NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 G 3.8391 8.2133 109.7206 45.4566 0.0000 175.2702 3 K 3.7261 8.5984 121.5613 57.1230 31.6943 175.6925 4 G 3.4894 8.1965 109.4209 45.8064 0.0000 173.3931 5 D 4.3915 7.5835 119.3264 53.4171 40.6815 176.4240 6 R 3.9760 8.4954 127.3159 59.3836 30.2554 178.4605 7 R 3.5006 7.4841 115.8449 56.3367 30.1066 175.9048 8 T 4.7020 7.4522 107.1058 58.9473 72.2697 174.9518 9 R 4.0736 8.6147 120.7067 59.8644 30.1040 178.5149 10 R 4.0510 8.1137 117.5351 59.0924 30.0657 179.0033 11 G 4.2322 7.8524 106.3646 47.2179 0.0000 175.8395 12 K 4.0069 7.6977 119.3138 59.1292 32.3571 178.9762 13 I 3.7513 7.8864 120.1962 64.3454 36.8661 177.7636 14 W 4.2020 8.5866 127.5894 60.9361 30.6013 177.6516 15 R 4.0802 8.2085 114.0764 56.4784 29.4841 177.0363 16 G 4.1209 8.1266 112.7080 45.9048 0.0000 174.3458 17 T 3.8964 7.4305 107.6433 61.8753 68.5445 171.3873 18 Y 4.9655 8.5537 117.4245 56.0255 42.4662 175.3560 19 G 3.8700 9.0212 106.6904 45.7401 0.0000 171.9424 20 K 3.5999 8.3962 119.9301 60.3917 31.9846 178.4831 21 Y 4.1601 7.5200 113.9470 59.4299 37.9784 177.0677 22 R 4.5243 8.0834 119.8574 55.3518 31.5369 171.7398 23 P 4.8245 0.0000 0.0000 61.7822 32.7087 176.9227 24 R 3.8770 8.1544 119.8798 56.0792 29.5634 176.8455 25 K 3.6539 7.7108 121.4736 56.1605 31.8825 177.1407 *26 K 4.1215 8.3747 119.2008 55.0924 32.3269 173.8186 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 8.60 3.73 0.00 1.44 1.01 0.00 1.90 0.00 0.00 1.87 0.00 0.00 2.95 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.53 1.46 7.81 4 G 8.20 3.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 7.58 4.39 0.00 2.59 2.50 0.00 0.00 0.00 0.00 0.00 0.00 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 8.50 3.98 0.00 1.86 1.97 0.00 3.18 0.00 0.00 3.36 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.65 0.00 7 R 7.48 3.50 0.00 1.55 0.99 0.00 2.84 0.00 0.00 3.11 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 1.35 0.00 8 T 7.45 4.70 4.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.00 0.00 9 R 8.61 4.07 0.00 1.96 2.00 0.00 3.24 0.00 0.00 3.38 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.78 0.00 10 R 8.11 4.05 0.00 1.89 1.99 0.00 3.19 0.00 0.00 3.35 7.57 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 7.85 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 0.00 0.00 0.00 0.00 12 K 7.70 4.01 0.00 2.06 1.87 0.00 1.65 0.00 0.00 2.05 0.00 0.00 3.34 0.00 0.00 3.15 0.00 0.00 0.00 0.00 1.58 1.56 7.81 13 I 7.89 3.75 2.07 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 1.40 0.93 0.92 0.00 0.00 14 W 8.59 4.20 0.00 3.31 3.43 0.00 0.00 0.00 0.00 0.00 0.00 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 8.21 4.08 0.00 1.92 2.03 0.00 3.42 0.00 0.00 3.34 7.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.33 2.22 0.00 16 G 8.13 4.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 7.43 3.90 4.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.00 0.00 18 Y 8.55 4.97 0.00 2.94 2.93 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 19 G 9.02 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 0.00 0.00 0.00 20 K 8.40 3.60 0.00 1.57 1.46 0.00 1.63 0.00 0.00 1.30 0.00 0.00 2.67 0.00 0.00 2.86 0.00 0.00 0.00 0.00 0.72 1.23 7.81 21 Y 7.52 4.16 0.00 3.10 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 8.08 4.52 0.00 1.87 1.87 0.00 2.99 0.00 0.00 3.05 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.65 0.00 23 P 0.00 4.82 0.00 2.09 1.95 0.00 3.78 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.28 0.00 24 R 8.15 3.88 0.00 1.57 1.54 0.00 3.18 0.00 0.00 2.96 7.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 1.16 0.00 25 K 7.71 3.65 0.00 1.86 1.81 0.00 1.77 0.00 0.00 1.74 0.00 0.00 3.02 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.34 1.42 7.81 *26 K 8.37 4.12 0.00 1.52 1.62 0.00 1.61 0.00 0.00 1.74 0.00 0.00 3.12 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.