NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 S 4.5374 8.3344 116.8154 58.4684 64.3373 172.4856 2 V 4.2101 8.4094 124.5285 59.3759 33.2996 173.0716 3 C 4.8028 8.8560 122.4901 56.8546 33.2573 173.7476 4 A 4.6189 8.1294 122.9828 50.5969 17.1754 175.9201 5 A 4.9460 7.5923 123.6849 49.3019 22.3242 177.0803 6 Q 4.1693 8.8530 120.3059 58.8668 29.0127 178.0759 7 N 4.8903 7.7996 114.5043 51.5376 38.5744 172.4118 8 C 4.6661 7.8400 120.3777 57.4506 33.8715 172.5009 9 Q 4.5433 8.2121 122.4591 54.0270 31.2753 175.8625 10 R 4.2669 8.2299 121.9289 54.2513 29.7082 174.5070 11 P 4.1898 0.0000 0.0000 65.9218 31.7808 178.0303 12 C 4.1143 8.1270 112.8598 59.7099 25.7717 173.5808 13 K 4.3258 7.3269 118.2946 55.5134 32.4391 175.9992 14 D 4.3293 8.2859 118.0237 57.5203 40.9600 176.9847 15 K 4.6195 7.7472 118.2293 54.7595 35.1829 176.3364 16 V 4.5534 8.4416 116.5373 59.5300 34.9992 174.6379 17 D 5.2254 8.4220 122.1498 52.9953 43.0251 175.4580 18 W 5.4848 8.9836 120.4083 55.2420 33.4039 174.7391 19 V 4.8778 9.4537 120.5056 61.5473 34.8285 173.6860 20 Q 4.3188 8.5827 127.3984 54.1991 30.6187 174.2734 21 C 4.5904 8.0146 126.1675 59.0069 32.8402 173.4254 22 D 4.7950 9.1910 125.3385 54.2513 40.7359 176.9977 23 G 3.8894 8.7091 106.2958 44.9134 0.0000 173.4079 24 G 3.6173 8.1587 114.0679 45.9320 0.0000 176.3565 25 C 4.1902 8.1843 115.4117 59.0267 30.0239 173.7106 26 D 4.3362 7.0107 115.2879 53.6365 38.9998 173.2160 27 E 4.3736 7.2111 117.4082 55.1430 31.7981 175.1448 28 W 4.9461 8.3724 120.6120 55.5496 31.5929 175.4856 29 F 5.4131 9.3566 121.5858 56.1904 43.4019 173.3149 30 H 4.9937 8.5958 116.0936 54.3946 30.3914 176.7591 31 Q 4.0358 8.6024 121.6248 59.3158 28.8226 179.8577 32 V 3.6836 7.7654 110.9891 64.0131 31.8401 177.7348 33 C 4.3291 7.8409 113.4759 59.3982 29.9862 174.6567 34 V 4.1114 7.7042 118.2138 60.5287 31.3126 175.4610 35 G 3.8333 7.3808 105.7083 46.9984 0.0000 174.3535 36 V 3.8933 8.1167 117.9529 61.0886 33.1883 174.7897 37 S 4.7623 8.0588 121.7329 55.9194 65.1625 173.0683 38 P 4.9315 0.0000 0.0000 65.8941 30.5370 178.4622 39 E 3.9885 8.1332 117.6262 59.1240 29.3665 179.2360 40 M 4.0106 8.1527 118.6268 58.4769 31.9289 178.7769 41 A 4.2531 7.8148 118.7588 54.6650 18.7149 178.6237 42 E 4.2563 8.0211 115.4251 57.7509 29.8590 177.9340 43 N 4.6959 7.6474 115.6353 53.9121 39.6759 174.7968 44 E 4.8239 7.7023 117.1158 53.7757 32.8408 175.5264 45 D 4.5228 8.6066 120.2884 55.0787 41.6918 175.3447 46 Y 4.8298 8.9148 124.2346 56.0989 40.7775 174.2732 47 I 4.4542 7.7061 127.7561 59.0660 39.4718 175.4670 48 C 3.9158 8.1208 122.3987 57.4046 29.9403 174.8743 49 I 3.7693 7.9969 114.0203 63.8340 36.8097 177.9648 50 N 4.4432 8.0013 117.5732 55.7562 38.6064 175.9571 51 C 4.2661 7.7352 115.5626 60.3414 28.8239 173.5936 *52 A 4.0695 7.2275 127.2756 52.2983 18.5408 176.2061 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 S 8.33 4.54 0.00 4.29 4.20 0.00 0.00 0.00 0.00 0.00 0.00 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 V 8.41 4.21 2.15 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 0.85 0.00 0.00 0.97 0.00 0.00 3 C 8.86 4.80 0.00 3.37 2.61 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 0.00 0.00 0.00 0.00 4 A 8.13 4.62 1.34 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 0.00 0.00 0.00 0.00 0.00 0.00 5 A 7.59 4.95 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 6 Q 8.85 4.17 0.00 2.04 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.26 7.19 0.00 0.00 0.00 0.00 0.00 2.39 2.39 0.00 7 N 7.80 4.89 0.00 2.61 2.68 0.00 0.00 6.81 7.64 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 8 C 7.84 4.67 0.00 3.07 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 9 Q 8.21 4.54 0.00 1.95 1.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.29 6.75 0.00 0.00 0.00 0.00 0.00 2.21 2.26 0.00 10 R 8.23 4.27 0.00 1.75 1.86 0.00 3.25 0.00 0.00 3.29 7.