NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.4032 8.1633 120.3476 55.7829 33.9886 176.8480 2 V 3.7123 7.7925 108.0161 60.8664 31.5607 173.9120 3 I 4.3191 7.6640 122.2147 59.1743 39.1830 174.6181 4 A 4.5726 8.8319 132.1165 51.0340 20.8282 177.7267 5 T 3.9859 8.2656 114.4522 66.9296 68.1339 176.9407 6 D 4.3556 8.0990 119.6587 57.2830 40.9278 177.6855 7 D 4.6023 7.6341 115.9672 55.4053 41.2872 176.6064 8 L 4.6483 7.6204 118.6282 55.3588 45.2189 176.3376 9 E 4.9303 8.6191 117.7675 54.7488 32.9890 175.4520 10 V 4.5032 8.8703 124.8720 60.5329 34.4802 174.8494 11 A 4.4971 8.4818 127.7801 52.0522 19.3121 176.7295 12 C 4.3623 9.1246 122.9794 58.4537 31.9731 173.0099 13 P 4.3310 0.0000 0.0000 65.0745 31.3551 177.6034 14 K 4.1431 8.1638 119.9647 58.7688 32.4903 178.3259 15 C 4.7407 7.7328 113.2142 63.2407 30.2191 175.2155 16 E 3.9940 7.3047 118.0497 61.6263 25.0971 177.1827 17 R 3.8236 8.0827 115.7263 56.4489 28.7694 176.4577 18 A 4.4321 9.1798 118.7714 53.1299 20.5678 180.4657 19 G 3.9580 7.1595 102.2643 45.3235 0.0000 174.1078 *26 C 4.4508 8.5257 125.1702 58.3439 32.2010 172.6180 27 P 4.2781 0.0000 0.0000 65.4064 31.4266 178.5049 28 A 4.0987 8.1960 120.4910 54.5665 18.4095 177.6255 29 C 4.5886 8.0237 108.1041 56.9887 31.0309 173.6422 30 S 3.7415 8.3190 113.0192 59.6894 61.3728 173.3162 31 G 3.9818 8.1228 107.0861 46.7676 0.0000 175.5214 32 K 3.9776 7.8707 120.2544 59.3443 32.3121 179.4958 33 G 3.9296 7.9416 106.8149 45.0070 0.0000 172.8064 34 V 4.7890 7.0106 112.2768 59.2700 33.5517 175.9526 35 I 3.9375 8.5699 128.1805 61.1786 37.9908 175.9140 36 L 4.6385 8.4578 127.3226 54.5688 42.6489 177.0262 37 T 4.3276 8.2441 112.9440 60.8907 70.5401 175.6484 38 A 4.0886 8.8056 123.0762 55.5732 18.2653 179.3284 39 Q 3.9981 8.3138 117.6051 59.4141 28.9348 178.8285 40 G 3.4891 7.7567 106.2514 48.0751 0.0000 175.1321 41 Y 4.2097 7.8244 119.8127 60.8420 38.0714 178.6913 42 T 4.1435 8.1910 116.8275 66.9632 68.5327 176.2352 43 L 4.0581 7.7735 119.7991 57.8132 41.6711 179.3947 44 L 3.9867 8.0743 120.1458 58.3818 42.0624 178.6977 45 D 4.4362 9.0630 119.8589 57.2859 40.6211 178.5584 46 F 4.2386 8.2348 120.6680 61.4525 39.3581 177.3437 47 I 3.4013 8.1180 119.5984 64.3404 36.7100 178.2221 48 Q 3.9165 8.1977 119.6411 59.0681 28.9572 178.0080 49 K 4.1114 8.0333 119.5418 58.6492 32.3157 176.8651 50 H 4.6327 7.2425 113.0647 55.0644 30.8332 174.0257 51 L 3.7503 7.8277 121.9635 56.2936 42.2183 176.5310 52 N 4.5450 8.7829 122.0058 53.9289 38.5312 173.9722 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 M 8.16 4.40 0.00 2.03 2.12 0.00 0.00 0.00 0.00 0.00 -0.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.56 2.51 0.00 2 V 7.79 3.71 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 0.69 0.00 0.00 0.92 0.00 0.00 3 I 7.66 4.32 1.86 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 1.22 0.86 0.90 0.00 0.00 4 A 8.83 4.57 1.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5 T 8.27 3.99 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 1.19 0.00 0.00 6 D 8.10 4.36 0.00 2.61 2.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7 D 7.63 4.60 0.00 2.77 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 8 L 7.62 4.65 0.00 1.65 1.59 0.90 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 9 E 8.62 4.93 0.00 1.73 1.76 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 2.16 2.19 0.00 10 V 8.87 4.50 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 1.02 0.00 0.00 0.98 0.00 0.00 11 A 8.48 4.50 1.23 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 0.00 0.00 0.00 12 C 9.12 4.36 0.00 3.06 2.