NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.4471 8.4045 118.7933 52.6284 31.7438 176.0983 2 K 4.2686 8.1804 125.0154 55.9870 35.9249 174.5430 3 E 3.6460 8.2369 117.6880 56.4913 30.2545 174.1089 4 G 4.0747 8.6140 109.0281 48.7905 0.0000 176.0812 5 I 3.9973 7.8821 121.1801 62.9530 36.4304 180.3162 *6 H 4.6288 7.1126 118.0222 54.3746 27.0877 174.3875 7 P 5.1523 0.0000 0.0000 63.8439 36.9383 171.5229 8 K 4.3011 7.4305 119.1074 56.6677 37.5033 174.0484 9 L 4.3255 8.1231 121.2115 53.6096 49.8100 174.4747 10 V 3.6132 8.9312 119.1204 61.5819 30.9581 173.9303 11 P 5.0331 0.0000 0.0000 61.6985 33.8461 178.3363 12 A 4.6323 8.3341 122.9841 54.0037 19.5448 179.4180 13 R 4.4592 9.4847 120.5953 59.0375 29.7984 180.7160 14 I 3.9478 9.2399 111.3650 62.0843 36.1258 180.2893 15 I 4.2207 7.7284 122.0421 62.1607 33.9212 179.5640 16 C 3.2355 7.8770 113.0288 58.6647 41.0895 177.9857 17 G 3.8535 8.6997 111.6120 46.5576 0.0000 176.5142 18 C 4.5611 7.7766 115.0330 54.7636 40.5764 176.7598 19 G 3.8387 7.9633 115.5597 46.7336 0.0000 173.8695 20 N 4.4796 8.2067 122.7574 54.9701 38.1238 178.0642 21 V 3.8418 7.7995 115.5736 63.8328 31.9045 183.1945 22 I 3.8684 7.6854 118.9130 63.9548 35.5191 182.4683 23 E 5.2304 7.9324 126.2011 55.8367 33.2121 180.7965 24 T 4.7095 7.5040 119.6314 61.4960 72.2934 172.9221 *25 Y 4.7460 7.9451 128.3722 56.7175 35.6736 175.0774 26 S 4.7987 8.6769 114.3764 60.1644 63.7656 174.8177 27 T 3.8285 8.3764 119.0031 63.5444 66.7453 179.8963 28 K 4.3805 9.1916 125.1089 54.4462 34.2524 176.9175 29 P 4.2038 0.0000 0.0000 64.7025 27.8187 173.5847 30 E 3.9932 8.4208 117.6400 59.0747 29.7869 180.3544 31 I 3.6119 8.2123 116.5693 62.3333 34.8838 180.1296 *32 Y 4.6809 7.4825 125.0082 58.5462 37.3495 181.4743 33 V 4.7033 8.5615 117.7672 61.1722 35.1814 175.2485 34 E 4.8024 8.0193 120.5992 55.8450 30.0327 180.3317 35 V 3.7337 8.9944 117.9265 64.8621 33.1579 176.9869 36 C 4.4465 8.3534 119.9660 54.8167 42.4893 174.4188 37 S 4.3990 8.7431 128.2109 60.4166 66.7454 180.0788 38 K 4.6374 9.4300 122.2612 54.6177 34.6712 178.8373 39 C 4.3643 8.8690 115.1857 58.5189 40.5433 169.6028 *40 H 4.0915 8.2518 128.1455 53.7226 26.5264 174.4812 41 P 4.7398 0.0000 0.0000 61.3741 32.3860 172.2115 *42 F 4.2787 9.1200 128.1615 57.5268 36.5701 175.6740 *43 Y 4.2055 7.9416 119.8052 59.2889 36.7531 178.8025 44 T 4.4652 7.3529 108.9011 58.8224 68.7306 177.3449 45 G 3.9759 8.3607 116.2947 44.3420 0.0000 170.8200 46 Q 4.4229 8.5691 125.4145 54.6822 28.0894 174.8817 47 Q 4.1052 7.5465 118.0701 59.2272 29.4682 184.7615 48 R 4.6356 7.2369 123.2505 55.6687 30.8065 178.8488 *49 F 4.5651 8.4862 119.5048 58.0480 41.7342 173.9093 *50 V 3.9936 8.1721 114.5150 62.5870 32.1236 173.2282 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 8.40 4.45 0.00 2.05 1.98 0.00 0.00 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.42 2.11 0.00 2 K 8.18 4.27 0.00 1.77 1.69 0.00 1.86 0.00 0.00 1.84 0.00 0.00 2.91 0.00 0.00 2.61 0.00 0.00 0.00 0.00 1.19 1.07 7.81 3 E 8.24 3.65 0.00 1.96 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 1.86 0.00 4 G 8.61 4.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 I 7.88 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 0.76 0.91 0.00 0.00 *6 H 7.11 4.63 0.00 3.02 2.90 0.00 7.16 0.00 0.00 0.00 0.00 6.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7 P 0.00 5.15 0.00 2.02 1.89 0.00 3.82 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 1.58 0.00 8 K 7.43 4.30 0.00 1.78 1.64 0.00 1.81 0.00 0.00 1.74 0.00 0.00 2.75 0.00 0.00 2.64 0.00 0.00 0.00 0.00 1.11 0.76 7.81 9 L 8.12 4.33 0.00 1.51 1.39 0.92 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 0.00 0.00 0.00 0.00 0.00 0.00 10 V 8.93 3.61 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 0.82 0.00 0.00 0.93 0.00 0.00 11 P 0.00 5.03 0.00 1.92 1.97 0.00 3.70 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 1.91 1.55 0.00 12 A 8.33 4.63 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 13 R 9.48 4.46 0.00 1.62 1.43 0.00 3.27 0.00 0.00 3.20 7.