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.79 0.00 11 P 0.00 4.19 0.00 2.19 2.15 0.00 3.72 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 1.95 1.66 0.00 12 C 8.13 4.11 0.00 3.13 3.06 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 13 K 7.33 4.33 0.00 1.80 1.79 0.00 1.73 0.00 0.00 1.69 0.00 0.00 3.00 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.47 1.54 7.81 14 D 8.29 4.33 0.00 2.65 2.69 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 0.00 0.00 0.00 15 K 7.75 4.62 0.00 1.71 1.72 0.00 1.70 0.00 0.00 1.71 0.00 0.00 3.02 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.35 1.44 7.81 16 V 8.44 4.55 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 0.70 0.00 0.00 1.06 0.00 0.00 17 D 8.42 5.23 0.00 2.65 2.67 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 0.00 0.00 0.00 0.00 18 W 8.98 5.48 0.00 3.00 3.39 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 19 V 9.45 4.88 2.31 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 1.17 0.00 0.00 1.09 0.00 0.00 20 Q 8.58 4.32 0.00 0.93 1.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 6.46 0.00 0.00 0.00 0.00 0.00 1.65 1.28 0.00 21 C 8.01 4.59 0.00 3.27 2.69 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 0.00 0.00 0.00 22 D 9.19 4.80 0.00 2.61 2.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 23 G 8.71 3.89 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 0.00 0.00 0.00 24 G 8.16 3.62 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 0.00 0.00 0.00 25 C 8.18 4.19 0.00 3.13 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 26 D 7.01 4.34 0.00 2.61 2.55 0.00 0.00 0.00 0.00 0.00 0.00 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 7.21 4.37 0.00 1.75 1.73 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 2.25 2.49 0.00 28 W 8.37 4.95 0.00 3.46 3.47 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 0.00 29 F 9.36 5.41 0.00 3.06 2.95 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 0.00 0.00 0.00 0.00 30 H 8.60 4.99 0.00 3.00 3.01 0.00 5.83 0.00 0.00 0.00 0.00 6.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 31 Q 8.60 4.04 0.00 2.07 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.23 6.89 0.00 0.00 0.00 0.00 0.00 2.48 2.41 0.00 32 V 7.77 3.68 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 1.00 0.00 0.00 0.86 0.00 0.00 33 C 7.84 4.33 0.00 3.25 3.02 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 0.00 0.00 0.00 0.00 34 V 7.70 4.11 1.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.83 0.00 0.00 0.33 0.00 0.00 35 G 7.38 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 36 V 8.12 3.89 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 0.54 0.00 0.00 0.15 0.00 0.00 37 S 8.06 4.76 0.00 3.85 3.70 0.00 0.00 0.00 0.00 0.00 0.00 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 P 0.00 4.93 0.00 2.25 2.35 0.00 3.84 0.00 0.00 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 1.95 0.00 39 E 8.13 3.99 0.00 2.02 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 2.40 2.40 0.00 40 M 8.15 4.01 0.00 2.00 2.14 0.00 0.00 0.00 0.00 0.00 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.59 2.67 0.00 41 A 7.81 4.25 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 42 E 8.02 4.26 0.00 2.05 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 2.36 2.51 0.00 43 N 7.65 4.70 0.00 2.85 2.87 0.00 0.00 7.05 9.01 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 44 E 7.70 4.82 0.00 1.92 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 2.25 2.41 0.00 45 D 8.61 4.52 0.00 2.56 2.63 0.00 0.00 0.00 0.00 0.00 0.00 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 Y 8.91 4.83 0.00 3.15 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 47 I 7.71 4.45 1.73 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.71 0.80 0.00 0.00 48 C 8.12 3.92 0.00 2.68 2.72 0.00 0.00 0.00 0.00 0.00 0.00 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 I 8.00 3.77 1.84 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 1.60 0.58 0.88 0.00 0.00 50 N 8.00 4.44 0.00 2.70 2.92 0.00 0.00 6.90 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 51 C 7.74 4.27 0.00 2.99 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 *52 A 7.23 4.07 1.28 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 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.