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 13 P 0.00 4.33 0.00 2.22 2.18 0.00 3.82 0.00 0.00 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.96 0.00 14 K 8.16 4.14 0.00 1.74 1.86 0.00 1.75 0.00 0.00 1.76 0.00 0.00 3.02 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.40 1.42 7.81 15 C 7.73 4.74 0.00 3.18 3.10 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 0.00 0.00 0.00 0.00 16 E 7.30 3.99 0.00 2.02 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 0.00 2.30 2.31 0.00 17 R 8.08 3.82 0.00 1.92 2.05 0.00 3.27 0.00 0.00 3.22 7.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.67 0.00 18 A 9.18 4.43 1.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 G 7.16 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 *26 C 8.53 4.45 0.00 3.00 2.80 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 27 P 0.00 4.28 0.00 2.22 2.08 0.00 3.66 0.00 0.00 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.08 0.00 28 A 8.20 4.10 1.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 29 C 8.02 4.59 0.00 3.10 3.16 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 30 S 8.32 3.74 0.00 4.22 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 31 G 8.12 3.98 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 0.00 0.00 0.00 32 K 7.87 3.98 0.00 1.86 2.03 0.00 1.72 0.00 0.00 1.65 0.00 0.00 2.97 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.48 1.64 7.81 33 G 7.94 3.93 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 0.00 0.00 0.00 34 V 7.01 4.79 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 0.75 0.00 0.00 0.94 0.00 0.00 35 I 8.57 3.94 1.88 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.45 0.94 0.00 0.00 36 L 8.46 4.64 0.00 0.77 0.97 0.48 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 0.00 0.00 0.00 0.00 37 T 8.24 4.33 4.25 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 1.20 0.00 0.00 38 A 8.81 4.09 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 39 Q 8.31 4.00 0.00 2.17 2.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.85 0.00 0.00 0.00 0.00 0.00 2.42 2.50 0.00 40 G 7.76 3.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 Y 7.82 4.21 0.00 3.29 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 42 T 8.19 4.14 4.46 0.00 0.00 0.00 0.00 0.00 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 43 L 7.77 4.06 0.00 1.93 1.76 1.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 44 L 8.07 3.99 0.00 1.94 1.85 0.93 1.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 45 D 9.06 4.44 0.00 2.82 2.79 0.00 0.00 0.00 0.00 0.00 0.00 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 F 8.23 4.24 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 47 I 8.12 3.40 1.90 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 1.67 0.77 0.89 0.00 0.00 48 Q 8.20 3.92 0.00 2.10 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.12 7.01 0.00 0.00 0.00 0.00 0.00 2.38 2.37 0.00 49 K 8.03 4.11 0.00 1.92 1.94 0.00 1.83 0.00 0.00 1.77 0.00 0.00 3.03 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.44 1.45 7.81 50 H 7.24 4.63 0.00 2.92 3.09 0.00 5.75 0.00 0.00 0.00 0.00 6.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 51 L 7.83 3.75 0.00 1.64 1.60 0.90 1.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.00 0.00 0.00 0.00 0.00 0.00 52 N 8.78 4.55 0.00 2.89 2.77 0.00 0.00 6.97 7.56 0.00 0.00 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.