NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 G 3.8931 8.2133 109.7229 45.5852 0.0000 175.5259 3 K 4.2581 8.3335 120.5201 56.0513 31.4098 176.2436 4 G 3.8169 8.3635 107.7673 44.9252 0.0000 172.8521 5 D 4.4076 7.9225 119.6591 53.6289 40.8383 176.3985 6 R 3.9848 8.7012 127.3883 59.4419 30.2001 177.8882 7 R 3.9414 7.7685 115.6557 56.3073 29.8094 175.9008 8 T 4.7526 7.3791 106.9757 58.9359 71.8417 174.6233 9 R 4.0481 8.4820 120.5523 58.7327 29.9139 178.3330 10 R 4.2601 7.8882 117.5531 58.5893 30.6240 178.5554 11 G 4.3073 7.9550 104.6859 46.2481 0.0000 174.5460 12 K 4.2682 7.7185 120.6772 58.4370 32.6093 178.4562 13 I 3.6306 7.1254 120.5039 64.0954 36.9214 177.9862 14 W 4.1397 8.2117 128.5884 60.5320 30.5567 176.7915 15 R 3.5966 8.1808 114.8144 55.8177 29.6607 175.9601 16 G 3.8574 8.0002 104.3711 47.1927 0.0000 173.4299 17 T 4.6956 7.3258 107.2602 59.5825 71.7856 172.2474 18 Y 4.8114 7.9664 118.7826 56.3752 41.2782 176.2188 19 G 4.1314 7.8154 107.6084 46.2153 0.0000 175.4144 20 K 3.9481 9.2508 121.2063 59.4171 32.4544 177.8151 21 Y 4.5429 7.8574 114.1648 57.5463 38.2183 175.8932 22 R 4.6754 7.2954 113.6606 55.6061 32.5727 171.6548 23 P 4.5599 0.0000 0.0000 62.4529 32.9874 177.9472 24 R 3.9159 8.1455 119.7606 55.8440 28.2381 176.2032 25 K 3.4701 7.7042 124.7507 56.4680 33.0347 175.4492 *26 K 4.1330 8.3543 119.7488 54.7538 32.3269 173.6834 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 2 G 8.21 3.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 K 8.33 4.26 0.00 1.28 1.53 0.00 1.43 0.00 0.00 1.61 0.00 0.00 2.90 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.36 1.35 7.81 4 G 8.36 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 0.00 0.00 0.00 5 D 7.92 4.41 0.00 2.62 2.52 0.00 0.00 0.00 0.00 0.00 0.00 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 R 8.70 3.98 0.00 1.86 1.97 0.00 3.17 0.00 0.00 3.35 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 1.69 0.00 7 R 7.77 3.94 0.00 1.52 0.92 0.00 2.94 0.00 0.00 3.06 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 1.37 0.00 8 T 7.38 4.75 4.23 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 1.15 0.00 0.00 9 R 8.48 4.05 0.00 2.00 2.00 0.00 3.25 0.00 0.00 3.38 7.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.80 0.00 10 R 7.89 4.26 0.00 1.88 1.94 0.00 3.16 0.00 0.00 3.32 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.69 0.00 11 G 7.96 4.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 12 K 7.72 4.27 0.00 2.18 1.76 0.00 1.55 0.00 0.00 1.87 0.00 0.00 3.15 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.43 1.70 7.81 13 I 7.13 3.63 2.02 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.67 0.93 0.00 0.00 14 W 8.21 4.14 0.00 3.17 3.25 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 0.00 15 R 8.18 3.60 0.00 2.08 1.90 0.00 3.68 0.00 0.00 3.31 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.41 0.00 16 G 8.00 3.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 17 T 7.33 4.70 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 1.23 0.00 0.00 18 Y 7.97 4.81 0.00 2.91 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 19 G 7.82 4.13 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 0.00 0.00 0.00 20 K 9.25 3.95 0.00 1.75 1.97 0.00 1.73 0.00 0.00 1.68 0.00 0.00 2.35 0.00 0.00 2.82 0.00 0.00 0.00 0.00 0.91 1.30 7.81 21 Y 7.86 4.54 0.00 2.95 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 22 R 7.30 4.68 0.00 1.87 1.80 0.00 2.91 0.00 0.00 2.70 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.49 0.00 23 P 0.00 4.56 0.00 2.10 1.99 0.00 3.78 0.00 0.00 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.22 0.00 24 R 8.15 3.92 0.00 1.64 1.71 0.00 3.27 0.00 0.00 3.00 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.81 0.00 25 K 7.70 3.47 0.00 1.84 1.76 0.00 1.81 0.00 0.00 1.74 0.00 0.00 3.02 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.33 1.42 7.81 *26 K 8.35 4.13 0.00 1.56 1.61 0.00 1.66 0.00 0.00 1.74 0.00 0.00 3.15 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.26 1.50 7.81 * Residues marked with a * may have inaccurate shift predictions.