NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 12 F 5.0524 8.3093 115.8693 57.0429 39.1440 173.3459 13 T 4.8143 8.2136 111.5568 58.5242 72.1691 171.8033 14 F 5.1119 8.2282 114.4721 56.4027 40.8031 174.1564 15 E 4.5288 8.7865 121.2202 54.7877 33.3434 174.1713 16 I 4.1183 8.3415 127.9082 61.1336 36.7129 175.4258 17 E 4.2095 8.8421 128.2351 58.1904 30.4464 177.1259 18 E 4.5564 7.7520 119.2898 54.8946 33.4797 173.2105 19 H 4.8271 8.7262 126.5740 55.2499 30.4038 173.8652 20 L 4.4135 8.4329 125.5944 56.3822 42.9911 176.8505 21 L 4.5273 7.8181 118.9861 54.0985 46.0502 173.9279 22 T 4.9590 8.5208 121.7533 62.2282 69.7108 174.3008 23 L 4.5169 9.1052 126.9826 56.6036 43.0753 176.5674 24 S 4.6851 7.5493 111.2521 58.3110 65.2635 175.2168 25 E 5.0877 8.2301 119.5299 54.5494 32.6506 173.7353 26 N 4.9668 8.7883 121.6074 50.5908 39.8858 175.1633 27 E 3.9281 8.6409 117.9644 58.8898 29.6445 177.3992 28 K 4.2226 8.0695 115.9529 56.7128 32.3593 177.8266 29 G 4.1029 8.4923 108.2520 44.7192 0.0000 174.0882 30 W 4.6159 8.3732 119.9747 56.8766 30.5404 175.1543 31 T 5.1564 9.1998 112.9666 59.8842 71.9904 172.5630 32 K 5.1079 8.9876 125.4309 55.3614 33.8862 175.0127 33 E 5.2761 9.4746 126.2650 54.7576 34.5082 174.8622 34 I 4.8248 8.7358 123.2565 60.2431 39.0567 174.7080 35 N 5.3228 9.1997 123.8989 51.3588 43.4035 173.5963 36 R 4.5628 8.4880 119.1516 54.9082 32.0166 176.0120 37 V 4.6703 8.5113 124.3411 60.9623 34.6885 174.1118 38 S 4.8577 8.8709 123.2218 57.3456 64.0758 172.5009 39 F 5.3853 8.7108 124.8392 56.4072 41.9904 175.2414 40 N 4.3328 9.5746 120.3461 53.2797 36.6609 175.4365 41 G 3.8565 8.5420 102.4297 45.7708 0.0000 174.1745 42 A 4.4208 7.8315 122.3557 50.1943 19.5818 175.9693 43 P 4.4082 0.0000 0.0000 62.8224 31.8038 176.6133 44 A 4.2553 8.6636 124.7874 52.8503 19.0791 176.7936 45 K 4.6790 8.6029 117.6865 54.1368 37.1978 176.0705 46 F 4.4429 8.2720 120.1757 58.3553 40.3269 174.2563 47 D 5.2575 9.1730 121.7629 53.1962 45.0359 173.7149 48 I 5.6056 8.9030 127.1971 59.1581 40.0686 175.0061 49 R 4.8181 8.4786 121.6330 55.7048 32.4747 172.8478 50 A 5.2071 7.9852 121.6878 50.8614 19.9719 176.9694 51 W 4.7139 9.6258 123.0480 54.3065 32.8503 175.8460 52 S 2.7900 8.0099 118.6453 56.6851 63.3928 173.5337 53 P 4.0961 0.0000 0.0000 65.2177 31.0289 177.3295 54 D 4.6045 7.8245 114.2779 52.7588 39.6806 175.8382 55 H 4.2454 7.5704 114.9070 57.4808 26.5796 175.3959 56 T 4.5753 8.2341 107.9748 61.5287 69.5413 173.3642 57 K 4.5959 7.6964 123.3609 54.8861 36.1779 173.9762 *59 G 3.8712 8.1521 106.4694 45.3518 0.0000 172.2356 60 K 4.1298 8.4359 119.3489 56.6348 33.5675 176.7818 61 G 4.3158 7.8299 109.3590 46.0880 0.0000 171.8714 62 I 4.9132 8.2250 112.2355 59.3495 41.3498 174.4434 63 T 5.1979 8.5221 119.0545 61.9083 71.2215 173.6819 64 L 5.2505 9.1098 125.4655 52.7489 45.5199 176.8838 65 S 4.6733 9.8346 118.0258 57.7527 64.3413 174.9225 66 N 4.5472 9.0115 118.2302 56.8734 38.1221 177.2459 67 E 4.0787 8.2246 119.9501 58.9908 29.5809 178.5703 68 E 3.9715 8.0371 118.2708 59.3891 29.6663 178.6940 69 F 4.0016 8.2620 119.5795 61.2933 39.6640 176.8812 70 Q 4.2197 8.1623 117.3114 58.7948 28.0243 178.4801 71 T 3.8940 7.8814 113.6055 64.9362 68.5052 175.9746 *73 V 3.7918 7.7126 122.9193 61.7790 33.3201 177.4744 74 D 4.3935 7.8820 118.9074 56.9690 40.7355 