NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.3708 8.1633 120.3270 56.0623 32.2001 176.4196 2 T 3.2792 9.0479 120.7818 62.5979 68.3294 171.8233 3 K 4.4522 9.0430 126.4351 57.5152 32.6319 178.2481 4 Q 3.9313 7.7487 116.7537 58.9430 28.5807 178.4472 5 E 3.1700 7.8904 119.1148 59.0773 29.4605 179.4070 6 K 4.0619 7.8051 117.9920 59.4189 32.2981 179.4344 7 T 3.8354 7.7372 116.0293 66.3166 68.3247 176.5238 8 A 3.9511 7.8380 122.6794 55.1008 18.4573 179.4081 9 L 4.0978 7.8524 118.8403 58.5818 42.1900 178.9675 10 N 4.4662 8.3998 116.4411 56.4902 38.4333 177.1203 11 M 4.1738 8.1275 119.0863 58.4530 32.4890 178.1360 12 A 4.1483 8.3546 121.1279 55.0962 18.4793 179.6546 13 R 3.5163 8.3690 117.4221 59.2519 30.0949 178.4065 14 F 4.3227 8.4402 120.5485 61.6235 39.4319 177.2066 15 I 3.4733 7.9123 119.3445 64.0509 36.4824 178.2826 16 R 3.8171 7.8048 119.2548 59.6067 29.8846 178.6273 17 S 4.1131 8.0247 114.7847 61.9221 62.8456 176.8441 18 Q 3.9313 7.9950 120.7344 58.6012 28.3078 178.5893 19 T 3.8831 7.9362 111.0094 64.2399 68.8377 176.7274 20 L 3.7885 7.5478 122.1315 58.2778 42.1503 178.9632 21 T 3.8214 7.7612 115.7194 66.5626 68.3129 176.4393 22 L 3.9100 8.0255 122.3208 57.8479 42.0622 178.6535 23 L 3.8989 7.9257 120.3689 58.3980 42.0271 178.9733 24 E 3.9897 8.2010 118.3741 59.2971 29.4567 179.5204 25 K 4.0283 8.2767 118.6292 59.1814 32.0651 179.4196 26 L 4.0766 8.2126 119.7368 57.6389 41.5182 179.1434 27 N 4.4069 8.2065 116.6654 56.2240 38.2355 177.3342 28 E 4.0644 8.2273 119.3021 58.7549 29.5781 178.2984 29 L 4.4236 7.6422 118.6101 54.3107 41.9574 176.7711 *30 D 4.4072 7.7115 116.3357 54.1796 38.0735 180.2298 31 A 4.5245 7.6296 123.1620 50.9783 16.2396 177.4176 32 D 4.3237 8.0792 124.8629 57.1786 41.6317 178.2445 33 E 3.9861 8.1434 118.7922 59.1752 29.6116 178.5546 34 Q 4.1382 8.0120 117.5176 58.5013 29.0564 177.9620 35 A 4.0034 8.3275 122.1099 55.0251 18.1243 179.5215 36 D 4.2889 8.1389 117.7328 57.5703 40.8246 179.0483 37 I 3.7551 7.3773 119.1009 64.5494 37.1327 178.0806 38 C 4.0837 8.2842 119.6217 62.2392 31.3076 175.2938 39 E 3.9196 8.2191 121.1768 59.2854 29.1335 178.7091 40 S 4.1211 7.8117 113.1437 61.2183 62.4407 175.6873 41 L 3.9479 8.2698 123.3255 58.5446 41.8340 178.1004 42 H 4.1443 8.5355 119.7530 58.8153 29.6658 176.5911 43 D 4.2812 8.2062 120.2339 57.9301 40.6157 178.6444 44 H 4.4386 8.0958 116.0378 58.3241 28.6869 177.7484 45 A 3.9990 8.0067 123.1264 54.9804 18.1739 179.2037 46 D 4.2737 8.2448 116.8162 57.5167 41.4615 178.2946 47 E 3.9639 8.2736 119.1555 59.3960 29.4455 179.1424 48 L 4.0130 8.2678 120.6078 58.2140 42.0572 178.4204 49 Y 4.1510 8.1996 119.6244 60.6670 38.7506 178.0627 50 R 3.6672 7.9973 118.9994 59.1565 30.2562 178.8972 51 S 3.9382 7.7947 112.2729 61.8057 62.4479 176.1769 52 C 3.9513 8.1328 119.1713 62.2357 27.7788 175.9733 53 L 3.7763 7.9436 122.5281 57.9077 41.4043 178.7236 54 A 3.8786 7.4637 119.5917 55.1735 18.3654 179.1947 55 R 3.8435 7.4085 115.4232 58.2504 30.1879 177.6076 56 F 5.2059 7.9333 115.8136 58.0391 40.8985 175.7223 57 G 3.7863 8.0463 111.4261 45.7280 0.0000 173.2142 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 4.37 0.00 2.30 2.14 0.00 0.00 0.00 0.00 0.00 -0.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.60 2.59 0.00 2 T 9.05 3.28 4.18 0.00 0.00 0.00 0.00 0.00 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 3 K 9.04 4.45 0.00 1.98 1.97 0.00 1.65 0.00 0.00 1.63 0.00 0.00 2.91 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.31 1.37 7.81 4 Q 7.75 3.93 0.00 2.04 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.39 6.90 0.00 0.00 0.00 0.00 0.00 2.40 2.46 0.00 5 E 7.89 3.17 0.00 2.04 1.56 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 0.00 1.97 2.21 0.00 6 K 7.81 4.06 0.00 1.93 1.84 0.00 1.67 0.00 0.00 1.82 0.00 0.00 3.01 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.54 1.50 7.81 7 T 7.74 3.84 4.36 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 1.17 0.00 0.00 8 A 7.84 3.95 1.15 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 0.00 0.00 0.00 9 L 7.85 4.10 0.00 2.05 1.92 1.03 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 10 N 8.40 4.47 0.00 2.79 2.86 0.00 0.00 6.70 7.28 0.00 0.00 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 M 8.13 4.17 0.00 2.29 2.19 0.00 0.00 0.00 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.71 2.67 0.00 12 A 8.35 4.15 1.59 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 0.00 0.00 13 R 8.37 3.52 0.00 2.15 2.20 0.00 3.15 0.00 0.00 3.07 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.08 0.00 14 F 8.44 4.32 0.00 3.19 3.26 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 15 I 7.91 3.47 2.03 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 1.41 0.97 0.89 0.00 0.00 16 R 7.80 3.82 0.00 1.99 1.80 0.00 3.17 0.00 0.00 3.11 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.88 0.00 17 S 8.02 4.11 0.00 3.98 3.