NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 G 3.8193 8.2133 109.7196 45.2704 0.0000 175.2133 3 K 3.5827 8.6149 123.7869 57.4109 32.2303 175.3224 4 G 3.7248 8.8562 106.9192 44.5800 0.0000 172.0698 5 D 4.4543 7.8366 120.7379 52.8602 41.0967 176.2436 6 R 3.8268 8.6530 127.6137 59.8688 30.5729 177.2872 7 R 3.7446 7.4617 114.2454 54.4820 28.2316 175.3223 8 T 4.5949 6.8895 117.2933 61.6899 74.6021 174.3964 9 R 3.9508 8.4747 121.5566 59.7761 30.2506 178.5530 10 R 4.0793 8.0932 117.3727 59.2603 30.1239 178.9335 11 G 4.3124 8.0776 106.1335 47.2635 0.0000 175.3417 12 K 3.9968 8.2499 122.6655 59.8078 32.0034 177.9636 13 I 3.6324 8.5951 120.4661 62.9215 36.5651 177.9397 14 W 4.2786 8.5020 132.9788 60.8437 31.0730 177.6182 15 R 3.7247 8.1805 115.3436 56.0564 29.6575 176.1464 16 G 3.7057 10.0278 104.3216 47.3799 0.0000 173.2682 17 T 4.5598 7.9331 110.2424 59.4652 71.4646 172.2211 18 Y 5.0521 8.6690 117.0969 55.9251 42.3413 176.1764 19 G 3.9313 8.5887 107.4496 45.8619 0.0000 172.3098 20 K 3.6243 8.6538 120.2171 59.9396 31.9221 178.6747 21 Y 4.1336 7.6750 113.9777 59.8598 38.2543 175.3880 22 R 4.5233 8.0739 119.4727 53.5233 31.1144 171.6853 23 P 4.7323 0.0000 0.0000 61.9801 32.2898 177.7051 24 R 3.6858 8.2568 120.9307 56.2779 28.2083 177.0793 25 K 3.4440 8.1791 125.4342 56.5730 31.6895 176.3883 *26 K 4.1215 8.3519 118.5818 55.1464 32.3269 172.8612 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 3.82 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 3 K 8.61 3.58 0.00 1.29 1.03 0.00 1.73 0.00 0.00 1.74 0.00 0.00 2.73 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.37 1.35 7.81 4 G 8.86 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 7.84 4.45 0.00 2.60 2.48 0.00 0.00 0.00 0.00 0.00 0.00 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 8.65 3.83 0.00 1.81 1.95 0.00 3.34 0.00 0.00 3.30 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.70 0.00 7 R 7.46 3.74 0.00 0.67 1.38 0.00 2.91 0.00 0.00 2.96 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 1.28 0.00 8 T 6.89 4.59 4.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 9 R 8.47 3.95 0.00 1.97 1.95 0.00 3.48 0.00 0.00 3.40 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.83 0.00 10 R 8.09 4.08 0.00 1.89 2.00 0.00 3.18 0.00 0.00 3.34 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.72 0.00 11 G 8.08 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 8.25 4.00 0.00 2.25 1.82 0.00 1.61 0.00 0.00 1.88 0.00 0.00 3.22 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.53 1.56 7.81 13 I 8.60 3.63 2.10 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.91 0.94 0.00 0.00 14 W 8.50 4.28 0.00 3.26 3.35 0.00 0.00 0.00 0.00 0.00 0.00 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 3.72 0.00 2.16 1.99 0.00 3.61 0.00 0.00 3.32 7.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.55 0.00 16 G 10.03 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 17 T 7.93 4.56 4.24 0.00 0.00 0.00 0.00 0.00 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 18 Y 8.67 5.05 0.00 2.95 2.85 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 19 G 8.59 3.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 8.65 3.62 0.00 1.53 1.47 0.00 1.58 0.00 0.00 1.27 0.00 0.00 2.67 0.00 0.00 2.85 0.00 0.00 0.00 0.00 0.56 1.19 7.81 21 Y 7.68 4.13 0.00 3.12 3.09 0.00 0.00 0.00 0.00 0.00 0.00 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 8.07 4.52 0.00 1.90 1.90 0.00 3.01 0.00 0.00 3.15 7.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.64 0.00 23 P 0.00 4.73 0.00 2.21 2.03 0.00 3.89 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 2.01 2.00 0.00 24 R 8.26 3.69 0.00 1.57 1.65 0.00 3.07 0.00 0.00 2.83 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 0.78 0.00 25 K 8.18 3.44 0.00 1.80 1.78 0.00 1.78 0.00 0.00 1.74 0.00 0.00 3.00 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.33 1.32 7.81 *26 K 8.35 4.12 0.00 1.52 1.62 0.00 1.61 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.