NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 K 4.2027 8.3149 121.8032 56.1564 33.4338 174.5181 *4 R 4.7759 8.1260 119.8282 56.3454 31.4068 175.3638 5 K 4.3850 8.7423 122.3379 54.9706 36.2416 174.9509 6 L 4.4546 8.3020 127.0201 54.5699 42.6368 178.1859 7 V 3.4379 8.7273 123.1986 65.8894 31.5664 178.5104 8 K 4.0237 7.7191 117.4263 59.2529 32.4023 177.2372 9 D 4.3907 7.5233 117.7220 54.2329 41.0369 176.3064 10 F 3.7559 7.5188 119.6384 56.5489 38.8833 175.8641 11 G 4.0450 8.5428 116.3033 44.7135 0.0000 172.8397 12 D 4.6749 8.6237 118.0744 55.5797 40.6788 176.8509 13 D 4.5709 8.0273 118.0558 54.1333 40.0638 175.3810 14 Y 5.1550 7.7819 117.1876 56.7770 41.2136 175.1859 15 T 4.7298 8.9735 117.2650 61.7424 72.6542 173.0013 16 L 4.1114 8.4376 127.7813 54.3176 43.3969 175.6300 17 I 4.3711 8.4974 127.0006 59.8812 39.1216 176.0798 18 Q 4.1170 8.5487 125.0616 55.7037 31.0633 175.8747 19 D 4.3908 8.0020 117.5693 54.4707 41.8774 176.2698 20 S 4.1721 8.9610 124.0032 61.9969 62.9114 176.5298 21 Q 3.9340 8.0962 121.2971 59.3621 28.9426 177.9128 22 E 3.9885 8.4602 120.2867 58.9909 29.6170 178.9155 23 V 3.5729 8.3435 118.9463 65.9764 31.6278 178.2812 24 K 4.0440 8.4382 118.2315 59.0262 31.8147 179.3529 25 A 4.0068 7.9943 121.2703 55.2031 18.2938 179.5737 26 I 3.6679 7.7491 118.2297 64.6797 37.1315 178.5423 27 L 3.9761 7.9947 119.6302 57.9987 41.5958 179.3790 28 E 3.9437 8.4639 119.1709 59.1839 29.3222 178.1467 29 Y 4.2004 8.4206 119.5741 60.4283 39.0397 177.3580 30 I 3.9687 7.9858 110.9126 60.0652 38.2329 175.5646 31 G 3.7801 7.6608 107.9338 47.0161 0.0000 173.5823 32 S 4.6862 8.1495 113.7160 56.4666 63.7700 173.5839 33 E 4.4089 8.5209 124.9688 56.5712 30.1099 176.4132 34 E 4.1764 7.7380 118.2138 56.6901 30.5439 176.5303 35 E 4.8222 8.2698 117.5513 54.8294 29.9381 174.1447 36 P 4.7486 0.0000 0.0000 63.4608 32.5485 176.4522 37 H 5.0167 8.6900 115.1253 56.5806 29.6620 174.9948 38 A 4.6984 7.5215 118.7316 50.8283 22.6786 174.9639 39 L 5.1940 8.5305 118.2762 52.9490 46.7735 175.6789 40 F 4.8675 9.2460 119.7796 55.8098 41.5283 175.0087 41 V 5.2559 9.0994 117.0935 59.4337 35.8477 174.6871 42 K 4.7824 9.3821 124.0388 54.8132 35.0492 174.8754 43 V 4.5896 8.6387 127.6573 61.4992 33.1993 175.1101 44 G 3.9213 9.3543 115.3693 45.0058 0.0000 171.9790 45 D 4.5259 9.6513 125.4059 55.5789 37.9811 174.8769 46 G 3.9554 7.9868 104.2611 45.9952 0.0000 171.0340 47 D 4.8770 7.5691 118.3158 51.9930 44.5161 174.3386 48 Y 4.7100 8.4119 118.2098 58.2476 38.3621 175.4938 49 E 4.4709 9.4353 126.7507 58.2389 30.8356 176.2436 50 E 5.1204 8.1766 116.8044 54.9647 34.7473 174.6725 51 V 4.9573 9.0297 122.5329 61.2758 35.2118 174.0424 52 W 5.3704 9.7532 127.3000 54.8966 33.2638 174.5955 53 G 4.4081 8.8329 110.0076 44.2434 0.0000 171.7675 54 I 4.8459 8.1869 113.1529 58.3678 41.4167 174.9981 55 D 5.0582 8.6168 122.0378 54.0630 41.3996 176.4561 56 S 4.8008 7.6270 111.0735 56.9821 65.7294 173.4573 57 F 4.2292 9.0726 128.7879 61.1128 39.4788 176.0270 58 V 3.5806 7.7409 119.7096 61.7544 32.0390 174.9088 59 P 4.5220 0.0000 0.0000 61.5416 30.0522 174.7125 60 Y 3.8899 7.3635 122.2567 58.3731 39.1151 177.2527 61 N 4.2434 8.7187 121.8561 56.1037 38.7915 176.4457 62 F 4.6745 7.0185 110.2836 57.3461 38.9243 175.8335 63 L 4.3901 7.5498 122.7603 55.0902 42.8427 175.6912 64 E 4.8671 8.7951 121.2796 54.9127 31.0104 175.6354 65 A 4.7960 