NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 7 S 4.5002 8.3349 115.3057 57.6939 63.8230 173.3910 8 D 4.6852 8.4785 126.1196 53.1801 41.8844 174.4164 9 F 5.4308 8.9574 116.3551 55.7860 41.9385 173.3953 10 V 4.5338 8.9415 112.7144 59.5898 35.3976 174.7903 11 V 4.8178 8.7470 125.0416 61.5013 33.5650 174.4245 12 I 5.0257 9.3185 128.9467 59.3563 40.4076 174.1742 13 K 5.0224 9.2428 128.8609 54.3276 34.5502 174.9439 14 A 4.4256 9.0328 130.5449 52.0305 19.3129 177.3931 15 L 4.6845 8.9970 121.9067 54.4878 42.5650 175.7527 16 E 4.7453 7.6715 115.7388 55.0605 32.3843 174.5714 17 D 4.3293 8.5942 120.1557 55.0670 41.6980 176.6948 18 G 3.8180 8.5798 108.6708 46.2169 0.0000 174.0178 19 V 3.9579 7.6923 119.7819 62.6346 32.9230 174.4860 20 N 5.4023 9.0444 124.3101 51.4020 41.6856 173.4802 21 V 4.6173 8.7054 123.9013 61.2448 33.8500 174.1763 22 I 4.7388 8.6397 129.3565 59.3624 40.0471 174.8067 23 G 4.2192 8.7233 114.3187 44.8286 0.0000 172.3831 24 L 5.5681 8.6578 124.7902 52.8370 44.3089 176.2411 25 T 4.5717 8.6278 114.0693 61.7449 69.5369 174.1963 26 R 4.3866 7.7379 125.3870 56.1474 30.7336 175.7280 27 G 3.8123 8.9009 110.4361 43.7311 0.0000 173.6772 28 A 4.0414 8.5576 121.9388 54.4913 18.5359 177.8371 29 D 4.9110 7.2355 111.1521 53.0808 42.7533 176.1768 30 T 4.7613 8.2601 118.0174 61.9574 71.4476 173.2744 31 R 4.5928 8.9124 122.2089 54.3153 33.8328 174.1325 32 F 5.2964 8.3761 118.8632 57.9717 38.9802 175.3412 33 H 4.9400 9.0481 118.8910 56.4418 30.2873 174.3278 34 H 4.7403 7.6242 116.9309 55.1721 33.2461 172.1788 35 S 4.7905 8.2059 118.9247 56.5056 64.9535 172.2770 36 E 4.4828 8.9971 129.4126 54.5488 31.0443 174.5650 37 K 4.7675 8.5931 128.6243 55.7021 33.7586 175.5541 38 L 4.9420 9.0115 126.8310 53.1956 45.0025 176.1630 39 D 4.9799 9.1584 124.0010 52.2549 43.4500 175.9731 40 K 4.0127 8.4808 121.4695 58.4515 32.2897 177.0945 41 G 4.0036 9.2348 115.3706 45.2533 0.0000 173.4641 42 E 4.3387 7.9800 119.5112 56.1328 30.8933 176.0015 43 V 4.9420 8.2494 121.2981 61.0519 34.8563 174.3014 44 L 4.7948 9.2935 128.6323 53.2749 45.1988 174.8494 45 I 4.9675 8.5382 126.3565 59.5880 39.2515 174.8069 46 A 4.6717 8.8953 128.7775 50.2151 21.9731 175.4108 47 Q 4.8428 8.6953 121.3279 55.0965 30.4198 175.7082 48 F 4.6295 8.7112 120.1974 57.7713 38.7735 175.2306 49 T 4.7090 8.9280 111.0235 60.0913 71.9485 174.0271 50 E 4.1596 8.9135 121.3670 59.2419 29.6154 177.0957 51 H 4.6508 7.8275 113.9118 55.9879 29.9933 174.1462 52 T 5.1637 8.2109 116.8774 61.8468 71.3904 174.2997 53 S 5.1455 9.0265 119.5882 57.9450 64.8570 173.3708 54 A 5.1195 8.0069 121.5011 51.1436 22.6024 175.2411 55 I 4.9058 8.6229 121.3275 59.3028 40.3772 174.7303 56 K 4.5474 9.0231 128.4450 54.5151 34.5532 174.6512 57 V 4.7607 8.3813 126.8060 61.1533 33.6432 174.6047 58 R 4.5475 8.8350 126.7330 55.2241 33.0818 175.3393 59 G 4.1149 9.0247 109.3077 43.6393 0.0000 172.9655 60 K 4.4049 9.5168 121.2687 56.3374 33.0308 175.6477 61 A 5.1425 8.9357 128.6434 50.5513 23.3968 173.6573 62 Y 4.8407 9.0126 122.1667 56.2038 40.8032 174.4870 63 I 5.0140 8.3410 127.4611 59.5390 40.8150 174.3550 64 Q 4.9279 8.8706 125.7568 55.7082 31.7643 173.2769 65 T 4.2466 9.1168 110.4864 62.6561 69.9328 175.5771 *67 H 4.7533 9.7338 119.8082 54.3276 31.9010 172.8134 68 G 3.6588 6.6575 105.6879 44.2227 0.0000 172.1841 69 V 4.6209 7.9386 120.4290 61.2035 34.0937 176.7146 70 I 4.4384 