NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- *28 K 4.2956 8.1685 122.1404 54.3623 33.0807 177.1965 29 A 4.0013 8.6854 115.5706 57.0486 18.2340 178.7120 *30 T 3.8912 8.2386 114.2086 66.8078 69.0168 178.5033 *31 I 3.9949 7.6461 124.5983 65.9539 35.4838 181.6372 *32 S 4.5275 8.1709 122.5091 63.3905 62.1729 179.1891 *33 V 3.9249 8.0837 124.0741 66.9607 31.3174 183.5177 *34 I 4.0788 8.2502 123.4374 65.6588 35.3051 181.3679 *35 I 4.0113 7.7515 123.9853 65.6614 35.1776 181.0612 *36 F 4.3423 8.3949 124.9834 62.4499 37.8378 180.3339 *37 S 4.3352 8.5970 122.2023 63.8423 62.0516 179.3067 *38 L 4.2282 8.1526 125.7628 59.1871 40.4110 181.2693 39 A 4.2548 7.8524 123.2668 55.7718 18.7104 180.1347 *40 I 3.9305 8.6388 119.4357 65.2020 35.4591 180.4225 41 G 3.9133 8.3122 109.9888 48.3386 0.0000 176.7858 *42 V 3.7340 7.9269 124.1930 66.6216 31.4733 181.1805 *43 Y 4.2518 7.8998 123.4727 62.5517 36.7439 181.3615 *44 L 4.2115 7.9388 126.5336 59.6051 41.1751 181.6521 *45 W 4.2542 8.3455 126.5114 61.9877 28.0334 181.0370 *46 I 4.0130 8.2160 124.2411 65.5623 34.9642 180.7887 *47 L 4.3047 8.9479 128.2554 59.8472 40.6828 181.4245 *48 D 4.6733 8.7789 124.5142 59.0217 39.7090 181.8001 *49 L 4.2965 7.8980 125.6938 60.3114 40.8803 182.3712 *50 T 4.1836 7.7166 117.7791 66.3618 68.4154 179.1364 *51 F 4.2743 8.1578 126.1153 62.8435 38.0580 180.1986 *52 T 4.2322 8.0260 117.9315 66.2499 67.9623 178.9982 *53 K 4.2153 7.9634 127.9789 60.4980 32.1388 181.8172 *54 I 4.1749 8.4224 124.2471 65.4603 35.3540 181.1045 *55 I 4.0103 8.4073 125.1037 65.7749 35.2518 181.0592 *56 S 4.4783 8.2977 123.0281 63.3034 61.9648 179.0153 *57 F 4.3181 8.1180 125.0730 62.9344 37.8700 182.4011 *58 I 3.9914 7.6574 123.5833 65.4010 35.0561 180.7907 *59 L 4.2738 7.8890 125.1966 59.9493 40.9779 181.5222 *60 S 4.5499 8.6790 122.0068 63.6749 62.3735 178.7170 *61 L 4.4139 8.0709 127.3682 59.4902 40.8776 179.8989 *62 R 4.4578 7.6385 121.1729 55.9060 29.8040 177.5950 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 *28 K 8.17 4.30 0.00 1.70 1.67 0.00 1.76 0.00 0.00 1.81 0.00 0.00 2.89 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.34 1.02 7.81 29 A 8.69 4.00 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 *30 T 8.24 3.89 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 *31 I 7.65 3.99 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 1.38 0.54 0.91 0.00 0.00 *32 S 8.17 4.53 0.00 3.73 3.90 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 *33 V 8.08 3.92 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 0.71 0.00 0.00 0.93 0.00 0.00 *34 I 8.25 4.08 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 1.38 0.54 0.91 0.00 0.00 *35 I 7.75 4.01 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 1.38 0.54 0.91 0.00 0.00 *36 F 8.39 4.34 0.00 2.27 2.33 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 *37 S 8.60 4.34 0.00 3.68 3.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *38 L 8.15 4.23 0.00 1.65 1.71 0.92 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 39 A 7.85 4.25 1.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *40 I 8.64 3.93 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 1.45 0.70 0.91 0.00 0.00 41 G 8.31 3.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *42 V 7.93 3.73 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 0.76 0.00 0.00 0.93 0.00 0.00 *43 Y 7.90 4.25 0.00 2.35 2.33 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 *44 L 7.94 4.21 0.00 1.64 1.71 0.92 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 *45 W 8.35 4.25 0.00 2.49 2.32 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 *46 I 8.22 4.01 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 1.38 0.54 0.91 0.00 0.00 *47 L 8.95 4.30 0.00 1.56 1.71 0.92 1.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 *48 D 8.78 4.67 0.00 2.63 2.71 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 *49 L 7.90 4.30 0.00 1.68 1.71 0.92 0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 *50 T 7.72 4.18 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 *51 F 8.16 4.27 0.00 2.30 2.33 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 *52 T 8.03 4.23 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 *53 K 7.96 4.22 0.00 1.86 1.75 0.00 1.78 0.00 0.00 1.74 0.00 0.00 2.99 0.00 0.00 2.79 0.00 0.00 0.00 0.00 1.39 1.33 7.81 *54 I 8.42 4.17 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 1.38 0.54 0.91 0.00 0.00 *55 I 8.41 4.01 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 1.38 0.54 0.91 0.00 0.00 *56 S 8.30 4.48 0.00 3.75 3.90 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 *57 F 8.12 4.32 0.00 2.30 2.33 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 *58 I 7.66 3.99 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 1.38 0.54 0.91 0.00 0.00 *59 L 7.89 4.27 0.00 1.74 1.61 0.92 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 *60 S 8.68 4.55 0.00 3.64 3.81 0.00 0.00 0.00 0.00 0.00 0.00 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 L 8.07 4.41 0.00 1.74 1.61 0.92 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 *62 R 7.64 4.46 0.00 1.84 1.69 0.00 3.27 0.00 0.00 3.26 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.41 0.00 * Residues marked with a * may have inaccurate shift predictions.