050 19.9836 175.5329 15 N 4.5275 8.4097 117.7506 53.0532 39.2258 175.5329 16 D 4.6474 8.4501 122.7284 54.4821 41.7643 175.5955 17 E 4.7182 8.1821 119.8248 54.9879 33.6363 175.0270 18 L 4.4357 8.3090 122.2527 53.9169 42.9911 176.1223 19 I 4.0836 8.0069 122.5581 59.6204 38.7382 175.8764 20 S 4.3490 8.0761 121.7093 57.1299 62.1690 173.2566 21 F 4.6896 8.2166 124.4649 56.3546 40.1154 176.8116 22 K 4.6018 8.3610 127.3136 55.3449 32.1642 175.8316 23 D 4.7190 8.0628 118.2683 52.9295 42.0097 175.2444 24 E 4.0945 8.8500 127.2901 56.2704 30.5004 177.6296 25 G 3.8429 7.6513 105.1407 45.3502 0.0000 172.3135 26 E 4.7550 8.5004 117.9404 54.3587 32.7320 175.0964 27 Q 4.3128 8.3702 120.5514 55.6085 30.3478 176.3372 *28 E 4.1367 8.5855 115.0429 56.6708 31.3176 175.2177 *38 E 4.4354 8.2667 117.7087 56.6557 32.1237 178.5890 39 R 4.0581 7.9091 122.5444 60.9520 30.2087 180.8573 40 D 4.7269 8.0382 119.1516 58.8547 39.8581 183.4574 41 L 4.3192 7.9041 118.7698 57.5193 41.5847 178.8709 42 A 4.0922 7.5905 120.6753 55.4439 18.1937 179.4958 43 D 4.2905 7.9897 116.7780 57.2768 41.0651 178.8282 44 V 3.5495 7.3536 117.7252 65.9764 31.4001 178.1231 45 K 3.9493 8.4451 118.7445 59.6764 31.7425 179.5315 46 S 4.2835 7.6414 112.9875 61.1833 63.3852 176.0851 47 S 4.2119 8.0911 117.0700 61.0862 61.8979 175.8338 48 L 4.1408 7.9709 122.3164 57.2527 41.8196 178.3208 49 V 4.3161 7.0767 108.5006 60.8557 31.9054 175.6428 50 N 4.5964 7.7132 121.2307 53.4960 39.3185 174.1679 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 12 L 8.17 4.15 0.00 1.65 1.75 0.92 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 0.00 0.00 0.00 0.00 0.00 0.00 13 G 7.94 3.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 14 A 8.97 4.26 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 15 N 8.41 4.53 0.00 2.70 2.77 0.00 0.00 6.99 8.06 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 16 D 8.45 4.65 0.00 2.67 2.60 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 17 E 8.18 4.72 0.00 1.89 1.77 0.00 0.00 0.00 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 2.31 0.00 18 L 8.31 4.44 0.00 1.60 1.56 0.92 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 19 I 8.01 4.08 1.53 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.50 0.12 0.00 0.00 20 S 8.08 4.35 0.00 3.73 3.76 0.00 0.00 0.00 0.00 0.00 0.00 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 F 8.22 4.69 0.00 3.06 2.96 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 22 K 8.36 4.60 0.00 1.64 1.70 0.00 1.66 0.00 0.00 1.65 0.00 0.00 3.05 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.32 1.49 7.81 23 D 8.06 4.72 0.00 2.73 2.59 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 24 E 8.85 4.09 0.00 1.98 1.95 0.00 0.00 0.00 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 2.31 0.00 25 G 7.65 3.84 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 0.00 0.00 0.00 0.00 0.00 0.00 26 E 8.50 4.75 0.00 1.93 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 2.20 2.19 0.00 27 Q 8.37 4.31 0.00 2.15 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.76 6.65 0.00 0.00 0.00 0.00 0.00 2.27 2.34 0.00 *28 E 8.59 4.14 0.00 1.76 1.81 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 0.00 2.13 2.37 0.00 *38 E 8.27 4.44 0.00 1.91 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.21 1.88 0.00 39 R 7.91 4.06 0.00 1.90 1.87 0.00 3.24 0.00 0.00 3.26 7.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.25 0.00 40 D 8.04 4.73 0.00 2.68 2.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 41 L 7.90 4.32 0.00 1.86 1.74 0.92 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 42 A 7.59 4.09 1.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 43 D 7.99 4.29 0.00 2.83 2.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 44 V 7.35 3.55 2.24 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 1.03 0.00 0.00 0.97 0.00 0.00 45 K 8.45 3.95 0.00 1.79 1.85 0.00 1.71 0.00 0.00 1.70 0.00 0.00 3.00 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.46 1.65 7.81 46 S 7.64 4.28 0.00 3.97 3.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47 S 8.09 4.21 0.00 3.94 4.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 48 L 7.97 4.14 0.00 1.75 1.94 0.92 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 49 V 7.08 4.32 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 0.82 0.00 0.00 1.01 0.00 0.00 50 N 7.71 4.60 0.00 2.71 2.65 0.00 0.00 6.72 7.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.