NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 C 4.7397 8.4544 115.5913 55.1750 43.8384 172.8341 2 R 4.1979 8.3412 125.5530 52.7344 30.6772 174.7477 3 I 4.2769 8.3158 118.7849 60.4503 40.3388 176.5992 *5 N 5.0723 8.7880 118.4306 52.1431 39.1855 172.7962 6 Q 4.2315 7.6495 122.0755 55.1988 30.5464 173.6180 7 K 4.4949 8.9519 128.4173 57.2620 32.4919 174.1930 8 C 5.1926 8.8304 121.4992 53.4370 43.7912 173.5295 9 F 4.3352 8.7773 123.0401 57.0206 40.1098 176.5641 10 Q 4.0700 8.6140 126.5009 59.3512 28.8186 177.6814 11 H 4.2744 8.6463 116.9210 58.2234 30.6401 175.1509 12 L 4.8273 7.7645 117.5354 54.1216 39.7029 177.9499 13 D 4.5848 7.8677 117.8888 54.4665 38.4196 175.8572 14 D 4.7395 8.4222 124.3948 53.6809 40.1273 177.7212 15 C 4.7282 7.8088 117.6836 57.1071 40.9266 175.1277 16 C 4.1868 8.8296 122.5579 59.4947 43.2333 174.9216 17 S 4.1372 8.0151 111.4845 58.0139 63.3133 174.2033 18 R 3.9267 7.7861 118.7601 56.8909 28.2939 175.5904 19 K 4.5394 7.7808 116.9826 54.6873 34.4246 174.6309 20 C 5.1937 8.6302 121.3586 54.7240 39.3413 173.8263 21 N 4.5833 8.6761 123.2079 51.8379 37.8562 175.9936 22 R 3.7232 7.9951 114.0188 58.6644 29.1185 177.1380 23 F 4.6577 7.5920 116.9491 56.7318 39.0612 175.2295 24 N 4.2436 7.9601 117.1688 54.3631 36.7921 173.6865 25 K 5.2436 7.3078 114.6521 54.5321 36.8811 175.6655 26 C 4.9589 8.8048 119.6291 56.8927 42.0468 174.4203 27 V 4.0847 8.0746 119.1394 63.2655 31.0455 175.1045 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 C 8.45 4.74 0.00 3.00 3.19 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 2 R 8.34 4.20 0.00 2.01 1.97 0.00 3.16 0.00 0.00 3.21 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.70 0.00 3 I 8.32 4.28 1.88 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.74 0.92 0.00 0.00 *5 N 8.79 5.07 0.00 2.75 3.01 0.00 0.00 6.33 7.39 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 6 Q 7.65 4.23 0.00 2.19 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.49 6.91 0.00 0.00 0.00 0.00 0.00 2.35 2.36 0.00 7 K 8.95 4.49 0.00 1.83 1.83 0.00 1.92 0.00 0.00 1.77 0.00 0.00 3.06 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.46 1.45 7.81 8 C 8.83 5.19 0.00 3.01 3.03 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 0.00 0.00 0.00 9 F 8.78 4.34 0.00 3.16 2.99 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 10 Q 8.61 4.07 0.00 2.10 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.47 6.76 0.00 0.00 0.00 0.00 0.00 2.28 2.20 0.00 11 H 8.65 4.27 0.00 3.31 3.39 0.00 5.67 0.00 0.00 0.00 0.00 6.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 12 L 7.76 4.83 0.00 1.80 1.68 1.02 1.03 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 13 D 7.87 4.58 0.00 2.82 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 14 D 8.42 4.74 0.00 2.94 2.95 0.00 0.00 0.00 0.00 0.00 0.00 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 C 7.81 4.73 0.00 3.13 3.06 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 0.00 0.00 0.00 0.00 16 C 8.83 4.19 0.00 3.12 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 17 S 8.02 4.14 0.00 4.02 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 18 R 7.79 3.93 0.00 1.99 2.13 0.00 3.10 0.00 0.00 3.23 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.74 0.00 19 K 7.78 4.54 0.00 1.73 1.68 0.00 1.61 0.00 0.00 1.64 0.00 0.00 2.97 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.33 1.51 7.81 20 C 8.63 5.19 0.00 2.90 2.95 0.00 0.00 0.00 0.00 0.00 0.00 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 N 8.68 4.58 0.00 2.90 3.03 0.00 0.00 6.45 7.10 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 22 R 8.00 3.72 0.00 1.51 1.76 0.00 2.68 0.00 0.00 2.82 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 0.50 0.00 23 F 7.59 4.66 0.00 3.11 3.00 0.00 0.00 0.00 0.00 0.00 0.00 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 N 7.96 4.24 0.00 2.79 2.58 0.00 0.00 6.74 7.62 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 25 K 7.31 5.24 0.00 1.83 1.70 0.00 1.75 0.00 0.00 1.65 0.00 0.00 3.10 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.52 1.54 7.81 26 C 8.80 4.96 0.00 3.13 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 V 8.07 4.08 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 0.71 0.00 0.00 1.07 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.