NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 A 4.1368 8.1185 123.5823 52.1446 20.5715 178.1818 *3 A 4.2966 7.9363 123.7086 53.6114 20.7128 179.7189 4 E 3.9469 8.1575 114.6330 59.4510 29.5210 179.3223 5 A 3.9853 8.1116 120.6169 55.0978 18.4566 179.5566 6 A 3.9602 7.9382 118.8738 55.2210 18.4961 179.3002 7 E 3.9199 8.4606 118.0581 59.3154 29.7198 179.1998 8 K 3.9837 8.2152 118.3215 59.3441 32.1392 179.1714 9 A 4.0457 8.1807 120.7441 55.2487 18.3239 179.5494 10 A 3.9989 8.4947 119.7144 55.2030 18.3717 179.9791 11 K 3.9227 8.5765 117.4873 59.6734 32.0493 178.8237 12 Y 4.0889 8.2352 119.5165 60.7998 38.7113 178.1026 13 A 3.6687 8.2003 121.3621 54.9924 18.4202 179.4671 14 A 3.9231 8.3657 119.7352 55.3386 18.4231 179.7870 15 E 3.8582 8.3455 117.0241 59.2216 29.5137 179.4000 16 A 3.7816 7.8998 120.8423 55.0530 18.3444 179.4829 17 A 3.8857 8.1940 119.7201 55.2441 18.4091 179.4514 18 E 3.8311 8.2572 117.7946 59.4137 29.6333 179.2694 19 K 3.9933 8.2168 118.3526 59.2202 31.8526 179.1473 20 A 3.9355 7.8168 119.9514 55.1592 18.3941 179.1856 21 A 4.0736 7.9834 118.1871 55.3782 18.5367 179.7770 22 K 4.1151 8.3588 116.1019 59.0938 32.1549 180.0632 23 A 4.1316 7.8912 120.1727 51.9420 18.4289 177.2035 *25 A 4.0514 8.0774 129.6108 54.0749 19.0372 177.6090 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 7.94 4.30 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 8.16 3.95 0.00 2.17 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 8.11 3.99 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 7.94 3.96 1.37 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 0.00 0.00 0.00 7 E 8.46 3.92 0.00 2.13 2.12 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 2.32 2.36 0.00 8 K 8.22 3.98 0.00 2.02 1.86 0.00 1.72 0.00 0.00 1.65 0.00 0.00 3.09 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.47 1.57 7.81 9 A 8.18 4.05 1.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 8.49 4.00 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 11 K 8.58 3.92 0.00 2.05 1.91 0.00 1.70 0.00 0.00 1.59 0.00 0.00 2.91 0.00 0.00 3.15 0.00 0.00 0.00 0.00 1.47 1.60 7.81 12 Y 8.24 4.09 0.00 2.99 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 13 A 8.20 3.67 1.36 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 0.00 0.00 14 A 8.37 3.92 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 15 E 8.35 3.86 0.00 2.04 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.45 2.48 0.00 16 A 7.90 3.78 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 8.19 3.89 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 18 E 8.26 3.83 0.00 2.09 2.08 0.00 0.00 0.00 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 8.22 3.99 0.00 1.94 1.82 0.00 1.69 0.00 0.00 1.63 0.00 0.00 2.95 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.44 1.52 7.81 20 A 7.82 3.94 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 21 A 7.98 4.07 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 22 K 8.36 4.12 0.00 1.81 1.88 0.00 1.70 0.00 0.00 1.70 0.00 0.00 3.02 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.46 1.59 7.81 23 A 7.89 4.13 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 8.08 4.05 1.30 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 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.