177.6052 75 A 3.9484 7.3914 120.7804 53.8773 18.4553 177.9172 76 F 4.6953 7.9182 111.8445 57.4753 40.5783 175.5911 77 K 4.1218 7.7207 125.3838 56.7350 32.2232 175.0773 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 12 F 8.31 5.05 0.00 3.46 3.22 0.00 0.00 0.00 0.00 0.00 0.00 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 T 8.21 4.81 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 1.22 0.00 0.00 14 F 8.23 5.11 0.00 2.65 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 15 E 8.79 4.53 0.00 1.96 1.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.23 2.23 0.00 16 I 8.34 4.12 1.57 0.00 0.00 -0.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.87 0.34 0.64 0.00 0.00 17 E 8.84 4.21 0.00 1.74 1.91 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 2.39 2.31 0.00 18 E 7.75 4.56 0.00 1.88 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 0.00 2.19 2.23 0.00 19 H 8.73 4.83 0.00 3.00 3.12 0.00 5.96 0.00 0.00 0.00 0.00 6.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 20 L 8.43 4.41 0.00 1.74 1.70 0.92 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 21 L 7.82 4.53 0.00 1.77 1.48 0.95 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.00 0.00 0.00 0.00 0.00 0.00 22 T 8.52 4.96 4.32 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 1.34 0.00 0.00 23 L 9.11 4.52 0.00 1.65 1.76 0.99 0.92 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 24 S 7.55 4.69 0.00 3.88 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 25 E 8.23 5.09 0.00 2.02 1.81 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 2.33 2.55 0.00 26 N 8.79 4.97 0.00 2.97 2.97 0.00 0.00 6.75 8.18 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 27 E 8.64 3.93 0.00 1.96 2.04 0.00 0.00 0.00 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 2.35 0.00 28 K 8.07 4.22 0.00 1.98 1.98 0.00 1.65 0.00 0.00 1.65 0.00 0.00 3.06 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.37 1.45 7.81 29 G 8.49 4.10 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 30 W 8.37 4.62 0.00 3.45 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 31 T 9.20 5.16 4.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.00 0.00 32 K 8.99 5.11 0.00 1.96 1.82 0.00 1.62 0.00 0.00 1.70 0.00 0.00 2.91 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.46 1.50 7.81 33 E 9.47 5.28 0.00 2.17 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 2.38 2.46 0.00 34 I 8.74 4.82 1.98 0.00 0.00 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.76 1.12 0.00 0.00 35 N 9.20 5.32 0.00 2.65 2.70 0.00 0.00 6.52 7.19 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 36 R 8.49 4.56 0.00 1.51 1.58 0.00 2.21 0.00 0.00 2.25 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 1.51 0.00 37 V 8.51 4.67 2.07 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 0.42 0.00 0.00 1.07 0.00 0.00 38 S 8.87 4.86 0.00 3.93 3.64 0.00 0.00 0.00 0.00 0.00 0.00 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 F 8.71 5.39 0.00 3.05 2.91 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 40 N 9.57 4.33 0.00 2.97 2.97 0.00 0.00 7.00 6.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 41 G 8.54 3.86 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 0.00 0.00 0.00 42 A 7.83 4.42 1.39 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 43 P 0.00 4.41 0.00 1.96 2.02 0.00 3.74 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 2.05 2.13 0.00 44 A 8.66 4.26 1.