NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 15 S 4.5008 8.3231 115.4155 57.0780 66.2772 177.1124 16 G 3.8939 7.5238 119.0423 43.7358 0.0000 174.1640 17 N 4.6727 9.3172 116.7168 52.7486 38.1878 171.8113 18 T 4.7100 7.7551 116.6703 61.7182 73.0100 174.9474 19 G 4.2484 8.3631 116.8180 44.4725 0.0000 172.5966 20 S 4.6693 7.9680 114.6674 57.0166 64.5249 175.2172 21 I 4.0090 8.3090 118.0546 62.7538 38.1763 176.4073 22 I 4.1850 7.4666 113.6987 59.3164 38.6884 175.2953 23 N 4.5353 8.4228 120.0917 52.2747 37.9601 174.2751 24 N 4.3874 8.6254 117.9824 54.3043 39.4263 174.5446 25 Y 3.9654 8.6135 125.1656 59.9844 39.2545 175.4257 26 Y 4.7358 8.1158 116.5859 56.5804 39.7230 175.9444 27 M 4.3512 8.5833 121.8357 55.4717 34.2058 177.7138 28 Q 4.1739 8.6529 121.8267 58.6973 29.1540 178.0377 29 Q 3.9997 8.1215 119.1323 58.4749 29.1687 176.2161 30 Y 4.5233 7.7474 115.9245 59.7139 39.3569 177.1294 31 Q 4.2212 8.2381 119.6956 58.1495 29.4477 175.0009 32 N 5.1415 7.9680 114.9603 51.2465 42.6067 173.2790 33 S 4.6346 8.3669 113.0415 57.6591 64.5292 173.3569 34 M 4.4500 8.2876 122.1254 54.1965 33.2224 175.7205 35 D 4.8118 8.4283 122.8767 53.3950 42.5764 175.7839 36 T 4.6655 8.1324 110.6957 59.8766 71.5372 173.0226 37 Q 4.6790 8.2357 122.5750 54.4615 31.7389 174.8076 38 L 4.5744 7.6420 123.1069 53.5936 46.2753 174.5703 39 G 4.1110 8.4229 118.5231 46.5578 0.0000 174.9281 *65 N 4.5074 9.0374 119.9936 53.2465 39.4222 172.2206 66 D 4.6938 8.4169 123.2815 53.3059 44.9037 178.6871 67 W 3.4001 7.6635 125.3338 57.6917 34.4277 176.9310 68 F 3.7062 8.2355 118.2458 60.4109 38.5563 177.3243 69 S 4.1010 7.8490 111.7211 61.4919 62.2072 176.4982 70 K 3.9087 7.7134 120.3630 59.3804 31.6398 178.9651 71 L 3.6338 7.7540 120.7439 57.2636 41.8958 178.5176 72 A 4.1254 8.0496 120.3944 55.3532 18.7183 179.5477 73 S 4.2768 7.7178 112.6115 61.3515 62.5711 176.4133 74 S 4.3900 7.7323 113.1989 58.0011 62.4991 173.5703 75 A 4.2290 7.2385 126.0647 51.9508 18.6663 177.8123 76 F 4.6318 8.8217 125.6775 58.6631 39.9813 174.9317 77 S 4.7165 9.0945 120.7538 58.0083 66.0046 174.6411 78 G 4.6692 7.9392 117.4716 44.9463 0.0000 176.1927 79 L 4.5200 8.6101 122.5458 53.1824 45.5392 178.1953 80 F 4.1938 8.7885 118.2282 58.8555 40.4530 175.0128 81 G 4.3650 7.6160 111.6441 44.6078 0.0000 176.9052 82 A 4.3304 8.4356 131.2351 50.9268 20.7181 175.7207 83 L 4.3567 8.4680 125.3718 54.4035 43.1899 175.4975 84 L 4.5517 8.2480 126.5541 54.0484 44.4255 175.8242 85 A 4.0159 8.6708 126.9386 52.6993 18.3416 177.4639 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 15 S 8.32 4.50 0.00 4.01 3.95 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 16 G 7.52 3.89 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 0.00 0.00 0.00 17 N 9.32 4.67 0.00 2.70 2.77 0.00 0.00 6.58 7.70 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 18 T 7.76 4.71 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 1.23 0.00 0.00 19 G 8.36 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 0.00 0.00 0.00 0.00 20 S 7.97 4.67 0.00 3.89 3.82 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 0.00 0.00 0.00 21 I 8.31 4.01 1.88 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 1.48 0.55 0.92 0.00 0.00 22 I 7.47 4.18 1.88 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.51 0.92 0.00 0.00 23 N 8.42 4.54 0.00 2.86 2.88 0.00 0.00 6.02 8.04 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 24 N 8.63 4.39 0.00 2.78 3.05 0.00 0.00 6.98 7.54 0.00 0.00 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 Y 8.61 3.97 0.00 2.81 2.