NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 R 4.5869 8.2777 119.1011 55.9091 32.2009 176.6584 3 K 4.1559 7.9377 117.1809 54.3090 32.3711 180.3521 4 L 4.1966 7.6302 118.0629 55.2087 43.1656 177.4662 5 S 4.3202 8.5042 117.6610 58.3935 64.9046 175.1181 6 D 4.4116 8.8226 125.7015 58.3116 40.6192 179.5454 7 E 4.0868 8.3595 120.5462 62.0710 29.6992 181.6927 8 L 4.3209 8.0550 123.5016 58.7391 40.9237 180.9847 9 L 4.1438 8.2664 120.4894 58.4827 42.2169 179.2670 10 I 3.8346 8.1262 122.2785 64.9431 37.0047 178.7379 11 E 4.2294 8.4341 119.2353 61.6064 29.4583 181.2899 12 S 4.4114 8.4207 116.4205 61.3900 62.9561 176.2223 13 Y 4.2003 8.0501 122.2563 60.8243 38.5405 178.2854 14 F 3.9735 8.0048 118.1991 60.3915 38.8063 177.8761 15 K 4.2416 8.4851 118.1212 58.9457 32.1165 178.7767 16 A 4.2646 8.3997 121.3809 55.6677 18.0592 179.9256 17 T 3.8333 7.4702 112.4813 66.6130 68.2906 178.2644 18 E 4.0948 8.4293 119.1939 56.2765 29.8792 177.0871 *20 N 4.3616 8.0804 114.2933 53.4454 39.9602 173.6353 21 L 4.2952 8.0778 118.0275 53.5542 43.1823 177.4499 22 N 4.2402 8.9271 119.3402 55.4103 39.6197 176.1501 23 R 4.0713 8.8055 129.0762 61.6431 29.6567 175.2961 24 D 4.6064 8.2566 117.7682 57.2722 40.7957 178.3193 25 F 4.2271 8.5653 121.3532 61.4376 39.4023 177.2346 26 I 3.5343 7.9479 119.4003 64.2946 36.7975 177.8486 27 E 4.1435 8.2245 121.4656 58.7240 29.3612 178.9645 28 L 3.8932 7.6238 118.5385 57.6377 41.5995 179.5944 29 I 3.4718 7.1439 119.6690 64.3303 37.0004 178.0282 30 E 3.5066 7.9582 119.3945 59.7000 29.2215 179.4270 31 N 4.3625 8.2814 116.3864 56.1710 38.4046 177.1541 32 E 3.8559 8.0592 120.8209 59.1283 29.6242 178.9321 33 I 3.6740 7.8508 122.4291 64.8207 37.1285 179.1827 34 K 3.9106 8.1407 124.7879 59.6629 31.3004 180.7352 35 R 4.0458 7.8517 119.2363 59.5626 30.0810 178.6992 36 R 4.0496 7.7413 116.4224 58.8518 30.0390 178.7160 37 S 4.3786 7.7032 115.7091 61.2234 63.4204 175.3752 38 L 4.3267 7.8933 129.6068 56.4775 40.9273 179.4862 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 R 8.28 4.59 0.00 1.81 2.06 0.00 3.21 0.00 0.00 2.25 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.59 0.00 3 K 7.94 4.16 0.00 1.85 1.70 0.00 1.81 0.00 0.00 1.71 0.00 0.00 2.88 0.00 0.00 2.68 0.00 0.00 0.00 0.00 1.31 1.09 7.81 4 L 7.63 4.20 0.00 1.61 1.65 0.95 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 0.00 0.00 0.00 0.00 0.00 0.00 5 S 8.50 4.32 0.00 4.05 4.01 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 0.00 0.00 0.00 6 D 8.82 4.41 0.00 2.72 2.78 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 0.00 0.00 0.00 7 E 8.36 4.09 0.00 1.97 1.97 0.00 0.00 0.00 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 1.96 0.00 8 L 8.06 4.32 0.00 1.66 1.70 0.92 0.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 9 L 8.27 4.14 0.00 1.80 1.86 0.86 1.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.00 0.00 0.00 0.00 0.00 0.00 10 I 8.13 3.83 1.99 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.29 1.18 0.00 0.00 11 E 8.43 4.23 0.00 1.98 1.97 0.00 0.00 0.00 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 2.24 0.00 12 S 8.42 4.41 0.00 4.05 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 0.00 13 Y 8.05 4.20 0.00 2.82 2.93 0.00 0.00 0.00 0.00 0.00 0.00 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 F 8.00 3.97 0.00 3.32 3.17 0.00 0.00 0.00 0.00 0.00 0.00 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 8.49 4.24 0.00 1.81 1.94 0.00 1.74 0.00 0.00 1.61 0.00 0.00 3.07 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.53 1.53 7.81 16 A 8.40 4.26 1.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 T 7.47 3.83 4.17 0.00 0.00 0.00 0.00 0.00 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 0.00 0.00 18 E 8.43 4.09 0.00 2.17 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.35 2.43 0.00 *20 N 8.08 4.36 0.00 2.69 2.84 0.00 0.00 7.23 7.78 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 21 L 8.08 4.30 0.00 1.84 1.65 0.97 1.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 22 N 8.93 4.24 0.00 2.77 2.83 0.00 0.00 6.98 7.65 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 23 R 8.81 4.07 0.00 1.86 1.93 0.00 3.30 0.00 0.00 3.34 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.30 0.00 24 D 8.26 4.61 0.00 2.93 2.78 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 0.00 0.00 0.00 25 F 8.57 4.23 0.00 3.17 3.33 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 26 I 7.95 3.53 2.05 0.00 0.00 0.91 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 0.71 1.01 0.00 0.00 27 E 8.22 4.14 0.00 2.03 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 2.42 2.19 0.00 28 L 7.62 3.89 0.00 1.69 1.59 0.99 0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 29 I 7.14 3.47 1.87 0.00 0.00 0.57 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 0.10 0.79 0.00 0.00 30 E 7.96 3.51 0.00 2.05 1.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 2.43 0.00 31 N 8.28 4.36 0.00 2.83 2.80 0.00 0.00 6.70 8.48 0.00 0.00 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 8.06 3.86 0.00 2.02 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 2.25 2.33 0.00 33 I 7.85 3.67 1.74 0.00 0.00 0.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 1.06 0.74 0.00 0.00 34 K 8.14 3.91 0.00 1.75 1.82 0.00 1.82 0.00 0.00 1.57 0.00 0.00 2.83 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.37 1.32 7.81 35 R 7.85 4.05 0.00 1.87 2.10 0.00 3.21 0.00 0.00 3.19 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.65 0.00 36 R 7.74 4.05 0.00 1.93 1.95 0.00 3.17 0.00 0.00 3.35 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.80 0.00 37 S 7.70 4.38 0.00 3.97 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 38 L 7.89 4.33 0.00 1.78 1.47 0.92 0.72 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 * Residues marked with a * may have inaccurate shift predictions.