NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- *6 P 4.3952 0.0000 0.0000 61.8229 33.0826 176.7641 7 A 3.9281 8.2905 121.8723 54.0524 18.3631 177.9990 8 K 3.8058 8.5864 119.7123 60.0199 32.4933 177.0258 9 A 4.0930 8.0255 119.9902 54.7895 18.3746 179.3999 10 A 3.9306 7.7608 119.6400 55.3503 18.5413 179.7234 11 F 4.0918 9.0656 120.2763 61.4414 39.5050 177.0368 12 D 4.2815 8.7152 118.2502 57.1484 41.0135 178.1561 13 S 4.0390 8.7433 114.4413 61.0878 62.3676 175.9239 14 L 3.8515 7.8282 123.0213 58.2102 41.8745 178.4768 15 Q 3.6981 7.7794 119.2619 59.1335 28.5933 178.5110 16 A 3.9305 7.9033 121.5098 55.1958 18.4580 179.5822 17 S 4.0895 8.4029 113.8629 62.0292 63.0963 177.0962 18 A 4.0151 8.6907 123.4928 55.0694 17.8131 179.9884 19 T 3.8036 7.6119 113.8431 66.9255 68.8314 176.6350 20 E 4.1143 9.6041 120.5819 59.6931 29.4943 179.1862 21 M 4.4967 8.4646 118.4289 58.7398 32.2662 177.9757 22 I 3.8749 7.8534 118.8401 64.1256 37.9594 178.1167 23 G 3.6311 7.9365 106.6300 47.6269 0.0000 175.4979 24 Y 4.0247 8.0105 118.8707 60.8319 37.7844 178.2765 25 A 4.1103 8.1935 121.1902 55.0520 18.5964 179.2959 26 W 4.1047 8.1931 126.2354 60.5279 30.7925 178.0794 27 A 3.9013 8.4745 121.0291 55.2810 17.7815 179.3687 28 M 3.9223 8.7674 117.5293 58.7446 32.2649 178.5931 29 V 3.5213 8.5954 119.5216 66.0121 31.7670 177.9786 30 V 3.0852 7.7320 118.2348 65.8217 31.0827 178.2330 31 V 3.4663 7.6241 117.7329 65.9070 31.4285 178.0683 32 I 4.3074 8.2166 121.6615 63.9439 37.0170 178.7235 33 V 3.6029 8.6285 120.1990 65.8196 31.3455 178.3834 34 G 3.3784 8.2736 105.4982 47.6187 0.0000 175.6692 35 A 4.1200 8.5654 124.9465 54.8544 18.5915 179.8070 36 T 3.8864 7.5501 113.9746 67.0050 68.5302 177.2036 37 I 3.9156 7.6684 121.7252 63.9810 36.9034 178.8991 38 G 4.0761 7.6649 106.7045 47.3796 0.0000 175.3049 39 I 3.8707 8.3859 123.5644 63.8306 37.0172 178.2887 40 K 3.9215 7.9321 119.8952 59.7489 31.7891 178.6070 41 L 4.0163 7.8145 118.8170 57.8512 41.3885 179.3778 42 F 4.2834 8.2086 120.5051 61.3074 39.3423 177.4434 43 K 3.9012 8.0700 117.6447 59.2360 31.9780 179.2488 44 K 3.9346 8.3805 120.2169 59.4222 31.9823 178.8020 45 F 4.1397 9.5153 120.1947 61.3445 39.6883 176.6031 46 T 3.7441 8.3559 116.8575 66.3796 68.3946 176.0810 47 S 4.1133 8.0873 115.3340 60.9113 62.6567 175.1939 48 K 3.8076 8.1345 120.6792 58.7832 32.2041 176.3359 *49 A 4.1219 7.8353 124.6994 52.2638 18.7921 175.9077 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 *6 P 0.00 4.40 0.00 1.96 1.98 0.00 3.57 0.00 0.00 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 2.09 0.00 7 A 8.29 3.93 1.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 K 8.59 3.81 0.00 1.85 1.87 0.00 1.74 0.00 0.00 1.84 0.00 0.00 2.97 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.56 1.58 7.81 9 A 8.03 4.09 1.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 A 7.76 3.93 1.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 11 F 9.07 4.09 0.00 3.07 3.08 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 0.00 0.00 0.00 0.00 12 D 8.72 4.28 0.00 2.98 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 13 S 8.74 4.04 0.00 3.95 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 14 L 7.83 3.85 0.00 1.88 1.68 0.89 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.00 0.00 0.00 0.00 0.00 0.00 15 Q 7.78 3.70 0.00 1.79 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.23 6.60 0.00 0.00 0.00 0.00 0.00 2.24 2.21 0.00 16 A 7.90 3.93 1.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 S 8.40 4.09 0.00 3.96 3.92 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 0.00 0.00 0.00 18 A 8.69 4.02 1.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19 T 7.61 3.80 4.33 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 1.17 0.00 0.00 20 E 9.60 4.11 0.00 2.18 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.35 2.50 0.00 21 M 8.46 4.50 0.00 2.19 2.18 0.00 0.00 0.00 0.00 0.00 1.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.66 2.60 0.00 22 I 7.85 3.87 2.10 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.22 1.07 0.00 0.00 23 G 7.94 3.63 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 0.00 24 Y 8.01 4.02 0.00 3.30 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 A 8.19 4.11 1.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 W 8.19 4.10 0.00 3.41 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 27 A 8.47 3.90 1.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 28 M 8.77 3.92 0.00 2.10 2.16 0.00 0.00 0.00 0.00 0.00 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.61 2.54 0.00 29 V 8.60 3.52 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 0.82 0.00 0.00 0.97 0.00 0.00 30 V 7.73 3.09 1.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 0.00 0.00 -0.97 0.00 0.00 31 V 7.62 3.47 2.20 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 0.93 0.00 0.00 0.92 0.00 0.00 32 I 8.22 4.31 1.96 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 1.37 0.89 0.88 0.00 0.00 33 V 8.63 3.60 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 0.93 0.00 0.00 0.89 0.00 0.00 34 G 8.27 3.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 35 A 8.57 4.12 1.26 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 0.00 0.00 0.00 36 T 7.55 3.89 4.90 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 0.00 0.00 1.20 0.00 0.00 37 I 7.67 3.92 2.44 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 1.34 0.89 0.00 0.00 38 G 7.66 4.08 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 39 I 8.39 3.87 1.92 0.00 0.00 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.96 0.92 0.00 0.00 40 K 7.93 3.92 0.00 1.99 2.03 0.00 1.66 0.00 0.00 1.66 0.00 0.00 2.97 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.47 1.52 7.81 41 L 7.81 4.02 0.00 1.95 1.73 0.88 1.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 0.00 0.00 0.00 0.00 0.00 0.00 42 F 8.21 4.28 0.00 3.17 3.35 0.00 0.00 0.00 0.00 0.00 0.00 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 K 8.07 3.90 0.00 2.07 1.87 0.00 1.78 0.00 0.00 1.80 0.00 0.00 2.98 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.66 1.68 7.81 44 K 8.38 3.93 0.00 1.84 1.86 0.00 1.65 0.00 0.00 1.62 0.00 0.00 2.92 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.48 1.46 7.81 45 F 9.52 4.14 0.00 2.98 3.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46 T 8.36 3.74 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.70 0.00 0.00 47 S 8.09 4.11 0.00 3.67 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 48 K 8.13 3.81 0.00 1.67 1.88 0.00 1.88 0.00 0.00 1.71 0.00 0.00 2.96 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.38 1.34 7.81 *49 A 7.84 4.12 1.24 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 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.