NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.2901 8.3044 120.3494 55.3258 33.4058 174.1678 2 Q 4.5046 8.2888 126.5183 53.9011 31.1546 172.7366 3 Y 4.7584 8.6872 121.4595 55.9430 41.9921 174.4818 4 K 4.7029 8.7493 124.2330 54.4353 35.1285 175.2034 5 V 4.4453 8.4696 124.7214 60.9195 34.0458 174.4026 6 I 4.3501 8.1813 126.4256 59.3197 39.4149 174.7856 7 L 4.3798 8.2071 125.1133 53.3585 43.2496 172.6294 8 N 3.8519 8.5964 126.5580 53.0586 38.8275 174.8921 *19 E 4.0243 8.4442 120.7475 56.1992 30.1123 173.9971 20 A 4.4328 7.7417 121.6636 50.6277 20.3061 177.2971 21 V 4.3433 7.9497 122.4114 60.2570 34.6169 175.0700 22 D 4.3720 8.6187 125.3980 54.1518 41.8707 176.7944 23 A 3.9452 8.6166 129.2590 55.2946 18.5764 178.8584 24 A 3.9346 8.0041 118.7932 55.6394 18.4226 179.8912 25 T 3.8299 8.1778 114.2034 66.6061 68.5267 176.6240 26 F 4.0893 8.0480 122.3174 61.4370 39.3729 176.7688 27 E 3.7350 8.4501 118.4976 59.2810 29.2317 179.3870 28 K 3.9611 8.1939 119.3631 59.5519 32.2562 178.7119 29 V 3.5721 8.1770 118.8384 66.2500 31.3712 178.2021 30 V 3.5771 7.7460 117.7210 65.7278 31.3598 177.8166 31 K 3.9646 8.5127 119.6906 59.5485 32.0476 178.2155 32 Q 3.9761 8.7082 120.1292 59.4235 28.7673 178.0390 33 F 3.9934 8.5177 121.7126 61.7104 39.2693 177.2650 34 F 3.8379 8.4155 117.0130 60.3238 38.7103 177.3534 35 N 4.4041 8.3235 116.2204 56.7001 38.2100 177.1154 36 D 4.5706 8.1919 118.9238 56.7829 40.8009 177.6998 37 N 4.6919 7.1514 114.9072 52.1032 38.9903 174.9259 38 G 3.8320 8.3856 108.0166 46.8366 0.0000 174.3709 39 V 4.3808 8.1883 118.7962 60.6225 34.0764 174.1531 40 D 4.8477 8.3217 126.6485 52.6388 42.5496 175.7835 41 G 3.7945 7.5319 109.8768 45.5415 0.0000 171.8911 42 E 4.5368 8.1494 118.0166 53.8282 33.4525 175.8847 43 W 4.3927 8.6305 120.4325 56.5181 28.9458 176.2986 44 T 4.7101 8.2232 120.2271 61.8437 70.1113 174.4245 45 Y 4.3586 8.4986 121.8565 57.8886 38.8785 174.9730 46 D 5.0367 8.4542 122.3017 52.4571 43.1315 176.3194 47 D 4.4387 8.5085 121.2431 53.9462 41.4370 176.5135 48 A 4.1988 8.5144 125.9627 53.0073 18.9323 177.0056 49 T 4.6835 8.1830 114.7633 61.7295 72.1379 173.9377 50 K 4.7150 8.6429 124.7862 54.8051 34.7733 175.6328 51 T 4.6332 8.1117 117.9209 61.4293 71.4973 173.7250 52 F 4.2700 8.8636 127.5199 58.2058 39.4924 174.5876 53 T 4.3214 7.6491 125.4081 61.4182 69.5497 174.9901 54 V 3.5899 7.9912 126.5808 62.9785 32.1627 176.8408 55 T 3.7790 8.2435 122.4262 64.3842 68.7814 174.4422 56 E 4.0964 7.4826 126.0874 56.7098 29.8970 174.0352 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 M 8.30 4.29 0.00 2.03 2.01 0.00 0.00 0.00 0.00 0.00 -0.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 2.30 0.00 2 Q 8.29 4.50 0.00 2.08 1.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.56 6.54 0.00 0.00 0.00 0.00 0.00 2.26 2.48 0.00 3 Y 8.69 4.76 0.00 3.04 2.89 0.00 0.00 0.00 0.00 0.00 0.00 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 K 8.75 4.70 0.00 1.71 1.68 0.00 1.74 0.00 0.00 1.67 0.00 0.00 2.89 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.33 1.44 7.81 5 V 8.47 4.45 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.61 0.00 0.00 1.12 0.00 0.00 6 I 8.18 4.35 1.82 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 1.39 0.77 0.86 0.00 0.00 7 L 8.21 4.38 0.00 1.39 1.41 0.32 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.00 0.00 0.00 0.00 0.00 0.00 0.00 8 N 8.60 3.85 0.00 2.80 2.77 0.00 0.00 7.16 7.66 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 *19 E 8.44 4.02 0.00 1.95 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 2.20 2.30 0.00 20 A 7.74 4.43 1.