NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 A 4.2268 8.3645 123.5821 51.3369 20.4266 177.3053 3 R 3.6716 8.3218 117.8743 58.0990 29.9066 178.8872 4 K 3.9137 9.4781 127.3300 56.9523 32.8750 174.8168 5 A 4.0092 8.3206 123.4603 55.7633 18.2267 179.5117 6 L 4.0782 7.8090 116.3263 57.2324 41.0868 180.7597 7 I 4.3203 7.4222 118.4090 59.8761 33.6927 181.7444 8 E 4.8379 7.8916 125.4906 55.7435 31.6763 178.2137 9 K 4.1860 8.3361 124.2830 58.1103 32.1828 181.3795 10 A 4.3440 8.1181 119.8475 53.6102 18.0220 178.4387 11 K 4.2685 8.3119 122.1121 61.8303 31.3628 185.0000 12 R 2.6644 7.4649 116.9258 56.6549 32.0727 178.2499 13 T 3.9064 7.3712 125.4107 61.0512 67.7931 174.1662 14 P 4.7332 0.0000 0.0000 60.9906 32.8196 174.2575 15 K 4.4064 10.0142 119.9328 56.0453 30.6067 182.6109 *16 F 4.4935 7.8838 118.4936 56.7861 40.0512 178.5339 17 K 3.9725 8.8252 132.4803 57.6553 31.7488 176.6510 18 V 3.8235 7.9648 116.7363 63.0341 31.4635 179.2143 19 R 4.3995 8.4897 116.9324 57.3269 30.0923 182.2720 20 A 4.2809 8.2354 121.9380 54.0459 18.9574 177.2524 *21 Y 4.6422 8.3352 119.4031 56.4349 40.8673 176.4113 22 T 3.9288 8.8852 120.6300 63.6572 68.7017 169.7812 23 R 3.7655 8.0609 126.9936 55.7922 29.1520 179.3132 24 C 4.5431 8.4477 119.3114 55.4159 41.1581 174.4680 25 V 4.4774 7.5300 122.7810 58.5127 30.7414 175.6438 26 R 4.6872 7.3549 133.0324 57.6879 32.6532 178.3050 27 C 4.6540 8.5469 113.7103 54.5964 36.2816 175.5049 28 G 3.9368 8.7670 109.6722 46.2334 0.0000 171.1651 29 R 3.8685 7.5805 118.3974 56.1705 28.6294 179.1576 30 A 4.3294 8.3398 126.7014 52.3973 18.8671 179.5994 31 R 3.7849 7.7000 116.1533 58.2588 29.5243 183.2701 32 S 4.6706 8.1877 117.6194 57.0689 62.5322 176.5809 33 V 4.4596 7.7965 125.1113 59.6323 33.9258 175.7293 *34 Y 4.6616 7.6977 121.6702 55.8768 38.8720 178.6655 35 R 3.9232 9.0117 126.6400 59.2760 29.8452 175.5073 *36 F 4.1680 8.2967 118.2217 59.8590 37.9201 178.8479 *37 F 4.5148 8.1656 117.1606 56.0449 39.4255 177.7913 38 G 3.8193 8.9744 111.2639 47.2461 0.0000 173.3734 39 L 4.6808 7.8113 121.0247 52.1183 44.2279 179.3141 40 C 4.4727 9.2692 122.9736 55.8202 38.5947 173.1972 41 R 3.5727 8.3932 126.9015 58.5969 29.6772 175.7429 42 I 4.0034 8.4221 117.6357 63.8966 35.8271 184.0137 43 C 4.7325 8.2684 115.9009 55.6737 40.3221 176.8109 44 L 4.6132 9.1485 125.0627 56.8677 43.4116 183.1143 45 R 4.1228 7.7029 121.6039 61.7169 29.4390 180.9717 46 E 4.3840 8.2479 119.7251 61.7245 29.9468 183.2792 47 L 4.1671 7.9406 122.1386 59.5570 40.7999 181.4453 48 A 4.3600 8.2274 122.6540 55.1066 18.0008 179.5711 *49 H 4.5556 8.7287 120.3881 59.8357 28.4503 183.5133 50 K 4.2875 7.9768 124.7413 57.8118 31.3968 179.4647 51 G 4.0302 7.7635 106.5280 47.4210 0.0000 174.3709 52 Q 4.3708 8.1124 118.1052 54.9546 27.9209 180.3651 53 L 4.6474 7.5255 121.3396 52.4860 42.1570 178.2989 54 P 4.1375 0.0000 0.0000 62.9878 31.0727 176.5918 55 G 3.9995 9.0098 110.5932 46.6425 0.0000 175.7363 56 V 3.9896 7.8134 120.4283 61.2262 29.2403 182.3909 57 R 4.1861 7.6104 124.4553 55.8012 30.5989 178.7781 58 K 4.0584 8.4811 121.1371 54.4273 31.7654 177.8824 59 A 4.1673 8.6864 130.0717 52.1198 18.9509 177.3407 60 S 4.6907 8.2450 114.2125 58.2827 65.7896 179.0421 *61 W 4.5594 8.6299 125.7730 55.7345 28.8617 170.8875 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 A 8.36 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 3 R 8.32 3.67 0.00 1.83 1.88 0.00 3.30 0.00 0.00 3.36 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.26 0.00 4 K 9.48 3.91 0.00 1.67 1.89 0.00 1.77 0.00 0.00 1.82 0.00 0.00 2.87 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.46 1.06 7.81 5 A 8.32 4.01 1.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 L 7.81 4.08 0.00 1.70 1.61 0.92 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 0.00 0.00 0.00 0.00 7 I 7.42 4.32 1.87 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 1.16 1.13 0.91 0.00 0.00 8 E 7.89 4.84 0.00 1.91 1.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 1.86 0.00 9 K 8.34 4.19 0.00 1.68 1.84 0.00 1.76 0.00 0.00 1.82 0.00 0.00 2.85 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.44 1.00 7.81 10 A 8.12 4.34 1.27 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 0.00 0.00 0.00 11 K 8.31 4.27 0.00 1.79 1.67 0.00 1.82 0.00 0.00 1.74 0.00 0.00 2.94 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.32 1.24 7.81 12 R 7.46 2.66 0.00 1.89 1.93 0.00 3.27 0.00 0.00 3.26 7.