NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- *1 F 4.6371 8.3249 119.0077 56.6384 40.2967 174.3186 2 V 4.3127 7.8373 114.6426 60.8606 32.4267 175.4847 3 N 4.3131 9.2668 121.9662 56.8325 39.1111 176.7287 4 Q 3.9941 8.0341 118.5093 59.2332 28.5129 178.0255 5 H 4.1939 8.2516 118.7043 59.3030 29.3925 177.1630 6 L 3.9733 7.8761 120.3471 57.8930 41.5370 178.8951 7 C 4.2188 8.3450 118.8904 62.5851 31.5463 175.7643 8 G 3.7279 8.4897 107.6389 47.9085 0.0000 175.3982 9 S 3.9572 7.7061 114.7694 61.5907 62.3507 176.1302 10 H 4.2265 7.9037 117.7867 58.6593 28.3665 177.8352 11 L 3.9465 7.9538 120.8633 57.9178 41.4829 179.8741 12 V 3.2264 7.4225 112.2312 64.2603 31.1901 178.3194 13 E 3.9009 7.7377 117.4020 59.2210 29.5072 178.7822 14 A 4.0097 7.9954 120.8970 55.0099 18.4447 179.6392 15 L 3.7489 7.8795 117.7623 57.7515 41.2562 179.0217 16 Y 4.2783 7.7417 119.5774 60.8007 38.5371 178.2860 17 L 4.0016 7.5062 118.5994 57.6197 41.8672 179.3327 18 V 3.7007 7.6152 117.1308 66.2879 31.9670 177.6495 19 C 4.3297 8.4442 116.0880 59.7378 28.4130 175.4067 20 G 3.7088 8.0885 108.0095 46.6055 0.0000 177.2732 21 E 4.0048 8.8290 123.3215 58.4847 29.6340 178.0007 22 R 3.8865 7.7204 117.8661 58.1777 30.1769 177.3453 23 G 3.8391 9.2116 101.9915 45.1318 0.0000 171.2323 24 F 4.8595 7.3005 111.9904 56.2367 40.1694 172.6064 25 F 4.3814 9.0885 122.5205 56.2624 41.2738 173.4282 26 Y 4.8333 8.3658 128.6459 56.1326 39.6364 175.2778 27 T 4.3895 7.9058 117.8284 59.1999 69.6296 172.2752 28 P 4.0224 0.0000 0.0000 66.2108 32.0504 177.6454 29 K 4.0320 8.0051 124.7378 54.1751 31.4527 178.4768 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 F 8.32 4.64 0.00 2.04 2.13 0.00 0.00 0.00 0.00 0.00 0.00 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 V 7.84 4.31 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.88 0.00 0.00 0.96 0.00 0.00 3 N 9.27 4.31 0.00 2.82 2.90 0.00 0.00 7.04 8.02 0.00 0.00 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 Q 8.03 3.99 0.00 2.18 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.89 0.00 0.00 0.00 0.00 0.00 2.48 2.51 0.00 5 H 8.25 4.19 0.00 3.25 3.51 0.00 5.87 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6 L 7.88 3.97 0.00 1.80 1.73 0.94 0.68 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 7 C 8.35 4.22 0.00 3.11 3.11 0.00 0.00 0.00 0.00 0.00 0.00 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 G 8.49 3.73 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 0.00 0.00 0.00 9 S 7.71 3.96 0.00 3.78 3.87 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 10 H 7.90 4.23 0.00 3.35 3.31 0.00 5.67 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 11 L 7.95 3.95 0.00 1.86 1.68 1.07 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 12 V 7.42 3.23 1.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.06 0.00 0.00 0.81 0.00 0.00 13 E 7.74 3.90 0.00 2.00 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 0.00 2.31 2.32 0.00 14 A 8.00 4.01 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 15 L 7.88 3.75 0.00 0.87 0.68 0.59 0.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 16 Y 7.74 4.28 0.00 3.34 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 17 L 7.51 4.00 0.00 1.78 1.72 0.97 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 0.00 0.00 0.00 0.00 0.00 0.00 18 V 7.62 3.70 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 0.82 0.00 0.00 0.94 0.00 0.00 19 C 8.44 4.33 0.00 3.26 3.23 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 20 G 8.09 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 E 8.83 4.00 0.00 1.94 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 2.30 2.36 0.00 22 R 7.72 3.89 0.00 1.96 2.04 0.00 3.16 0.00 0.00 3.37 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.64 0.00 23 G 9.21 3.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 F 7.30 4.86 0.00 3.19 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 25 F 9.09 4.38 0.00 3.14 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 26 Y 8.37 4.83 0.00 3.18 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 27 T 7.91 4.39 4.28 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 0.00 0.00 0.00 1.62 0.00 0.00 28 P 0.00 4.02 0.00 2.14 1.97 0.00 3.66 0.00 0.00 3.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 1.93 0.00 29 K 8.01 4.03 0.00 1.79 1.65 0.00 1.84 0.00 0.00 1.74 0.00 0.00 2.94 0.00 0.00 2.78 0.00 0.00 0.00 0.00 1.37 1.03 7.81 * Residues marked with a * may have inaccurate shift predictions.