NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 G 3.8446 8.2133 109.7223 44.9121 0.0000 174.9043 3 K 3.7859 8.3031 114.5294 56.2259 31.3206 176.5153 4 G 3.7427 9.4420 105.7174 44.7349 0.0000 173.2213 5 D 4.4178 7.6512 119.9493 53.4825 39.7713 176.3754 6 R 4.2077 8.3529 121.6172 57.2114 29.9559 177.3824 7 R 4.0315 7.1970 117.3017 55.1743 30.9965 174.9188 8 T 4.4964 7.3305 107.8495 60.0010 70.6789 172.3474 9 R 4.0525 7.9903 119.4160 59.2437 29.8807 178.9680 10 R 4.1559 8.0512 119.1101 58.8021 30.2974 178.9381 11 G 4.2890 7.6255 106.4904 47.1334 0.0000 175.0902 12 K 4.2914 8.1661 119.8511 58.1959 32.3239 178.7924 13 I 3.6247 7.6982 119.7298 64.5160 36.8682 177.9979 14 W 4.0630 8.4566 128.7365 60.1061 30.5793 177.8647 15 R 3.9310 7.3697 118.3636 57.8096 29.7031 177.4641 16 G 3.7501 9.5548 105.5615 45.6396 0.0000 172.3279 17 T 4.6500 7.2525 108.3521 59.5286 72.0086 172.0652 18 Y 4.8218 8.2651 117.3152 56.6439 41.7994 175.4287 19 G 4.1992 8.4155 109.5859 44.8430 0.0000 173.0430 20 K 3.8004 8.9471 119.4118 59.5148 32.0203 177.4651 21 Y 4.4413 7.9329 114.0968 57.1652 38.0807 175.7026 22 R 4.7522 8.1379 116.6464 55.7074 32.7128 171.8608 23 P 4.4286 0.0000 0.0000 62.4789 32.5149 178.2518 24 R 3.8354 8.1607 119.7097 56.3627 28.0066 177.0943 25 K 3.3131 8.1797 125.6221 57.0426 32.6716 175.5087 *26 K 4.1330 8.3295 119.0705 54.7716 32.3269 172.6396 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 3.84 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 3 K 8.30 3.79 0.00 1.17 1.08 0.00 1.54 0.00 0.00 1.78 0.00 0.00 2.99 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.40 1.35 7.81 4 G 9.44 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 7.65 4.42 0.00 2.79 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 8.35 4.21 0.00 1.78 1.93 0.00 3.19 0.00 0.00 3.24 7.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.83 0.00 7 R 7.20 4.03 0.00 1.23 0.88 0.00 2.96 0.00 0.00 2.99 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.07 1.27 0.00 8 T 7.33 4.50 4.25 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 1.19 0.00 0.00 9 R 7.99 4.05 0.00 1.98 1.84 0.00 3.27 0.00 0.00 3.38 8.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.81 0.00 10 R 8.05 4.16 0.00 1.90 2.02 0.00 3.19 0.00 0.00 3.35 7.64 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 7.63 4.29 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 0.00 12 K 8.17 4.29 0.00 1.85 1.89 0.00 1.59 0.00 0.00 1.83 0.00 0.00 3.07 0.00 0.00 3.15 0.00 0.00 0.00 0.00 1.42 1.49 7.81 13 I 7.70 3.62 2.06 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.06 0.94 0.00 0.00 14 W 8.46 4.06 0.00 3.25 3.36 0.00 0.00 0.00 0.00 0.00 0.00 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 7.37 3.93 0.00 2.16 2.02 0.00 3.53 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 1.65 1.65 0.00 16 G 9.55 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 7.25 4.65 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 8.27 4.82 0.00 2.93 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 19 G 8.42 4.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 8.95 3.80 0.00 1.72 1.89 0.00 1.70 0.00 0.00 1.53 0.00 0.00 2.45 0.00 0.00 2.91 0.00 0.00 0.00 0.00 0.97 1.33 7.81 21 Y 7.93 4.44 0.00 2.99 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 22 R 8.14 4.75 0.00 1.84 1.87 0.00 3.02 0.00 0.00 3.11 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.52 0.00 23 P 0.00 4.43 0.00 2.09 1.98 0.00 3.76 0.00 0.00 3.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.23 0.00 24 R 8.16 3.84 0.00 1.62 1.63 0.00 3.12 0.00 0.00 2.75 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 1.23 0.00 25 K 8.18 3.31 0.00 1.80 1.73 0.00 1.80 0.00 0.00 1.73 0.00 0.00 3.00 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.33 1.41 7.81 *26 K 8.33 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.