NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 A 4.1356 8.1185 123.5820 52.1362 20.4867 178.6857 *3 A 4.2723 8.0408 124.4735 53.9073 20.7890 179.7830 4 E 3.9476 8.1538 114.6404 59.5004 29.4358 179.3335 5 A 3.9793 8.3038 120.7529 54.9995 18.3805 179.5439 6 A 3.9171 7.9291 118.8983 55.1614 18.4611 179.2815 7 E 3.8656 8.4729 118.0759 59.4197 29.7067 179.1747 8 K 3.9556 8.2294 118.2893 59.3792 32.0877 179.1325 9 A 3.9817 8.2667 120.8796 55.1943 18.2494 179.5709 10 A 3.9830 8.2475 119.3746 55.2563 18.4061 179.9820 11 K 3.9112 8.3371 117.1826 59.6810 32.0813 178.9000 12 Y 3.9243 8.3523 119.6561 60.6583 38.6821 177.9700 13 A 4.0224 8.4003 121.5067 55.1515 18.3967 179.4518 14 A 3.9095 8.3028 119.4694 55.3732 18.4477 179.7652 15 E 3.8080 8.3289 116.9685 59.4122 29.5191 179.4778 16 A 3.8095 7.9334 120.6566 54.9914 18.3287 179.6002 17 A 3.9135 8.1734 119.5111 55.1356 18.4007 179.4085 18 E 3.8391 8.3785 118.0898 59.4313 29.6575 179.1992 19 K 3.8964 8.1834 118.2705 59.3529 31.8596 179.1514 20 A 3.9372 7.8288 119.7724 55.0809 18.3910 179.1712 21 A 4.0793 8.0479 118.4131 55.2541 18.5287 179.7210 22 K 4.0936 8.0338 115.6881 59.2776 32.2994 181.1368 23 A 4.1164 7.8751 120.2715 51.6841 18.4273 177.2147 *25 A 4.0524 8.0865 129.6758 54.0321 19.0373 177.5811 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 1 A 8.12 4.14 1.31 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 *3 A 8.04 4.27 1.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 4 E 8.15 3.95 0.00 2.12 2.01 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 2.40 2.32 0.00 5 A 8.30 3.98 1.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 A 7.93 3.92 1.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7 E 8.47 3.87 0.00 2.11 2.13 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 2.32 2.36 0.00 8 K 8.23 3.96 0.00 1.98 1.86 0.00 1.73 0.00 0.00 1.66 0.00 0.00 2.96 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.48 1.57 7.81 9 A 8.27 3.98 1.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 10 A 8.25 3.98 1.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 11 K 8.34 3.91 0.00 2.01 1.91 0.00 1.70 0.00 0.00 1.59 0.00 0.00 2.90 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.48 1.62 7.81 12 Y 8.35 3.92 0.00 3.10 3.13 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 13 A 8.40 4.02 1.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 14 A 8.30 3.91 1.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 E 8.33 3.81 0.00 1.93 1.86 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 2.49 2.41 0.00 16 A 7.93 3.81 1.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 A 8.17 3.91 1.35 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 0.00 0.00 18 E 8.38 3.84 0.00 2.07 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.28 2.33 0.00 19 K 8.18 3.90 0.00 1.95 1.80 0.00 1.63 0.00 0.00 1.60 0.00 0.00 2.91 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.42 1.51 7.81 20 A 7.83 3.94 1.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 21 A 8.05 4.08 1.35 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 0.00 0.00 22 K 8.03 4.09 0.00 1.87 1.87 0.00 1.70 0.00 0.00 1.69 0.00 0.00 3.02 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.46 1.56 7.81 23 A 7.88 4.12 1.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *25 A 8.09 4.05 1.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.