NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 I 3.8341 8.0093 114.2444 60.5553 39.3929 175.0230 4 V 3.9829 7.2960 121.4208 60.0911 32.5173 173.0676 5 Y 4.3154 8.4302 123.8672 59.2136 39.0556 177.9452 6 G 3.9630 9.2666 114.3011 45.4709 0.0000 173.6481 7 D 4.6266 7.7260 121.7201 52.5159 39.7831 175.4789 8 Y 4.0070 7.9790 125.2429 60.6320 39.1860 176.8152 9 N 4.6875 8.5113 113.2580 51.8657 37.5789 174.2873 10 N 4.2428 7.9104 114.4122 55.0485 36.5459 174.4327 11 D 4.6554 8.8098 114.5514 53.0153 40.1980 176.7737 12 G 3.9684 9.6805 108.3843 45.7267 0.0000 173.1381 13 N 4.9650 8.0721 114.5187 51.1465 42.4881 174.3640 14 V 4.5216 8.4148 121.2431 61.4238 32.9943 173.9583 15 D 4.6590 9.4882 127.3589 51.2724 42.2037 175.3730 16 A 4.1271 8.7765 119.2893 55.7428 18.0590 179.6276 17 L 3.9236 7.9921 117.1278 58.2683 41.6561 179.5653 18 D 4.3043 8.1047 118.2512 57.0687 40.7021 178.4076 19 F 4.2156 8.2453 120.5287 61.4290 39.4273 176.8623 20 A 3.8803 8.3743 120.6639 55.0240 18.1668 179.8866 21 G 2.3904 7.5675 104.2022 47.2249 0.0000 175.6957 22 L 3.9755 7.8147 123.2878 57.6691 42.1476 178.7011 23 K 3.6716 7.7676 119.6398 59.6705 31.8127 178.6030 24 K 3.8899 7.7399 116.9954 59.5616 32.3508 178.3591 25 Y 4.1268 8.0741 119.5807 60.9674 38.6125 178.4171 26 I 3.8084 7.8432 118.9630 64.2844 37.2264 177.8678 27 M 4.2113 7.6036 117.6761 56.6434 32.0133 177.5261 28 A 3.7257 7.7570 120.9379 53.3551 18.2699 178.6410 *32 A 4.1647 8.2097 122.8913 50.9577 20.7573 175.7060 33 Y 4.6216 8.5422 118.9303 55.8648 40.7438 174.8292 34 V 3.9847 7.3954 126.5639 60.4884 33.5301 175.3814 35 K 3.5992 8.5804 129.3568 59.6139 32.1488 177.8374 36 N 4.3574 7.8806 113.2128 53.6802 37.3944 175.6590 37 L 4.4356 7.3371 118.3418 55.2621 43.1794 176.8824 38 D 4.8058 7.4836 120.8178 53.0134 39.3621 176.9512 39 V 3.6754 8.1860 115.0684 62.7312 32.2092 177.0605 40 N 4.6329 8.3019 115.5657 51.4425 37.7480 174.5791 41 L 3.8344 7.4462 117.5522 56.7600 39.6497 174.5530 42 D 4.8272 8.5298 112.3276 52.5721 39.9080 175.7616 43 N 4.2661 8.6903 114.4876 54.5127 36.6904 173.8395 44 E 4.8503 8.3048 115.1328 54.6576 33.5753 175.5561 45 V 4.5844 8.5466 121.0837 61.3476 33.2933 174.0283 46 N 4.9866 9.3821 126.3978 51.0111 39.8391 174.8528 47 S 4.2238 8.7617 111.5544 62.1604 62.8358 176.2652 48 T 3.9004 7.7872 118.9170 66.7325 68.1564 176.2612 49 D 4.4079 8.2747 120.6165 57.0650 40.7224 178.6058 50 L 4.0080 7.8556 120.2782 58.1788 42.2325 178.6838 51 A 4.1271 8.4301 121.0962 55.2423 18.2129 179.6906 52 I 3.6953 8.0081 118.3340 64.4639 37.1529 178.4142 53 L 4.0449 8.0908 121.2322 57.8812 41.9457 178.6611 54 K 3.4224 8.6046 120.0686 59.6067 32.2210 178.6911 55 K 3.9670 8.1340 119.6551 59.3321 32.1692 178.1364 56 Y 4.0219 8.2865 120.1741 60.7993 38.5543 178.1744 57 L 3.8460 7.9139 118.5140 57.6043 41.7610 179.0948 58 L 4.2079 7.7609 117.5658 56.1356 41.7980 178.3444 59 G 3.8731 7.3183 103.4158 44.5808 0.0000 174.6766 60 M 3.5788 7.2876 120.1109 58.5297 32.2335 175.9258 61 V 3.7714 7.4042 121.3003 62.9561 31.8085 175.5412 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 3 I 8.01 3.83 1.77 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 1.40 1.06 0.83 0.00 0.00 4 V 7.30 3.98 2.03 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 0.74 0.00 0.00 0.91 0.00 0.00 5 Y 8.43 4.32 0.00 2.96 2.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6 G 9.27 3.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 7.73 4.63 0.00 2.79 2.62 0.00 0.00 0.00 0.00 0.00 0.00 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 Y 7.98 4.01 0.00 2.94 3.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 9 N 8.51 4.69 0.00 2.98 3.19 0.00 0.00 7.19 7.82 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 10 N 7.91 4.24 0.00 2.84 2.88 0.00 0.00 6.78 7.61 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 11 D 8.81 4.66 0.00 2.78 2.77 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 12 G 9.68 3.97 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 0.00 0.00 0.00 0.00 0.00 0.00 13 N 8.07 4.96 0.00 2.85 2.77 0.00 0.00 6.61 7.56 0.00 0.00 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 V 8.41 4.52 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.94 0.00 0.00 1.01 0.00 0.00 15 D 9.49 4.66 0.00 2.87 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 16 A 8.78 4.13 1.