NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 Q 4.3282 8.3293 121.7110 56.0513 30.2299 174.3838 3 V 4.2644 8.0751 122.3597 59.8732 34.1633 169.4037 4 V 4.3095 8.4632 117.1623 59.4184 34.8928 176.5075 5 R 4.4321 8.1527 121.6991 54.5314 30.9779 175.4710 6 T 3.8330 8.3970 121.9731 63.8769 69.0383 173.8997 7 K 4.3909 8.2394 124.1526 54.4128 33.7356 175.3966 8 N 4.6107 8.6689 124.8098 52.8038 39.2074 175.4219 9 V 4.3414 8.0350 121.5580 60.1012 34.2230 174.9253 10 T 4.2754 8.4312 120.9650 61.9656 68.6460 174.5063 11 L 4.1398 8.3971 127.6000 54.8216 41.8117 177.7509 12 K 4.5112 8.8424 123.7004 55.4164 34.0744 173.7619 13 P 5.2927 0.0000 0.0000 62.3378 32.0353 176.0608 *15 D 4.6821 8.8289 122.6730 51.5018 41.5451 173.6008 16 V 4.0350 6.7136 127.7298 60.6001 32.7702 173.0889 17 E 3.7003 7.2204 118.9803 58.7530 29.4409 178.9268 18 E 3.7270 8.0097 117.7167 59.7568 29.6036 179.2185 19 A 3.3980 7.2232 118.4754 55.0512 18.2599 179.3181 20 R 3.8613 8.2437 117.4005 59.2076 30.4132 178.2513 21 L 4.0337 7.4771 119.6313 58.0492 41.8872 180.5939 22 Q 3.9851 7.6742 118.1226 55.6866 28.7664 178.7887 *24 E 4.2650 8.1768 120.1861 56.5848 31.5959 178.1449 25 L 3.9441 7.8665 117.0282 57.9688 41.6976 178.9700 26 L 4.0567 7.6643 115.9835 55.2700 42.4136 177.1218 27 G 3.9827 7.5557 106.8426 47.2156 0.0000 172.6161 28 H 4.5402 7.7471 112.9925 55.2078 31.8643 173.5202 29 D 4.6990 8.8120 117.3133 55.2078 37.8878 172.6615 30 F 5.1850 7.7888 110.8336 56.9381 40.3387 172.9505 31 F 4.5441 9.6144 121.8888 57.4250 43.1965 172.6045 32 I 5.0942 7.7862 127.2530 60.0469 38.7463 174.3625 33 Y 4.9616 8.6650 124.0855 56.3793 42.0248 173.2106 34 T 4.8327 8.5468 112.7932 60.4984 71.4640 172.5550 *41 T 4.2313 8.2879 114.8370 61.8530 70.7076 172.1002 42 N 5.3324 8.9345 119.8923 51.8792 44.1389 173.2910 43 I 5.1297 8.5318 119.4705 59.7843 40.9944 174.7340 44 L 5.0399 9.8142 130.8524 54.6379 43.7073 175.0626 45 Y 5.3320 8.3872 122.1405 55.9548 42.0535 173.9307 46 R 4.8408 8.4484 121.3007 54.5446 32.3934 177.2265 47 R 4.7580 8.1376 124.6049 56.3034 30.5939 176.0018 *49 D 4.3063 8.9940 110.0204 52.6416 40.3600 175.0379 50 G 4.0624 7.7214 112.6715 47.0846 0.0000 174.5755 51 N 4.5577 7.5716 117.3518 52.7812 39.3955 173.5408 52 L 4.5456 8.2438 120.3114 54.1807 42.2200 177.1073 53 G 3.7455 7.5832 111.2391 44.8328 0.0000 172.0788 54 L 5.1243 8.1157 120.9909 54.3054 44.7219 174.4922 55 I 4.5260 8.8057 127.9003 60.2241 39.3449 174.7220 56 E 5.0486 8.5367 124.0948 54.2765 32.5962 175.6533 57 A 4.2064 9.3791 126.5331 52.1766 18.1099 177.0804 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 Q 8.33 4.33 0.00 2.03 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.62 0.00 0.00 0.00 0.00 0.00 2.24 2.36 0.00 3 V 8.08 4.26 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 0.75 0.00 0.00 0.93 0.00 0.00 4 V 8.46 4.31 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 0.72 0.00 0.00 0.93 0.00 0.00 5 R 8.15 4.43 0.00 1.72 1.81 0.00 3.44 0.00 0.00 3.22 7.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.54 0.00 6 T 8.40 3.83 4.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.00 0.00 7 K 8.24 4.39 0.00 1.65 1.67 0.00 1.77 0.00 0.00 1.70 0.00 0.00 3.01 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.29 1.41 7.81 8 N 8.67 4.61 0.00 2.75 2.73 0.00 0.00 6.92 7.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 9 V 8.03 4.34 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.72 0.00 0.00 0.88 0.00 0.00 10 T 8.43 4.28 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 1.22 0.00 0.00 11 L 8.40 4.14 0.00 1.55 1.67 0.89 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 12 K 8.84 4.51 0.00 1.84 1.82 0.00 1.70 0.00 0.00 1.97 0.00 0.00 2.92 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.57 1.50 7.81 13 P 0.00 5.29 0.00 2.11 2.09 0.00 3.45 0.00 0.00 2.