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 45 K 8.60 4.68 0.00 1.82 1.99 0.00 1.78 0.00 0.00 1.74 0.00 0.00 2.91 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.41 1.62 7.81 46 F 8.27 4.44 0.00 3.09 2.84 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 47 D 9.17 5.26 0.00 2.88 2.66 0.00 0.00 0.00 0.00 0.00 0.00 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 I 8.90 5.61 1.98 0.00 0.00 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 1.46 1.02 0.00 0.00 49 R 8.48 4.82 0.00 1.83 1.99 0.00 3.48 0.00 0.00 2.67 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.77 0.00 50 A 7.99 5.21 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 51 W 9.63 4.71 0.00 3.12 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 52 S 8.01 2.79 0.00 3.23 2.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53 P 0.00 4.10 0.00 2.01 2.13 0.00 3.44 0.00 0.00 3.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.14 0.00 54 D 7.82 4.60 0.00 2.74 2.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 55 H 7.57 4.25 0.00 3.20 3.24 0.00 5.83 0.00 0.00 0.00 0.00 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 56 T 8.23 4.58 4.31 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 1.31 0.00 0.00 57 K 7.70 4.60 0.00 1.81 1.55 0.00 1.65 0.00 0.00 1.78 0.00 0.00 3.18 0.00 0.00 3.16 0.00 0.00 0.00 0.00 1.68 1.79 7.81 *59 G 8.15 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 K 8.44 4.13 0.00 1.69 1.69 0.00 1.67 0.00 0.00 1.78 0.00 0.00 2.82 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.48 1.40 7.81 61 G 7.83 4.32 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 0.00 62 I 8.22 4.91 1.92 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.74 0.91 0.00 0.00 63 T 8.52 5.20 4.27 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 1.43 0.00 0.00 64 L 9.11 5.25 0.00 1.83 1.70 1.17 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 65 S 9.83 4.67 0.00 4.03 4.08 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 0.00 0.00 0.00 0.00 66 N 9.01 4.55 0.00 2.89 3.07 0.00 0.00 6.45 7.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 67 E 8.22 4.08 0.00 2.05 1.98 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 2.41 2.37 0.00 68 E 8.04 3.97 0.00 2.34 2.06 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 2.38 2.36 0.00 69 F 8.26 4.00 0.00 2.81 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 70 Q 8.16 4.22 0.00 2.17 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.75 0.00 0.00 0.00 0.00 0.00 2.79 2.56 0.00 71 T 7.88 3.89 4.39 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 1.19 0.00 0.00 *73 V 7.71 3.79 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 0.86 0.00 0.00 0.92 0.00 0.00 74 D 7.88 4.39 0.00 2.80 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 75 A 7.39 3.95 0.88 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 0.00 0.00 76 F 7.92 4.70 0.00 3.00 3.05 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 77 K 7.72 4.12 0.00 1.74 1.63 0.00 1.74 0.00 0.00 1.76 0.00 0.00 3.15 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.37 1.44 7.81 * Residues marked with a * may have inaccurate shift predictions.