9.2232 127.4444 51.1204 21.1799 175.2590 66 Y 5.3353 8.0401 117.8426 55.0176 40.9838 174.9905 67 R 3.5877 8.5100 123.5282 56.1696 30.2062 175.7404 68 L 4.6270 8.5839 125.1855 54.6176 43.9874 176.6225 69 K 3.9411 7.4314 125.1026 56.9329 32.0560 174.4515 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 K 8.31 4.20 0.00 1.82 1.96 0.00 1.79 0.00 0.00 1.72 0.00 0.00 2.97 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.63 1.56 7.81 *4 R 8.13 4.78 0.00 1.87 2.19 0.00 3.76 0.00 0.00 3.52 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.68 0.00 5 K 8.74 4.38 0.00 1.32 0.74 0.00 0.88 0.00 0.00 1.10 0.00 0.00 2.13 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.30 0.87 7.81 6 L 8.30 4.45 0.00 1.65 1.52 0.91 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.00 0.00 0.00 0.00 0.00 0.00 7 V 8.73 3.44 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 0.91 0.00 0.00 0.91 0.00 0.00 8 K 7.72 4.02 0.00 1.91 1.91 0.00 1.64 0.00 0.00 1.71 0.00 0.00 2.99 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.39 1.34 7.81 9 D 7.52 4.39 0.00 2.26 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 10 F 7.52 3.76 0.00 2.76 2.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 11 G 8.54 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 12 D 8.62 4.67 0.00 2.69 2.76 0.00 0.00 0.00 0.00 0.00 0.00 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 D 8.03 4.57 0.00 2.62 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 14 Y 7.78 5.15 0.00 3.22 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 15 T 8.97 4.73 4.29 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 1.19 0.00 0.00 16 L 8.44 4.11 0.00 1.11 1.29 0.07 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.05 0.00 0.00 0.00 0.00 0.00 0.00 17 I 8.50 4.37 1.73 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 0.81 0.86 0.00 0.00 18 Q 8.55 4.12 0.00 1.77 1.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.31 6.97 0.00 0.00 0.00 0.00 0.00 1.52 1.85 0.00 19 D 8.00 4.39 0.00 2.79 2.57 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 20 S 8.96 4.17 0.00 3.92 3.94 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 21 Q 8.10 3.93 0.00 2.12 2.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.91 0.00 0.00 0.00 0.00 0.00 2.43 2.43 0.00 22 E 8.46 3.99 0.00 2.14 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 0.00 2.31 2.36 0.00 23 V 8.34 3.57 2.24 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 0.98 0.00 0.00 0.94 0.00 0.00 24 K 8.44 4.04 0.00 1.85 1.86 0.00 1.74 0.00 0.00 1.67 0.00 0.00 2.96 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.49 1.66 7.81 25 A 7.99 4.01 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 26 I 7.75 3.67 1.93 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 1.87 0.88 0.55 0.00 0.00 27 L 7.99 3.98 0.00 1.86 1.75 1.02 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 28 E 8.46 3.94 0.00 2.18 2.22 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 2.35 2.41 0.00 29 Y 8.42 4.20 0.00 3.04 3.18 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 0.00 0.00 0.00 0.00 30 I 7.99 3.97 1.82 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 1.74 0.71 0.95 0.00 0.00 31 G 7.66 3.78 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 0.00 0.00 0.00 32 S 8.15 4.69 0.00 3.82 3.76 0.00 0.00 0.00 0.00 0.00 0.00 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 E 8.52 4.41 0.00 1.98 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 2.31 0.00 34 E 7.74 4.18 0.00 2.08 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 2.33 2.38 0.00 35 E 8.27 4.82 0.00 1.95 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 2.23 2.38 0.00 36 P 0.00 4.75 0.00 2.39 2.14 0.00 3.94 0.00 0.00 3.