NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 R 4.3374 8.1133 119.7066 55.9308 32.3768 176.5662 2 M 4.1336 7.7693 118.6498 55.0706 32.0566 176.6946 3 K 4.0276 8.1069 119.4726 59.8165 33.7672 178.4570 4 Q 3.9489 8.0874 120.2132 58.6645 28.7684 178.4868 5 I 3.7229 7.1100 117.7507 64.3565 37.3305 177.6612 6 E 3.9090 7.9627 119.5950 59.5353 29.3121 178.6627 7 D 4.3580 8.4851 119.1284 57.2884 40.8203 178.8755 8 K 3.9670 7.9134 118.4379 59.5164 31.9844 179.3975 9 L 3.9680 8.1413 119.3696 57.8198 41.6506 179.2586 10 E 3.9427 8.2746 119.3244 59.0299 29.5201 178.5460 11 E 3.9660 8.1419 119.6445 59.1387 29.7231 178.6542 12 I 3.6777 7.9863 120.1117 64.5529 37.1268 178.3487 13 L 3.9104 8.1773 119.8223 57.9221 41.4201 179.7901 14 S 4.3572 8.1027 114.7111 61.5517 62.6697 176.8410 15 K 4.0058 8.0979 121.1744 59.6129 31.7639 179.3931 16 L 3.9739 8.0066 119.1532 57.9173 41.4141 179.2175 17 Y 4.2138 8.2601 117.0891 61.3469 37.7570 178.0220 18 H 4.2373 8.3714 119.2688 59.2928 30.1010 177.3778 19 I 3.8181 8.1910 122.1083 64.2418 36.9959 178.0024 20 E 3.9386 8.4250 120.3046 59.4809 29.5124 178.7092 21 N 4.4069 8.4143 116.5600 56.2820 38.5480 177.2256 22 E 4.0486 8.3315 120.3750 59.3781 29.5404 179.6263 23 G 3.6363 8.1180 105.0671 47.1478 0.0000 175.8004 24 A 3.9987 7.7712 122.6762 55.2298 18.3962 179.8309 25 R 3.8322 7.9070 116.4662 59.5745 30.0468 179.1080 26 I 3.6750 7.7240 119.4708 64.5224 37.1065 178.6023 27 K 3.9608 8.1428 118.8306 59.4611 31.7246 179.2330 28 K 3.8492 7.7077 117.1409 59.8124 32.1436 178.8132 29 L 4.0372 7.8636 118.1587 58.1022 41.5855 178.3659 30 L 4.4086 7.5986 119.0737 56.0305 42.5223 177.3601 31 G 3.4705 9.2387 112.1853 47.2840 0.0000 174.0007 *32 E 4.1319 8.2606 120.1571 55.4489 30.4399 178.0665 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 R 8.11 4.34 0.00 1.86 2.03 0.00 3.25 0.00 0.00 3.34 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.61 0.00 2 M 7.77 4.13 0.00 2.10 2.10 0.00 0.00 0.00 0.00 0.00 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.66 2.60 0.00 3 K 8.11 4.03 0.00 2.03 2.06 0.00 1.40 0.00 0.00 1.74 0.00 0.00 2.97 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.48 1.55 7.81 4 Q 8.09 3.95 0.00 2.11 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.97 0.00 0.00 0.00 0.00 0.00 2.43 2.40 0.00 5 I 7.11 3.72 2.05 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 1.41 0.61 0.91 0.00 0.00 6 E 7.96 3.91 0.00 2.05 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 2.32 2.37 0.00 7 D 8.49 4.36 0.00 2.87 2.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8 K 7.91 3.97 0.00 1.97 1.86 0.00 1.69 0.00 0.00 1.65 0.00 0.00 3.00 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.76 1.66 7.81 9 L 8.14 3.97 0.00 1.84 1.72 0.92 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 0.00 0.00 0.00 0.00 0.00 0.00 10 E 8.27 3.94 0.00 2.30 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 2.33 2.39 0.00 11 E 8.14 3.97 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 2.31 2.36 0.00 12 I 7.99 3.68 2.04 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 1.52 0.64 0.89 0.00 0.00 13 L 8.18 3.91 0.00 1.96 1.79 0.99 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 14 S 8.10 4.36 0.00 4.08 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 15 K 8.10 4.01 0.00 1.98 1.88 0.00 1.70 0.00 0.00 1.66 0.00 0.00 2.95 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.65 1.64 7.81 16 L 8.01 3.97 0.00 1.69 1.56 0.84 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 17 Y 8.26 4.21 0.00 3.18 2.90 0.00 0.00 0.00 0.00 0.00 0.00 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 H 8.37 4.24 0.00 3.32 3.55 0.00 5.79 0.00 0.00 0.00 0.00 6.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19 I 8.19 3.82 1.98 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 1.10 0.90 0.00 0.00 20 E 8.43 3.94 0.00 2.38 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.33 2.35 0.00 21 N 8.41 4.41 0.00 2.94 2.85 0.00 0.00 7.07 7.18 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 22 E 8.33 4.05 0.00 2.15 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 2.25 2.22 0.00 23 G 8.12 3.64 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 0.00 0.00 0.00 24 A 7.77 4.00 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 25 R 7.91 3.83 0.00 2.01 1.99 0.00 3.15 0.00 0.00 3.17 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.67 0.00 26 I 7.72 3.68 2.00 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.38 0.91 0.00 0.00 27 K 8.14 3.96 0.00 1.98 1.85 0.00 1.68 0.00 0.00 1.65 0.00 0.00 2.97 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.46 1.64 7.81 28 K 7.71 3.85 0.00 1.86 1.88 0.00 1.74 0.00 0.00 1.70 0.00 0.00 3.02 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.48 1.50 7.81 29 L 7.86 4.04 0.00 1.67 1.77 0.92 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 30 L 7.60 4.41 0.00 1.77 1.73 0.92 1.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.00 0.00 0.00 0.00 0.00 0.00 31 G 9.24 3.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *32 E 8.26 4.13 0.00 1.75 1.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.37 0.00 * Residues marked with a * may have inaccurate shift predictions.