NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 G 3.9389 8.3393 109.7324 45.8315 0.0000 172.7443 2 S 4.4912 7.8220 112.4583 56.2950 65.5798 173.3565 3 F 4.1898 9.5969 122.1562 57.2096 40.6205 177.0368 4 L 4.6184 8.1976 123.6299 52.3329 41.9098 175.4046 5 P 4.2887 0.0000 0.0000 65.5054 31.5173 178.6649 6 N 4.5683 8.1384 113.7454 54.9710 38.6215 175.5859 7 S 4.5223 7.8908 111.8841 58.0731 63.8472 174.1947 8 E 4.1509 7.8499 123.1609 56.4527 29.9084 175.8333 9 Q 4.5895 8.3309 123.3112 54.2055 32.9336 173.8660 10 Q 4.6387 8.5395 121.5921 54.1269 30.9864 174.7397 11 K 4.7018 8.3863 124.5663 54.6967 35.3960 175.3127 12 S 4.7897 8.3859 119.6159 57.1516 66.7426 173.6044 13 V 4.5111 8.0082 114.8581 60.3266 35.5371 173.6145 14 D 4.7577 8.5138 121.0635 52.6850 42.1427 176.0550 15 A 4.3665 8.5674 127.3431 50.7038 19.8396 176.1974 16 V 4.2849 8.1824 123.2790 61.1981 32.7977 174.6896 17 F 4.5697 8.9936 126.5031 56.1294 40.0382 175.6279 18 S 4.8725 8.3377 121.4280 56.4790 65.0275 174.1702 19 S 4.1244 8.4512 121.3312 58.7801 63.2755 173.5951 *20 P 4.2215 0.0000 0.0000 62.3589 31.2045 174.2554 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 G 8.34 3.94 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 0.00 0.00 0.00 0.00 0.00 0.00 2 S 7.82 4.49 0.00 4.06 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 3 F 9.60 4.19 0.00 3.05 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 4 L 8.20 4.62 0.00 1.75 1.63 0.90 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 0.00 0.00 0.00 0.00 0.00 0.00 5 P 0.00 4.29 0.00 2.19 2.12 0.00 3.63 0.00 0.00 3.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 2.16 0.00 6 N 8.14 4.57 0.00 2.73 2.88 0.00 0.00 6.86 7.57 0.00 0.00 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 S 7.89 4.52 0.00 3.99 3.99 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 8 E 7.85 4.15 0.00 2.02 1.91 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 2.33 2.30 0.00 9 Q 8.33 4.59 0.00 2.02 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 6.48 0.00 0.00 0.00 0.00 0.00 2.26 2.52 0.00 10 Q 8.54 4.64 0.00 1.99 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.72 0.00 0.00 0.00 0.00 0.00 2.25 2.31 0.00 11 K 8.39 4.70 0.00 1.68 1.61 0.00 1.66 0.00 0.00 1.71 0.00 0.00 3.11 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.31 1.49 7.81 12 S 8.39 4.79 0.00 3.84 3.69 0.00 0.00 0.00 0.00 0.00 0.00 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 V 8.01 4.51 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 0.68 0.00 0.00 0.94 0.00 0.00 14 D 8.51 4.76 0.00 2.66 2.61 0.00 0.00 0.00 0.00 0.00 0.00 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 A 8.57 4.37 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 16 V 8.18 4.28 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 0.89 0.00 0.00 0.93 0.00 0.00 17 F 8.99 4.57 0.00 3.01 3.01 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 0.00 0.00 0.00 18 S 8.34 4.87 0.00 3.85 3.78 0.00 0.00 0.00 0.00 0.00 0.00 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 S 8.45 4.12 0.00 3.88 3.82 0.00 0.00 0.00 0.00 0.00 0.00 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 P 0.00 4.22 0.00 1.83 1.86 0.00 3.65 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 2.08 0.00 * Residues marked with a * may have inaccurate shift predictions.