NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 G 3.8402 8.2133 109.7201 45.1446 0.0000 173.5562 3 K 3.3050 8.4352 117.3698 59.0387 32.0193 177.4134 4 G 3.2099 7.5904 106.8461 47.6569 0.0000 172.9986 5 D 4.4661 7.7570 119.0140 54.6888 41.6385 175.8573 6 R 4.4635 8.3141 119.1360 57.0584 31.9487 177.5246 7 R 4.0698 8.8845 114.8421 56.3254 30.6568 176.3383 8 T 4.4586 7.3725 109.3698 59.7227 70.2517 174.4015 9 R 4.0468 7.9370 122.4384 57.9290 30.4468 178.1524 10 R 3.9570 8.6238 115.6770 59.6122 31.4267 177.8922 11 G 4.2272 7.7046 105.3736 42.5154 0.0000 171.3973 12 K 4.4399 7.4135 122.4031 57.4174 38.8532 176.9999 13 I 3.7046 7.6695 118.0020 63.7167 37.5066 176.9543 14 W 4.2335 8.4510 129.2294 60.5316 30.6457 177.0951 15 R 3.9444 8.3331 116.7955 60.0809 29.6036 178.2677 16 G 4.1958 8.4361 106.0137 45.8780 0.0000 173.0266 17 T 4.8312 7.6756 107.4725 59.6149 71.8580 171.5893 18 Y 4.7653 9.5398 118.5910 56.0926 41.9511 174.6625 19 G 3.9846 8.5635 106.4076 45.4233 0.0000 172.3848 20 K 3.9624 8.7978 120.6382 60.1158 31.8485 178.3182 21 Y 4.0123 8.4851 113.0119 59.6241 38.0967 175.9549 22 R 4.4032 8.9550 121.3345 54.3860 31.7088 172.1472 23 P 5.1519 0.0000 0.0000 61.6015 33.0451 176.5902 24 R 4.4745 7.7963 118.6365 54.3535 30.2673 175.4365 25 K 3.8541 8.1389 124.7110 55.9488 32.8626 176.4781 *26 K 4.1330 8.3691 121.1125 54.7849 32.3269 175.4364 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 8.44 3.31 0.00 1.13 0.74 0.00 1.40 0.00 0.00 1.66 0.00 0.00 2.90 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.31 1.26 7.81 4 G 7.59 3.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 7.76 4.47 0.00 2.66 2.64 0.00 0.00 0.00 0.00 0.00 0.00 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 8.31 4.46 0.00 1.75 1.89 0.00 3.22 0.00 0.00 3.23 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.60 0.00 7 R 8.88 4.07 0.00 1.74 1.81 0.00 3.09 0.00 0.00 2.98 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 1.38 0.00 8 T 7.37 4.46 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 1.31 0.00 0.00 9 R 7.94 4.05 0.00 1.92 1.78 0.00 3.26 0.00 0.00 3.33 7.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.72 0.00 10 R 8.62 3.96 0.00 1.88 2.00 0.00 3.15 0.00 0.00 3.32 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.67 0.00 11 G 7.70 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 7.41 4.44 0.00 2.16 1.79 0.00 1.59 0.00 0.00 1.95 0.00 0.00 3.01 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.31 1.59 7.81 13 I 7.67 3.70 1.91 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.09 0.83 0.90 0.00 0.00 14 W 8.45 4.23 0.00 3.28 3.29 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 15 R 8.33 3.94 0.00 2.01 2.12 0.00 3.48 0.00 0.00 3.40 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.73 0.00 16 G 8.44 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 17 T 7.68 4.83 4.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.00 0.00 18 Y 9.54 4.77 0.00 2.87 3.10 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 0.00 0.00 0.00 19 G 8.56 3.98 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 0.00 0.00 0.00 20 K 8.80 3.96 0.00 1.87 2.24 0.00 1.92 0.00 0.00 2.09 0.00 0.00 2.90 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.37 1.53 7.81 21 Y 8.49 4.01 0.00 2.95 3.15 0.00 0.00 0.00 0.00 0.00 0.00 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 8.95 4.40 0.00 1.72 1.86 0.00 2.68 0.00 0.00 2.52 7.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 1.46 0.00 23 P 0.00 5.15 0.00 2.13 2.00 0.00 3.72 0.00 0.00 3.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 2.27 0.00 24 R 7.80 4.47 0.00 1.66 1.78 0.00 3.39 0.00 0.00 3.07 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.92 1.68 0.00 25 K 8.14 3.85 0.00 1.90 1.85 0.00 1.81 0.00 0.00 1.74 0.00 0.00 2.91 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.31 1.43 7.81 *26 K 8.37 4.13 0.00 1.56 1.61 0.00 1.66 0.00 0.00 1.74 0.00 0.00 3.02 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.