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 26 Y 8.12 4.74 0.00 3.24 2.98 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 27 M 8.58 4.35 0.00 2.17 2.30 0.00 0.00 0.00 0.00 0.00 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.82 2.67 0.00 28 Q 8.65 4.17 0.00 2.16 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.13 6.91 0.00 0.00 0.00 0.00 0.00 2.46 2.44 0.00 29 Q 8.12 4.00 0.00 2.01 1.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.12 6.64 0.00 0.00 0.00 0.00 0.00 2.00 2.30 0.00 30 Y 7.75 4.52 0.00 3.23 2.94 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 0.00 0.00 0.00 31 Q 8.24 4.22 0.00 2.18 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.66 0.00 0.00 0.00 0.00 0.00 2.45 2.50 0.00 32 N 7.97 5.14 0.00 2.72 2.71 0.00 0.00 7.02 7.64 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 33 S 8.37 4.63 0.00 3.96 3.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 34 M 8.29 4.45 0.00 2.00 2.00 0.00 0.00 0.00 0.00 0.00 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.49 2.44 0.00 35 D 8.43 4.81 0.00 2.64 2.58 0.00 0.00 0.00 0.00 0.00 0.00 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 T 8.13 4.67 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 37 Q 8.24 4.68 0.00 1.98 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.69 0.00 0.00 0.00 0.00 0.00 2.23 2.36 0.00 38 L 7.64 4.57 0.00 1.59 1.48 0.92 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 39 G 8.42 4.11 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *65 N 9.04 4.51 0.00 2.74 2.81 0.00 0.00 6.61 8.47 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 66 D 8.42 4.69 0.00 2.84 2.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 67 W 7.66 3.40 0.00 3.32 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 68 F 8.24 3.71 0.00 3.28 3.21 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 0.00 69 S 7.85 4.10 0.00 3.96 4.09 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 70 K 7.71 3.91 0.00 1.59 1.65 0.00 1.78 0.00 0.00 1.75 0.00 0.00 3.06 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.48 1.45 7.81 71 L 7.75 3.63 0.00 0.42 1.33 0.69 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 72 A 8.05 4.13 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 73 S 7.72 4.28 0.00 3.95 3.89 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 74 S 7.73 4.39 0.00 3.98 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 75 A 7.24 4.23 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 76 F 8.82 4.63 0.00 2.93 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 77 S 9.09 4.72 0.00 3.90 3.80 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 0.00 0.00 0.00 78 G 7.94 4.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 79 L 8.61 4.52 0.00 1.78 1.69 0.95 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 0.00 0.00 0.00 0.00 0.00 0.00 80 F 8.79 4.19 0.00 3.43 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 81 G 7.62 4.37 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 0.00 82 A 8.44 4.33 1.24 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 0.00 0.00 0.00 83 L 8.47 4.36 0.00 1.62 1.59 0.93 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 84 L 8.25 4.55 0.00 1.61 1.50 0.93 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 85 A 8.67 4.02 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 * Residues marked with a * may have inaccurate shift predictions.