NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 5 L 4.3745 8.1693 120.6278 54.8018 43.1464 176.8499 6 T 4.1002 8.3297 113.2195 60.3063 71.0748 174.5186 7 L 3.8974 8.6108 122.6405 57.8495 42.0407 180.5664 8 A 4.0594 7.7325 119.1987 55.1254 18.7995 179.0890 9 Q 3.6506 7.5384 116.1205 59.2353 28.6445 179.8024 10 T 3.8514 7.7160 112.7607 64.7026 67.8574 176.2402 *12 S 4.4343 7.9543 119.0936 58.6851 65.0314 175.4312 13 L 4.0243 7.8754 119.8863 57.8375 41.3968 180.3208 14 R 4.1143 7.7155 115.1783 56.6787 29.5093 178.0035 *16 V 4.0490 7.9332 118.4609 63.1792 33.2341 179.3328 17 C 4.5458 8.1894 122.6108 56.2486 42.3474 174.6442 *19 T 4.0917 7.8455 107.2412 60.6184 70.4233 172.7293 20 N 4.8539 8.1321 121.6301 51.9118 40.9079 174.2656 21 M 3.9234 8.9917 125.7941 58.6072 32.2581 177.9735 22 A 4.0483 7.8010 119.5499 55.0379 19.1279 179.1480 23 C 3.6810 7.8891 116.1291 59.6268 43.2146 175.5612 24 D 4.4233 8.1996 115.9518 55.5928 40.7360 177.2205 *26 M 4.4625 8.0911 119.0433 55.1219 34.1999 177.2971 27 A 4.3259 8.3501 120.8217 55.3648 18.2229 179.3805 28 D 4.3429 7.7261 115.1318 57.1049 40.9117 178.3360 29 A 4.3063 7.8230 120.0363 53.7987 19.1443 177.8038 30 Q 4.4075 8.7633 112.9953 54.9714 30.8038 177.0036 31 G 4.1594 8.1593 103.2185 45.8171 0.0000 174.6453 32 I 3.7988 8.1960 119.0836 63.7426 37.9284 178.4980 33 V 3.6425 7.8308 118.5491 66.0598 31.5258 177.7446 34 A 4.1779 8.0990 119.8231 55.0011 18.3828 179.3407 35 A 4.1169 8.2422 119.3471 55.5686 18.5194 179.2127 36 Y 4.2268 8.6452 118.5041 61.1864 38.6609 178.2987 37 Q 4.9594 8.9187 120.2405 58.5763 28.5550 178.7619 38 A 3.9457 8.0809 121.0819 54.2577 18.4595 178.7213 39 F 4.2165 7.9505 113.9242 57.8116 40.3239 176.3151 40 Y 4.2886 8.0365 114.0472 56.7194 40.3240 173.6828 41 G 3.7202 7.4220 102.8445 43.1407 0.0000 171.1595 42 P 4.5791 0.0000 0.0000 62.4556 31.5006 176.5525 43 I 3.6977 8.4851 122.5282 61.5867 37.3371 174.7546 44 P 4.5088 0.0000 0.0000 62.8248 31.7240 176.0609 45 F 4.5854 7.0930 123.2697 57.9314 39.1084 175.1810 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 5 L 8.17 4.37 0.00 1.64 1.62 0.95 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 6 T 8.33 4.10 4.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.00 0.00 7 L 8.61 3.90 0.00 1.59 1.74 0.90 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 8 A 7.73 4.06 1.19 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 0.00 0.00 9 Q 7.54 3.65 0.00 1.99 1.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 7.00 0.00 0.00 0.00 0.00 0.00 1.16 1.85 0.00 10 T 7.72 3.85 4.34 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 1.21 0.00 0.00 *12 S 7.95 4.43 0.00 4.12 4.05 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 13 L 7.88 4.02 0.00 1.85 1.59 0.77 0.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.22 0.00 0.00 0.00 0.00 0.00 0.00 14 R 7.72 4.11 0.00 1.82 1.97 0.00 3.20 0.00 0.00 3.16 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.77 0.00 *16 V 7.93 4.05 2.16 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 0.10 0.00 0.00 0.88 0.00 0.00 17 C 8.19 4.55 0.00 3.15 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 *19 T 7.85 4.09 4.26 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 1.21 0.00 0.00 20 N 8.13 4.85 0.00 2.79 2.80 0.00 0.00 7.12 7.04 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 21 M 8.99 3.92 0.00 2.01 2.09 0.00 0.00 0.00 0.00 0.00 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.59 2.54 0.00 22 A 7.80 4.05 1.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 23 C 7.89 3.68 0.00 2.13 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 24 D 8.20 4.42 0.00 2.79 2.76 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 *26 M 8.09 4.46 0.00 2.31 2.31 0.00 0.00 0.00 0.00 0.00 -0.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.67 2.67 0.00 27 A 8.35 4.33 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 D 7.73 4.34 0.00 2.72 2.76 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 29 A 7.82 4.31 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 30 Q 8.76 4.41 0.00 2.14 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 5.48 0.00 0.00 0.00 0.00 0.00 2.30 2.30 0.00 31 G 8.16 4.16 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 0.00 0.00 0.00 32 I 8.20 3.80 1.92 0.00 0.00 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.30 0.94 0.00 0.00 33 V 7.83 3.64 2.14 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 1.13 0.00 0.00 0.97 0.00 0.00 34 A 8.10 4.18 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 35 A 8.24 4.12 1.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 Y 8.65 4.23 0.00 3.22 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 37 Q 8.92 4.96 0.00 2.35 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.59 0.00 0.00 0.00 0.00 0.00 2.50 2.54 0.00 38 A 8.08 3.95 1.19 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 0.00 0.00 39 F 7.95 4.22 0.00 2.76 2.36 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 40 Y 8.04 4.29 0.00 1.47 2.37 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 41 G 7.42 3.72 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 0.00 0.00 0.00 42 P 0.00 4.58 0.00 2.08 2.04 0.00 3.73 0.00 0.00 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.14 0.00 43 I 8.49 3.70 1.90 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.17 0.93 0.00 0.00 44 P 0.00 4.51 0.00 1.67 1.93 0.00 3.04 0.00 0.00 3.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.49 1.44 0.00 45 F 7.09 4.59 0.00 2.83 2.87 0.00 0.00 0.00 0.00 0.00 0.00 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.