NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.3816 8.3044 118.1947 55.0151 31.9904 174.4567 2 V 3.1579 7.9582 122.8344 65.2752 32.1160 173.6412 3 I 4.3826 7.7572 123.4867 59.8988 39.7877 175.4098 4 A 4.7224 8.7369 128.3242 51.3230 21.5324 176.9637 5 T 4.1836 8.3822 105.0774 65.0161 67.9309 176.4622 6 D 4.3888 8.1291 121.2328 57.3434 40.5627 178.4873 7 D 4.5860 8.0422 118.0583 56.5563 41.0824 177.5532 8 L 4.2817 7.4011 116.9077 56.7162 42.3139 175.8436 9 E 5.1650 7.4003 115.2537 55.4005 32.9832 175.0701 10 V 4.1983 7.6872 114.3717 62.6416 34.7683 171.3613 11 A 4.2670 8.8660 130.4796 51.4518 18.1568 176.5182 12 C 4.1810 8.6098 123.3813 59.2437 31.9617 173.0265 13 P 4.4385 0.0000 0.0000 64.8200 31.7142 177.5483 14 K 4.2591 7.5723 117.8367 58.6126 33.7383 176.6731 15 C 4.4518 7.5079 107.1450 58.1352 29.1140 176.2182 *26 C 4.2632 8.8108 119.6365 58.4357 31.6517 171.8632 27 P 4.2816 0.0000 0.0000 65.3572 31.4591 178.5095 28 A 4.0797 8.2051 120.5378 54.5997 18.4002 177.6411 29 C 4.5802 7.9904 107.7402 57.1782 30.9596 173.7106 30 S 3.6976 8.3220 114.4103 59.9828 60.1447 173.3117 31 G 4.0068 8.0824 106.8118 45.6996 0.0000 175.5236 32 K 4.0171 7.8652 120.2751 57.5121 32.5888 179.6082 33 G 4.0596 8.3974 106.5094 45.1861 0.0000 172.6839 34 V 4.9576 7.3892 118.3291 60.0433 33.8222 174.8214 35 I 4.5381 8.5083 128.4229 59.9563 38.7459 175.1418 36 L 5.0119 8.5298 125.8474 53.6032 43.8318 176.4614 37 T 4.3105 8.7512 112.7120 60.9292 70.5410 175.6734 38 A 3.9162 8.6883 122.9836 55.4499 18.1768 179.2770 39 Q 4.0156 8.3229 117.6698 59.4731 28.9346 178.8373 40 G 3.7119 7.8841 106.3381 48.2121 0.0000 175.1115 41 Y 3.9923 8.3298 119.8984 60.7785 38.0795 178.6914 42 T 4.1452 8.2373 116.7863 67.0141 68.5308 176.2538 43 L 4.0561 7.7933 120.0472 57.7595 41.6993 179.3162 44 L 3.8985 7.9871 120.1596 58.2877 42.0288 178.4089 45 D 4.3178 8.8323 118.8384 57.3652 41.1300 178.0222 46 F 4.2347 8.2150 120.6559 61.3214 39.3399 177.2517 47 I 3.5688 8.1427 119.6838 64.4195 36.7428 178.1332 48 Q 3.8720 8.1121 119.4281 59.1523 28.9329 178.1198 49 K 4.0229 7.8900 119.3085 58.5722 32.3050 176.8194 50 H 4.6449 7.0948 112.5028 54.9057 30.7612 173.4085 51 L 4.0575 7.9086 126.2905 55.3078 41.7808 176.3240 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 4.38 0.00 2.14 2.16 0.00 0.00 0.00 0.00 0.00 -0.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.66 2.54 0.00 2 V 7.96 3.16 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 0.78 0.00 0.00 0.93 0.00 0.00 3 I 7.76 4.38 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 1.35 0.71 0.92 0.00 0.00 4 A 8.74 4.72 1.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5 T 8.38 4.18 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 6 D 8.13 4.39 0.00 2.79 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 D 8.04 4.59 0.00 2.66 2.74 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 0.00 0.00 0.00 0.00 8 L 7.40 4.28 0.00 1.83 1.72 0.99 0.81 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 9 E 7.40 5.17 0.00 1.83 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 2.25 2.23 0.00 10 V 7.69 4.20 2.34 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 0.88 0.00 0.00 0.94 0.00 0.00 11 A 8.87 4.27 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 12 C 8.61 4.18 0.00 3.14 2.88 0.00 0.00 0.00 0.00 0.00 0.00 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 P 0.00 4.44 0.00 2.22 2.17 0.00 3.81 0.00 0.00 3.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.95 0.00 14 K 7.57 4.26 0.00 1.71 1.86 0.00 1.77 0.00 0.00 1.76 0.00 0.00 3.02 0.00 0.00 3.13 0.00 0.00 0.00 0.00 1.42 1.37 7.81 15 C 7.51 4.45 0.00 3.10 2.05 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 *26 C 8.81 4.26 0.00 3.01 2.90 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 0.00 0.00 0.00 27 P 0.00 4.28 0.00 2.22 2.08 0.00 3.66 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 2.11 2.08 0.00 28 A 8.21 4.08 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 29 C 7.99 4.58 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 30 S 8.32 3.70 0.00 4.11 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 31 G 8.08 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 0.00 0.00 0.00 32 K 7.87 4.02 0.00 1.94 1.99 0.00 1.76 0.00 0.00 1.66 0.00 0.00 2.94 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.47 1.55 7.81 33 G 8.40 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 34 V 7.39 4.96 2.10 0.00 0.00 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 0.99 0.00 0.00 35 I 8.51 4.54 1.89 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 1.37 0.75 0.93 0.00 0.00 36 L 8.53 5.01 0.00 1.94 1.82 0.85 0.99 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 37 T 8.75 4.31 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 38 A 8.69 3.92 1.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 Q 8.32 4.02 0.00 2.19 2.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.84 0.00 0.00 0.00 0.00 0.00 2.45 2.53 0.00 40 G 7.88 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 41 Y 8.33 3.99 0.00 3.12 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 42 T 8.24 4.15 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 1.22 0.00 0.00 43 L 7.79 4.06 0.00 1.81 1.77 0.95 0.87 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 44 L 7.99 3.90 0.00 1.81 1.48 0.85 0.80 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 45 D 8.83 4.32 0.00 2.76 2.79 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 46 F 8.22 4.23 0.00 3.29 3.24 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 47 I 8.14 3.57 1.87 0.00 0.00 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 1.82 0.75 0.89 0.00 0.00 48 Q 8.11 3.87 0.00 1.94 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.14 7.01 0.00 0.00 0.00 0.00 0.00 2.33 2.36 0.00 49 K 7.89 4.02 0.00 1.94 1.69 0.00 1.80 0.00 0.00 1.73 0.00 0.00 3.01 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.23 1.38 7.81 50 H 7.09 4.64 0.00 2.90 3.05 0.00 5.72 0.00 0.00 0.00 0.00 6.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 51 L 7.91 4.06 0.00 1.72 1.50 0.89 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.00 0.00 0.00 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.