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 L 7.99 3.92 0.00 1.83 1.77 0.95 1.40 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 18 D 8.10 4.30 0.00 2.93 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 19 F 8.25 4.22 0.00 3.08 3.26 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 20 A 8.37 3.88 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 21 G 7.57 2.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 L 7.81 3.98 0.00 1.79 1.72 0.97 0.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 23 K 7.77 3.67 0.00 1.46 1.72 0.00 1.47 0.00 0.00 1.45 0.00 0.00 2.96 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.29 1.43 7.81 24 K 7.74 3.89 0.00 1.91 1.87 0.00 1.70 0.00 0.00 1.55 0.00 0.00 3.01 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.44 1.47 7.81 25 Y 8.07 4.13 0.00 3.38 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 26 I 7.84 3.81 1.88 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.84 0.92 0.00 0.00 27 M 7.60 4.21 0.00 1.95 2.18 0.00 0.00 0.00 0.00 0.00 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.74 2.51 0.00 28 A 7.76 3.73 1.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 A 8.21 4.16 1.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 Y 8.54 4.62 0.00 2.90 2.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 34 V 7.40 3.98 1.58 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 0.69 0.00 0.00 0.62 0.00 0.00 35 K 8.58 3.60 0.00 1.91 1.73 0.00 1.83 0.00 0.00 1.91 0.00 0.00 3.11 0.00 0.00 3.19 0.00 0.00 0.00 0.00 1.47 1.59 7.81 36 N 7.88 4.36 0.00 2.75 2.76 0.00 0.00 6.08 6.67 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 37 L 7.34 4.44 0.00 1.53 1.62 0.60 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.00 0.00 0.00 0.00 0.00 0.00 38 D 7.48 4.81 0.00 2.74 2.77 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 39 V 8.19 3.68 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 0.80 0.00 0.00 0.99 0.00 0.00 40 N 8.30 4.63 0.00 2.79 2.88 0.00 0.00 6.19 7.79 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 41 L 7.45 3.83 0.00 1.74 1.75 0.53 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 0.00 0.00 0.00 0.00 0.00 0.00 42 D 8.53 4.83 0.00 2.78 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 43 N 8.69 4.27 0.00 2.83 2.70 0.00 0.00 6.63 7.28 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 44 E 8.30 4.85 0.00 2.08 1.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.29 2.41 0.00 45 V 8.55 4.58 2.25 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 0.87 0.00 0.00 0.75 0.00 0.00 46 N 9.38 4.99 0.00 2.94 2.94 0.00 0.00 6.36 6.77 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 47 S 8.76 4.22 0.00 4.09 4.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 48 T 7.79 3.90 4.44 0.00 0.00 0.00 0.00 0.00 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 49 D 8.27 4.41 0.00 2.91 2.85 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 50 L 7.86 4.01 0.00 1.75 1.88 0.48 1.10 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 51 A 8.43 4.13 1.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 I 8.01 3.70 2.05 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 1.43 0.74 0.92 0.00 0.00 53 L 8.09 4.04 0.00 2.00 2.10 1.04 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 54 K 8.60 3.42 0.00 2.13 2.06 0.00 1.84 0.00 0.00 1.62 0.00 0.00 2.88 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.34 1.18 7.81 55 K 8.13 3.97 0.00 1.90 1.95 0.00 1.71 0.00 0.00 1.60 0.00 0.00 2.92 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.47 1.45 7.81 56 Y 8.29 4.02 0.00 3.17 3.15 0.00 0.00 0.00 0.00 0.00 0.00 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 L 7.91 3.85 0.00 1.62 1.57 0.76 1.02 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 58 L 7.76 4.21 0.00 1.56 1.65 0.85 0.80 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 59 G 7.32 3.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 60 M 7.29 3.58 0.00 1.83 1.73 0.00 0.00 0.00 0.00 0.00 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.18 2.42 0.00 61 V 7.40 3.77 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 0.78 0.00 0.00 0.87 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.