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.22 0.00 13 T 7.37 3.91 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 1.21 0.00 0.00 14 P 0.00 4.73 0.00 2.06 1.95 0.00 3.75 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 1.54 0.00 15 K 10.01 4.41 0.00 1.94 1.97 0.00 1.80 0.00 0.00 1.74 0.00 0.00 2.98 0.00 0.00 2.68 0.00 0.00 0.00 0.00 1.22 0.98 7.81 *16 F 7.88 4.49 0.00 2.15 2.17 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 17 K 8.83 3.97 0.00 1.68 1.86 0.00 1.77 0.00 0.00 1.85 0.00 0.00 2.87 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.45 1.06 7.81 18 V 7.96 3.82 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 0.86 0.00 0.00 0.93 0.00 0.00 19 R 8.49 4.40 0.00 1.76 1.85 0.00 3.24 0.00 0.00 3.23 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.43 0.00 20 A 8.24 4.28 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 *21 Y 8.34 4.64 0.00 2.30 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 0.00 0.00 0.00 0.00 22 T 8.89 3.93 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 1.21 0.00 0.00 23 R 8.06 3.77 0.00 1.96 1.79 0.00 3.23 0.00 0.00 3.26 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.17 0.00 24 C 8.45 4.54 0.00 2.79 2.99 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 0.00 0.00 0.00 25 V 7.53 4.48 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 0.85 0.00 0.00 0.93 0.00 0.00 26 R 7.35 4.69 0.00 1.80 1.81 0.00 3.21 0.00 0.00 3.26 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.98 0.00 27 C 8.55 4.65 0.00 2.71 3.00 0.00 0.00 0.00 0.00 0.00 0.00 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 G 8.77 3.94 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 0.00 0.00 0.00 29 R 7.58 3.87 0.00 1.84 1.83 0.00 3.26 0.00 0.00 3.23 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.25 0.00 30 A 8.34 4.33 1.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 R 7.70 3.78 0.00 1.84 1.68 0.00 3.23 0.00 0.00 3.26 7.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.21 0.00 32 S 8.19 4.67 0.00 3.62 3.77 0.00 0.00 0.00 0.00 0.00 0.00 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 V 7.80 4.46 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 0.88 0.00 0.00 0.93 0.00 0.00 *34 Y 7.70 4.66 0.00 2.32 2.17 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 35 R 9.01 3.92 0.00 1.82 1.88 0.00 3.28 0.00 0.00 3.26 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.20 0.00 *36 F 8.30 4.17 0.00 2.29 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 0.00 0.00 0.00 0.00 *37 F 8.17 4.51 0.00 2.28 2.20 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 38 G 8.97 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 0.00 0.00 0.00 39 L 7.81 4.68 0.00 1.53 1.50 0.92 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.00 0.00 0.00 0.00 0.00 0.00 40 C 9.27 4.47 0.00 2.75 3.03 0.00 0.00 0.00 0.00 0.00 0.00 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 R 8.39 3.57 0.00 1.70 1.96 0.00 3.22 0.00 0.00 3.20 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.51 0.00 42 I 8.42 4.00 1.87 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 1.16 0.56 0.91 0.00 0.00 43 C 8.27 4.73 0.00 2.72 2.99 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 0.00 0.00 0.00 44 L 9.15 4.61 0.00 1.42 1.62 0.92 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 0.00 0.00 0.00 0.00 0.00 0.00 45 R 7.70 4.12 0.00 2.02 1.88 0.00 3.23 0.00 0.00 3.26 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.51 0.00 46 E 8.25 4.38 0.00 1.97 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 2.31 1.94 0.00 47 L 7.94 4.17 0.00 1.64 1.73 0.92 0.81 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 48 A 8.23 4.36 1.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 H 8.73 4.56 0.00 2.88 3.07 0.00 7.22 0.00 0.00 0.00 0.00 6.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 50 K 7.98 4.29 0.00 1.85 1.77 0.00 1.80 0.00 0.00 1.71 0.00 0.00 3.01 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.36 1.09 7.81 51 G 7.76 4.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 Q 8.11 4.37 0.00 2.10 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.09 6.88 0.00 0.00 0.00 0.00 0.00 2.26 2.16 0.00 53 L 7.53 4.65 0.00 1.60 1.47 0.92 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 54 P 0.00 4.14 0.00 1.98 2.01 0.00 3.85 0.00 0.00 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 1.64 0.00 55 G 9.01 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 56 V 7.81 3.99 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 0.70 0.00 0.00 0.93 0.00 0.00 57 R 7.61 4.19 0.00 1.82 1.74 0.00 3.24 0.00 0.00 3.26 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.19 0.00 58 K 8.48 4.06 0.00 1.77 1.66 0.00 1.79 0.00 0.00 1.71 0.00 0.00 2.92 0.00 0.00 2.71 0.00 0.00 0.00 0.00 1.36 1.01 7.81 59 A 8.69 4.17 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 60 S 8.24 4.69 0.00 3.60 3.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *61 W 8.63 4.56 0.00 2.46 2.00 0.00 0.00 0.00 0.00 0.00 0.00 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.