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 18 Q 8.00 3.93 0.00 1.61 1.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.23 6.81 0.00 0.00 0.00 0.00 0.00 1.53 1.16 0.00 19 T 7.94 3.88 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 1.23 0.00 0.00 20 L 7.55 3.79 0.00 1.79 1.85 0.72 0.72 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 21 T 7.76 3.82 4.17 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 1.18 0.00 0.00 22 L 8.03 3.91 0.00 1.78 1.85 0.90 0.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 23 L 7.93 3.90 0.00 1.90 1.85 0.96 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 24 E 8.20 3.99 0.00 2.12 1.96 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 2.53 2.46 0.00 25 K 8.28 4.03 0.00 1.91 1.84 0.00 1.64 0.00 0.00 1.63 0.00 0.00 2.92 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.44 1.62 7.81 26 L 8.21 4.08 0.00 1.83 1.70 0.91 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 27 N 8.21 4.41 0.00 2.94 2.85 0.00 0.00 6.96 7.73 0.00 0.00 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 E 8.23 4.06 0.00 2.11 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.34 2.55 0.00 29 L 7.64 4.42 0.00 1.79 1.69 0.91 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 0.00 0.00 0.00 0.00 0.00 0.00 *30 D 7.71 4.41 0.00 2.85 2.58 0.00 0.00 0.00 0.00 0.00 0.00 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 A 7.63 4.52 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 32 D 8.08 4.32 0.00 2.69 2.75 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 0.00 0.00 0.00 0.00 33 E 8.14 3.99 0.00 2.03 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.37 2.40 0.00 34 Q 8.01 4.14 0.00 2.34 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.67 0.00 0.00 0.00 0.00 0.00 2.43 2.47 0.00 35 A 8.33 4.00 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 36 D 8.14 4.29 0.00 2.93 2.73 0.00 0.00 0.00 0.00 0.00 0.00 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 I 7.38 3.76 1.87 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.87 0.91 0.00 0.00 38 C 8.28 4.08 0.00 3.09 2.92 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 39 E 8.22 3.92 0.00 2.20 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 0.00 2.31 2.33 0.00 40 S 7.81 4.12 0.00 3.94 4.04 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 41 L 8.27 3.95 0.00 1.79 1.85 0.93 1.09 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 42 H 8.54 4.14 0.00 3.16 3.53 0.00 5.70 0.00 0.00 0.00 0.00 6.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 43 D 8.21 4.28 0.00 2.89 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 44 H 8.10 4.44 0.00 3.34 3.34 0.00 5.81 0.00 0.00 0.00 0.00 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 45 A 8.01 4.00 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 46 D 8.24 4.27 0.00 2.68 2.77 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 0.00 0.00 0.00 47 E 8.27 3.96 0.00 2.24 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 2.31 2.43 0.00 48 L 8.27 4.01 0.00 1.87 1.89 0.97 1.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 49 Y 8.20 4.15 0.00 3.13 3.15 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 0.00 50 R 8.00 3.67 0.00 1.96 1.90 0.00 3.37 0.00 0.00 3.18 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 1.80 0.00 51 S 7.79 3.94 0.00 3.96 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 52 C 8.13 3.95 0.00 3.04 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 53 L 7.94 3.78 0.00 1.07 1.46 0.85 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.00 0.00 0.00 0.00 0.00 0.00 54 A 7.46 3.88 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 55 R 7.41 3.84 0.00 1.43 0.99 0.00 2.91 0.00 0.00 2.47 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.02 1.37 0.00 56 F 7.93 5.21 0.00 3.18 2.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 57 G 8.05 3.79 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 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.