NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 S 4.3873 8.3349 115.2915 57.9103 62.3037 172.9710 3 S 4.3075 8.1886 122.8687 57.5721 64.4878 171.2506 4 D 4.8620 9.4427 121.0816 53.1155 44.4118 174.8781 5 Y 4.9795 8.7227 121.1411 57.1781 40.4630 175.3536 6 V 5.1037 8.6647 121.1029 60.6674 35.7773 172.8597 *8 A 4.5966 8.5165 120.3429 52.3573 19.9890 177.1559 9 T 4.5692 8.6720 113.5589 60.6335 70.6386 176.1203 10 K 3.8504 9.4428 125.3817 59.7321 32.1163 177.6546 11 D 4.4392 7.9387 114.8688 54.1981 39.5875 176.6831 12 G 4.0821 8.0577 108.6405 45.4892 0.0000 175.2581 13 R 4.2337 7.8291 123.4992 55.7755 30.7111 175.3078 *15 I 4.0819 8.1167 120.9837 62.1959 38.3722 174.3972 16 L 4.6422 8.3765 124.7283 53.5347 43.0003 176.0305 17 T 4.9910 8.1121 111.9734 60.2427 71.5123 174.2115 18 D 4.5999 9.1496 125.2661 50.5972 39.5768 175.8402 19 G 4.0375 8.3870 108.9593 43.3720 0.0000 171.0660 20 K 2.4800 8.0290 120.4073 55.4133 32.2257 174.9955 21 P 4.5488 0.0000 0.0000 62.6362 32.6668 175.5933 22 E 4.4563 9.3855 123.2947 54.4978 31.7163 174.9697 23 I 4.2967 8.3255 128.9583 60.9028 38.1961 175.5511 24 D 4.7044 9.0234 129.0195 52.7597 41.2019 176.7064 25 D 4.6291 8.7293 126.0285 56.1813 41.2548 177.6306 26 D 4.5883 8.1777 118.8770 55.7434 41.2474 177.2567 27 T 4.3541 8.1068 107.1633 60.7291 70.8990 174.8511 28 G 3.9050 9.0087 110.3956 45.5589 0.0000 172.2360 29 L 5.0332 7.7572 117.6055 52.4229 46.2002 175.7897 30 V 4.6435 8.7716 122.6971 61.6310 33.2831 174.4838 31 S 5.1336 8.8077 125.3461 57.5305 64.5694 173.2852 32 Y 4.8700 7.9043 120.6857 56.5945 41.7433 172.5577 33 H 5.7033 9.1127 115.5130 53.5280 31.8161 174.6417 34 D 5.3683 8.3366 121.4246 52.6544 42.1137 175.5866 35 Q 4.3043 8.4267 114.8541 56.3884 28.7522 177.0568 36 Q 4.4241 8.4366 112.0865 56.2191 32.4098 177.5362 37 G 3.9550 8.0256 106.5029 45.7504 0.0000 174.4739 38 N 4.2927 7.5913 118.4537 53.0747 38.9953 174.9524 39 A 4.8789 8.0133 124.8076 51.0590 19.6850 176.4195 *41 Q 4.4259 8.1387 117.3298 56.0306 30.0967 175.0847 42 I 4.7467 8.3924 121.4450 58.9998 42.2434 174.0267 43 N 4.7172 8.8883 126.0518 53.5283 38.9814 175.9630 44 R 4.1102 8.8413 124.4318 59.3716 30.4195 177.9832 45 D 4.3673 8.1199 116.1957 57.0364 41.3595 176.3569 46 D 4.5633 8.6536 117.5739 54.5923 41.3060 175.6034 47 V 4.6185 7.3833 120.2742 61.4066 32.7199 175.4313 48 S 4.4158 9.1619 124.5617 60.8248 63.2560 174.4481 49 Q 4.6785 7.6623 115.9724 54.0925 32.8009 174.3793 50 I 4.4750 8.4269 122.2827 59.7590 39.5491 174.8632 51 I 4.4304 9.1356 128.8278 59.3994 39.5739 174.2630 52 E 4.0941 8.7347 128.1869 54.3363 31.0802 174.7845 53 R 4.3756 8.5877 129.0286 54.6335 31.4397 175.4149 54 L 4.4157 8.4225 127.1975 54.4737 42.4484 176.5963 55 E 4.4808 8.4472 120.2671 55.2035 31.5053 175.2420 56 H 4.7735 8.2364 116.6372 54.3126 32.3880 173.3273 57 H 4.4874 8.7786 120.3759 56.2095 28.5167 175.2568 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 2 S 8.33 4.39 0.00 3.87 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 3 S 8.19 4.31 0.00 3.46 3.57 0.00 0.00 0.00 0.00 0.00 0.00 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 D 9.44 4.86 0.00 2.45 2.49 0.00 0.00 0.00 0.00 0.00 0.00 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 Y 8.72 4.98 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 V 8.66 5.10 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 1.30 0.00 0.00 0.92 0.00 0.00 *8 A 8.52 4.60 1.27 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 0.00 0.00 0.00 9 T 8.67 4.57 4.35 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 1.18 0.00 0.00 10 K 9.44 3.85 0.00 1.62 2.05 0.00 1.82 0.00 0.00 1.76 0.00 0.00 3.05 0.00 0.00 3.13 0.00 0.00 0.00 0.00 1.46 1.54 7.81 11 D 7.94 4.44 0.00 2.83 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 8.06 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 0.00 0.00 0.00 13 R 7.83 4.23 0.00 1.90 1.79 0.00 3.17 0.00 0.00 3.17 7.