NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 F 4.7988 8.3249 122.8341 58.2525 40.9980 174.9797 2 V 3.9420 7.5765 110.0948 60.0923 31.3535 176.1615 3 N 4.1140 7.8109 120.8572 56.5728 39.8814 176.1788 4 Q 3.9086 8.0334 119.9620 59.9935 28.7984 178.7793 5 H 4.2342 7.6100 117.6687 59.2512 29.7482 177.0151 6 L 4.2161 8.1534 120.9185 57.4422 41.6597 179.0861 7 C 4.9080 7.6411 118.6720 59.4375 31.1504 175.6091 *9 S 4.2800 8.0997 116.5377 58.5582 64.6947 176.2120 10 H 4.3185 7.5510 116.7640 58.1712 28.2250 177.9910 11 L 3.8878 7.7358 120.9009 57.9792 41.4542 179.8452 12 V 3.0441 7.4510 111.7534 64.0640 31.5390 178.1481 13 E 3.9324 7.8370 118.3627 59.2938 29.5622 178.7336 14 A 3.9864 8.0722 120.7876 55.2345 18.3548 179.5390 15 L 3.6891 8.6213 118.6402 57.8861 41.3321 179.2053 16 Y 4.2718 8.1217 119.8113 60.7866 38.5628 178.1077 17 L 3.5599 7.5350 118.5259 57.4293 41.7607 179.3804 18 V 3.6737 7.5588 117.4621 66.1935 31.8735 177.6573 19 C 4.2998 8.5150 116.8959 61.1998 28.5043 174.6684 20 G 3.6711 8.2825 110.0089 46.3422 0.0000 175.7626 21 E 4.1960 8.8403 122.2039 58.2863 29.5900 178.0899 22 R 3.9727 7.9382 118.0892 56.7172 30.4405 177.9043 23 G 3.9743 8.8168 106.8519 45.3740 0.0000 171.5411 24 F 4.9203 7.5232 111.9877 56.5828 39.9192 172.7897 25 F 4.6208 9.2919 119.2313 55.7055 41.2429 174.2402 26 Y 4.9807 8.7531 126.2162 56.2910 39.9372 175.2151 27 T 4.1370 7.9818 123.3877 60.6650 69.9179 171.7472 28 P 3.9582 0.0000 0.0000 65.0638 31.4607 176.3060 29 K 4.3888 7.3691 121.5093 53.9970 33.7200 176.7591 30 T 4.0548 8.3410 120.1802 64.0000 68.3355 174.3442 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 4.80 0.00 2.90 3.17 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 0.00 0.00 0.00 2 V 7.58 3.94 2.07 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 0.76 0.00 0.00 0.91 0.00 0.00 3 N 7.81 4.11 0.00 2.43 2.66 0.00 0.00 6.57 7.75 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 4 Q 8.03 3.91 0.00 2.09 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.30 6.91 0.00 0.00 0.00 0.00 0.00 2.47 2.47 0.00 5 H 7.61 4.23 0.00 3.22 3.46 0.00 5.81 0.00 0.00 0.00 0.00 7.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6 L 8.15 4.22 0.00 1.86 1.72 0.92 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 0.00 0.00 0.00 0.00 0.00 0.00 7 C 7.64 4.91 0.00 3.08 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 *9 S 8.10 4.28 0.00 3.99 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 10 H 7.55 4.32 0.00 3.10 3.30 0.00 5.62 0.00 0.00 0.00 0.00 6.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 11 L 7.74 3.89 0.00 1.57 1.56 0.95 0.76 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 12 V 7.45 3.04 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.25 0.00 0.00 0.88 0.00 0.00 13 E 7.84 3.93 0.00 2.17 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.38 2.36 0.00 14 A 8.07 3.99 1.35 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 0.00 0.00 15 L 8.62 3.69 0.00 0.87 0.43 0.50 0.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 16 Y 8.12 4.27 0.00 3.23 3.32 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 17 L 7.53 3.56 0.00 1.63 1.61 0.95 0.73 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 18 V 7.56 3.67 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 0.79 0.00 0.00 0.92 0.00 0.00 19 C 8.52 4.30 0.00 3.21 3.21 0.00 0.00 0.00 0.00 0.00 0.00 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 8.28 3.67 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 21 E 8.84 4.20 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 2.32 2.41 0.00 22 R 7.94 3.97 0.00 2.02 2.04 0.00 3.26 0.00 0.00 3.36 7.36 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 8.82 3.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 7.52 4.92 0.00 3.27 3.11 0.00 0.00 0.00 0.00 0.00 0.00 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 9.29 4.62 0.00 3.01 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 26 Y 8.75 4.98 0.00 3.24 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 27 T 7.98 4.14 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 1.19 0.00 0.00 28 P 0.00 3.96 0.00 2.10 2.03 0.00 3.34 0.00 0.00 2.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 1.82 0.00 29 K 7.37 4.39 0.00 1.71 1.70 0.00 1.77 0.00 0.00 1.70 0.00 0.00 2.99 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.35 1.43 7.81 30 T 8.34 4.05 4.23 0.00 0.00 0.00 0.00 0.00 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 * Residues marked with a * may have inaccurate shift predictions.