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 1.40 0.00 14 I 9.24 3.95 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 1.27 1.10 0.91 0.00 0.00 15 I 7.73 4.22 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 1.10 0.91 0.00 0.00 16 C 7.88 3.24 0.00 2.73 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 17 G 8.70 3.85 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 0.00 0.00 0.00 18 C 7.78 4.56 0.00 2.75 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 G 7.96 3.84 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 0.00 0.00 0.00 0.00 0.00 0.00 20 N 8.21 4.48 0.00 2.66 2.83 0.00 0.00 6.88 7.67 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 21 V 7.80 3.84 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 22 I 7.69 3.87 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 1.10 0.91 0.00 0.00 23 E 7.93 5.23 0.00 1.96 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 2.01 1.91 0.00 24 T 7.50 4.71 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 *25 Y 7.95 4.75 0.00 2.32 1.43 0.00 0.00 0.00 0.00 0.00 0.00 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 S 8.68 4.80 0.00 3.62 3.74 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 27 T 8.38 3.83 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 28 K 9.19 4.38 0.00 1.77 1.65 0.00 1.92 0.00 0.00 1.74 0.00 0.00 2.96 0.00 0.00 2.70 0.00 0.00 0.00 0.00 1.33 0.99 7.81 29 P 0.00 4.20 0.00 2.11 2.07 0.00 3.72 0.00 0.00 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 1.56 0.00 30 E 8.42 3.99 0.00 1.98 1.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.24 1.90 0.00 31 I 8.21 3.61 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 0.95 0.91 0.00 0.00 *32 Y 7.48 4.68 0.00 2.28 1.43 0.00 0.00 0.00 0.00 0.00 0.00 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 8.56 4.70 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 0.90 0.00 0.00 0.93 0.00 0.00 34 E 8.02 4.80 0.00 1.92 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 2.11 1.83 0.00 35 V 8.99 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 0.86 0.00 0.00 0.93 0.00 0.00 36 C 8.35 4.45 0.00 2.80 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 S 8.74 4.40 0.00 3.56 3.07 0.00 0.00 0.00 0.00 0.00 0.00 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 K 9.43 4.64 0.00 1.74 1.61 0.00 1.76 0.00 0.00 1.74 0.00 0.00 2.80 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.26 0.97 7.81 39 C 8.87 4.36 0.00 2.72 3.01 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 *40 H 8.25 4.09 0.00 3.09 3.02 0.00 7.16 0.00 0.00 0.00 0.00 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 41 P 0.00 4.74 0.00 2.08 1.85 0.00 3.79 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 1.88 1.57 0.00 *42 F 9.12 4.28 0.00 2.38 2.46 0.00 0.00 0.00 0.00 0.00 0.00 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 Y 7.94 4.21 0.00 2.32 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 0.00 0.00 0.00 0.00 44 T 7.35 4.47 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 45 G 8.36 3.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 Q 8.57 4.42 0.00 2.07 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.47 7.01 0.00 0.00 0.00 0.00 0.00 2.20 1.90 0.00 47 Q 7.55 4.11 0.00 2.06 1.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.05 6.75 0.00 0.00 0.00 0.00 0.00 2.28 1.94 0.00 48 R 7.24 4.64 0.00 1.75 1.13 0.00 3.26 0.00 0.00 3.26 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 1.17 0.00 *49 F 8.49 4.57 0.00 2.25 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 *50 V 8.17 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 0.82 0.00 0.00 0.93 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.