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.60 0.00 *15 I 8.12 4.08 1.66 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 1.39 1.16 0.88 0.00 0.00 16 L 8.38 4.64 0.00 1.76 1.61 0.93 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 17 T 8.11 4.99 4.47 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 0.93 0.00 0.00 18 D 9.15 4.60 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 19 G 8.39 4.04 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 0.00 0.00 0.00 0.00 0.00 0.00 20 K 8.03 2.48 0.00 0.79 1.33 0.00 1.68 0.00 0.00 1.55 0.00 0.00 2.88 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.08 0.83 7.81 21 P 0.00 4.55 0.00 1.90 1.95 0.00 3.38 0.00 0.00 3.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 1.99 0.00 22 E 9.39 4.46 0.00 1.91 1.77 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 2.16 2.21 0.00 23 I 8.33 4.30 1.86 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 1.23 0.64 0.95 0.00 0.00 24 D 9.02 4.70 0.00 2.73 2.64 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 25 D 8.73 4.63 0.00 2.71 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 26 D 8.18 4.59 0.00 2.87 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 27 T 8.11 4.35 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 1.24 0.00 0.00 28 G 9.01 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 29 L 7.76 5.03 0.00 1.57 1.54 0.99 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.00 0.00 0.00 0.00 0.00 0.00 30 V 8.77 4.64 2.26 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 1.01 0.00 0.00 0.95 0.00 0.00 31 S 8.81 5.13 0.00 3.81 3.71 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 32 Y 7.90 4.87 0.00 3.01 2.97 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 33 H 9.11 5.70 0.00 3.30 3.18 0.00 5.90 0.00 0.00 0.00 0.00 6.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 34 D 8.34 5.37 0.00 2.98 3.03 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 0.00 0.00 0.00 0.00 35 Q 8.43 4.30 0.00 2.10 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.91 7.10 0.00 0.00 0.00 0.00 0.00 2.39 2.43 0.00 36 Q 8.44 4.42 0.00 2.25 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.05 5.65 0.00 0.00 0.00 0.00 0.00 2.29 2.32 0.00 37 G 8.03 3.95 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 0.00 0.00 0.00 38 N 7.59 4.29 0.00 2.72 2.70 0.00 0.00 6.75 7.89 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 39 A 8.01 4.88 1.21 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 0.00 0.00 *41 Q 8.14 4.43 0.00 1.96 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.81 6.66 0.00 0.00 0.00 0.00 0.00 2.21 2.31 0.00 42 I 8.39 4.75 2.08 0.00 0.00 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 1.27 1.81 1.04 0.00 0.00 43 N 8.89 4.72 0.00 3.04 2.75 0.00 0.00 6.73 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 44 R 8.84 4.11 0.00 1.87 1.95 0.00 3.10 0.00 0.00 3.10 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.59 0.00 45 D 8.12 4.37 0.00 2.68 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 46 D 8.65 4.56 0.00 2.82 2.68 0.00 0.00 0.00 0.00 0.00 0.00 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 V 7.38 4.62 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 0.81 0.00 0.00 0.97 0.00 0.00 48 S 9.16 4.42 0.00 3.98 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 49 Q 7.66 4.68 0.00 1.86 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.91 6.74 0.00 0.00 0.00 0.00 0.00 2.25 2.36 0.00 50 I 8.43 4.48 1.91 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 1.35 0.87 1.00 0.00 0.00 51 I 9.14 4.43 1.92 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 0.77 0.87 0.00 0.00 52 E 8.73 4.09 0.00 1.85 1.71 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 1.80 1.47 0.00 53 R 8.59 4.38 0.00 1.78 1.78 0.00 3.11 0.00 0.00 3.12 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.54 0.00 54 L 8.42 4.42 0.00 1.42 1.42 0.91 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 55 E 8.45 4.48 0.00 2.01 1.88 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 2.29 2.30 0.00 56 H 8.24 4.77 0.00 3.06 3.17 0.00 5.90 0.00 0.00 0.00 0.00 6.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 57 H 8.78 4.49 0.00 3.16 3.19 0.00 5.73 0.00 0.00 0.00 0.00 6.91 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.