8.5085 126.6438 59.5014 41.1838 173.2772 71 E 4.9849 9.7280 130.0009 53.6690 32.4746 175.4724 72 S 4.6666 8.4588 122.2989 58.9715 65.2523 175.9820 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 7 S 8.33 4.50 0.00 3.92 3.93 0.00 0.00 0.00 0.00 0.00 0.00 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 D 8.48 4.69 0.00 2.85 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 9 F 8.96 5.43 0.00 3.09 2.98 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 10 V 8.94 4.53 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 0.68 0.00 0.00 0.88 0.00 0.00 11 V 8.75 4.82 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.07 0.00 0.00 1.16 0.00 0.00 12 I 9.32 5.03 1.88 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 1.09 0.43 0.92 0.00 0.00 13 K 9.24 5.02 0.00 1.87 1.79 0.00 1.53 0.00 0.00 1.55 0.00 0.00 2.82 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.34 1.36 7.81 14 A 9.03 4.43 1.35 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 0.00 0.00 0.00 15 L 9.00 4.68 0.00 1.60 1.71 1.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 0.00 0.00 0.00 0.00 0.00 0.00 16 E 7.67 4.75 0.00 1.92 1.89 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 2.19 2.33 0.00 17 D 8.59 4.33 0.00 2.58 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 18 G 8.58 3.82 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19 V 7.69 3.96 2.20 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 0.96 0.00 0.00 0.93 0.00 0.00 20 N 9.04 5.40 0.00 2.62 2.57 0.00 0.00 6.37 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 21 V 8.71 4.62 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 0.90 0.00 0.00 22 I 8.64 4.74 1.41 0.00 0.00 0.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.83 0.42 0.12 0.00 0.00 23 G 8.72 4.22 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 0.00 0.00 0.00 24 L 8.66 5.57 0.00 1.93 1.70 1.05 0.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 0.00 0.00 0.00 0.00 0.00 0.00 25 T 8.63 4.57 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 1.36 0.00 0.00 26 R 7.74 4.39 0.00 1.93 2.01 0.00 3.23 0.00 0.00 3.08 7.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.45 0.00 27 G 8.90 3.81 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 0.00 0.00 0.00 0.00 0.00 0.00 28 A 8.56 4.04 1.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 D 7.24 4.91 0.00 2.74 2.59 0.00 0.00 0.00 0.00 0.00 0.00 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 T 8.26 4.76 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 1.25 0.00 0.00 31 R 8.91 4.59 0.00 1.74 1.92 0.00 2.79 0.00 0.00 3.18 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.65 0.00 32 F 8.38 5.30 0.00 2.93 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 33 H 9.05 4.94 0.00 3.13 3.49 0.00 5.79 0.00 0.00 0.00 0.00 6.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 34 H 7.62 4.74 0.00 3.33 3.12 0.00 5.80 0.00 0.00 0.00 0.00 6.