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 V 7.95 4.34 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.84 0.00 0.00 0.90 0.00 0.00 22 D 8.62 4.37 0.00 2.75 2.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 23 A 8.62 3.95 1.25 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 0.00 0.00 0.00 24 A 8.00 3.93 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 25 T 8.18 3.83 4.47 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 1.25 0.00 0.00 26 F 8.05 4.09 0.00 3.14 3.20 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 27 E 8.45 3.73 0.00 2.12 1.90 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 1.47 2.22 0.00 28 K 8.19 3.96 0.00 2.07 1.96 0.00 1.68 0.00 0.00 1.60 0.00 0.00 2.94 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.47 1.49 7.81 29 V 8.18 3.57 2.15 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 1.01 0.00 0.00 1.03 0.00 0.00 30 V 7.75 3.58 2.28 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 1.19 0.00 0.00 0.37 0.00 0.00 31 K 8.51 3.96 0.00 2.10 2.02 0.00 1.77 0.00 0.00 1.64 0.00 0.00 2.90 0.00 0.00 3.23 0.00 0.00 0.00 0.00 1.47 1.40 7.81 32 Q 8.71 3.98 0.00 2.30 2.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.20 6.49 0.00 0.00 0.00 0.00 0.00 2.39 2.61 0.00 33 F 8.52 3.99 0.00 3.11 3.16 0.00 0.00 0.00 0.00 0.00 0.00 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 F 8.42 3.84 0.00 3.28 3.20 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 35 N 8.32 4.40 0.00 2.95 2.86 0.00 0.00 7.02 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 36 D 8.19 4.57 0.00 2.53 2.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 37 N 7.15 4.69 0.00 2.35 2.58 0.00 0.00 7.00 7.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 38 G 8.39 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 39 V 8.19 4.38 2.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.84 0.00 0.00 1.05 0.00 0.00 40 D 8.32 4.85 0.00 2.66 2.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 41 G 7.53 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 42 E 8.15 4.54 0.00 1.87 1.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.15 2.23 0.00 43 W 8.63 4.39 0.00 3.24 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 44 T 8.22 4.71 4.28 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 1.29 0.00 0.00 45 Y 8.50 4.36 0.00 3.00 2.87 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 0.00 0.00 0.00 46 D 8.45 5.04 0.00 2.75 2.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47 D 8.51 4.44 0.00 2.70 2.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 48 A 8.51 4.20 1.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 49 T 8.18 4.68 4.27 0.00 0.00 0.00 0.00 0.00 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 50 K 8.64 4.72 0.00 1.75 1.73 0.00 1.71 0.00 0.00 1.73 0.00 0.00 2.84 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.35 1.44 7.81 51 T 8.11 4.63 4.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.00 0.00 52 F 8.86 4.27 0.00 2.98 3.04 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 0.00 0.00 0.00 0.00 53 T 7.65 4.32 4.05 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 1.12 0.00 0.00 54 V 7.99 3.59 2.06 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 1.03 0.00 0.00 0.98 0.00 0.00 55 T 8.24 3.78 4.21 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 1.18 0.00 0.00 56 E 7.48 4.10 0.00 2.15 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 2.20 2.36 0.00 * Residues marked with a * may have inaccurate shift predictions.