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 1.83 0.00 *15 D 8.83 4.68 0.00 2.75 2.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 16 V 6.71 4.03 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.60 0.00 0.00 0.94 0.00 0.00 17 E 7.22 3.70 0.00 1.93 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.38 2.31 0.00 18 E 8.01 3.73 0.00 1.97 1.87 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 2.30 2.30 0.00 19 A 7.22 3.40 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 R 8.24 3.86 0.00 1.68 2.00 0.00 3.22 0.00 0.00 3.09 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.58 0.00 21 L 7.48 4.03 0.00 1.69 1.89 0.85 0.82 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 22 Q 7.67 3.99 0.00 1.19 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.42 6.17 0.00 0.00 0.00 0.00 0.00 2.34 2.30 0.00 *24 E 8.18 4.27 0.00 2.18 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.26 2.42 0.00 25 L 7.87 3.94 0.00 1.60 1.73 0.94 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 0.00 0.00 0.00 0.00 0.00 0.00 26 L 7.66 4.06 0.00 1.70 1.77 1.11 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.19 0.00 0.00 0.00 0.00 0.00 0.00 27 G 7.56 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 28 H 7.75 4.54 0.00 3.01 3.02 0.00 5.83 0.00 0.00 0.00 0.00 7.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 29 D 8.81 4.70 0.00 3.16 2.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 30 F 7.79 5.18 0.00 3.01 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 31 F 9.61 4.54 0.00 3.07 3.05 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 0.00 0.00 0.00 32 I 7.79 5.09 1.78 0.00 0.00 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.97 0.94 0.00 0.00 33 Y 8.66 4.96 0.00 3.19 3.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 34 T 8.55 4.83 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 1.32 0.00 0.00 *41 T 8.29 4.23 4.24 0.00 0.00 0.00 0.00 0.00 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 42 N 8.93 5.33 0.00 2.16 2.79 0.00 0.00 6.93 5.12 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 43 I 8.53 5.13 1.93 0.00 0.00 0.81 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 0.68 1.16 0.00 0.00 44 L 9.81 5.04 0.00 2.06 1.85 1.02 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 45 Y 8.39 5.33 0.00 3.40 3.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46 R 8.45 4.84 0.00 1.86 1.98 0.00 3.26 0.00 0.00 3.17 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.57 0.00 47 R 8.14 4.76 0.00 2.11 0.91 0.00 3.34 0.00 0.00 3.49 7.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.66 0.00 *49 D 8.99 4.31 0.00 2.87 2.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 50 G 7.72 4.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 51 N 7.57 4.56 0.00 2.76 2.71 0.00 0.00 7.15 6.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 52 L 8.24 4.55 0.00 1.45 1.51 0.89 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 53 G 7.58 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54 L 8.12 5.12 0.00 1.67 1.58 1.11 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 55 I 8.81 4.53 1.92 0.00 0.00 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.82 0.89 0.00 0.00 56 E 8.54 5.05 0.00 1.79 1.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.19 2.30 0.00 57 A 9.38 4.21 1.20 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 * Residues marked with a * may have inaccurate shift predictions.