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 35 S 8.21 4.79 0.00 3.71 3.58 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 0.00 0.00 0.00 36 E 9.00 4.48 0.00 2.17 1.78 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 2.24 2.28 0.00 37 K 8.59 4.77 0.00 1.78 1.66 0.00 1.75 0.00 0.00 1.69 0.00 0.00 2.95 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.37 1.45 7.81 38 L 9.01 4.94 0.00 1.54 1.51 0.92 0.91 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 39 D 9.16 4.98 0.00 2.59 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 40 K 8.48 4.01 0.00 1.72 1.74 0.00 1.81 0.00 0.00 1.70 0.00 0.00 3.23 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.45 1.45 7.81 41 G 9.23 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 7.98 4.34 0.00 2.09 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 2.32 2.33 0.00 43 V 8.25 4.94 2.09 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 0.85 0.00 0.00 0.94 0.00 0.00 44 L 9.29 4.79 0.00 1.70 1.45 0.91 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 0.00 0.00 0.00 0.00 0.00 0.00 45 I 8.54 4.97 1.82 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 1.30 0.69 0.89 0.00 0.00 46 A 8.90 4.67 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 47 Q 8.70 4.84 0.00 1.97 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.78 6.94 0.00 0.00 0.00 0.00 0.00 2.42 2.38 0.00 48 F 8.71 4.63 0.00 3.00 2.98 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 49 T 8.93 4.71 4.30 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 1.27 0.00 0.00 50 E 8.91 4.16 0.00 1.93 2.01 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 2.05 2.28 0.00 51 H 7.83 4.65 0.00 3.37 3.24 0.00 5.80 0.00 0.00 0.00 0.00 6.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 52 T 8.21 5.16 4.33 0.00 0.00 0.00 0.00 0.00 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 53 S 9.03 5.15 0.00 3.86 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 54 A 8.01 5.12 1.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 I 8.62 4.91 1.77 0.00 0.00 0.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.06 0.53 0.81 0.00 0.00 56 K 9.02 4.55 0.00 1.73 1.43 0.00 1.63 0.00 0.00 1.39 0.00 0.00 2.82 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.26 1.34 7.81 57 V 8.38 4.76 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 0.85 0.00 0.00 0.89 0.00 0.00 58 R 8.84 4.55 0.00 1.72 1.75 0.00 3.09 0.00 0.00 3.09 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.45 0.00 59 G 9.02 4.11 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 0.00 60 K 9.52 4.40 0.00 1.82 1.72 0.00 1.60 0.00 0.00 1.66 0.00 0.00 2.96 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.46 1.28 7.81 61 A 8.94 5.14 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 62 Y 9.01 4.84 0.00 3.11 2.82 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 0.00 0.00 0.00 0.00 63 I 8.34 5.01 1.84 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 1.20 0.52 0.90 0.00 0.00 64 Q 8.87 4.93 0.00 1.99 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.50 0.00 0.00 0.00 0.00 0.00 2.22 2.22 0.00 65 T 9.12 4.25 4.12 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 1.16 0.00 0.00 *67 H 9.73 4.75 0.00 3.15 3.40 0.00 5.69 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 68 G 6.66 3.66 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 0.00 0.00 0.00 69 V 7.94 4.62 2.01 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 0.42 0.00 0.00 0.84 0.00 0.00 70 I 8.51 4.44 1.80 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 1.07 1.48 0.82 0.00 0.00 71 E 9.73 4.98 0.00 2.05 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 0.00 2.25 2.45 0.00 72 S 8.46 4.67 0.00 4.06 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 * Residues marked with a * may have inaccurate shift predictions.