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.07 0.00 37 H 8.69 5.02 0.00 3.18 3.51 0.00 5.70 0.00 0.00 0.00 0.00 7.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 38 A 7.52 4.70 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 39 L 8.53 5.19 0.00 1.42 1.53 0.84 0.96 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 40 F 9.25 4.87 0.00 2.18 2.19 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 0.00 0.00 0.00 0.00 41 V 9.10 5.26 2.39 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 0.67 0.00 0.00 1.16 0.00 0.00 42 K 9.38 4.78 0.00 1.56 1.76 0.00 1.61 0.00 0.00 1.50 0.00 0.00 2.45 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.31 1.19 7.81 43 V 8.64 4.59 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 0.75 0.00 0.00 0.74 0.00 0.00 44 G 9.35 3.92 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 0.00 0.00 0.00 0.00 0.00 0.00 45 D 9.65 4.53 0.00 2.78 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 46 G 7.99 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 0.00 0.00 0.00 47 D 7.57 4.88 0.00 2.80 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 48 Y 8.41 4.71 0.00 3.17 3.00 0.00 0.00 0.00 0.00 0.00 0.00 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 E 9.44 4.47 0.00 1.97 2.18 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 0.00 2.32 2.41 0.00 50 E 8.18 5.12 0.00 2.36 2.32 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 2.52 2.51 0.00 51 V 9.03 4.96 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 0.91 0.00 0.00 0.71 0.00 0.00 52 W 9.75 5.37 0.00 3.16 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 53 G 8.83 4.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 I 8.19 4.85 1.91 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.90 0.97 0.00 0.00 55 D 8.62 5.06 0.00 2.82 2.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 56 S 7.63 4.80 0.00 3.93 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 57 F 9.07 4.23 0.00 3.00 3.10 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 58 V 7.74 3.58 1.90 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 0.01 0.00 0.00 1.00 0.00 0.00 59 P 0.00 4.52 0.00 2.23 1.89 0.00 3.49 0.00 0.00 3.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 1.76 0.00 60 Y 7.36 3.89 0.00 2.52 1.46 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 61 N 8.72 4.24 0.00 2.77 2.88 0.00 0.00 6.88 8.13 0.00 0.00 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 F 7.02 4.67 0.00 3.10 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 63 L 7.55 4.39 0.00 1.76 1.69 1.11 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 64 E 8.80 4.87 0.00 1.95 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 2.28 2.36 0.00 65 A 9.22 4.80 1.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 Y 8.04 5.34 0.00 3.07 3.14 0.00 0.00 0.00 0.00 0.00 0.00 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 R 8.51 3.59 0.00 0.67 1.28 0.00 2.44 0.00 0.00 2.86 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 0.50 0.00 68 L 8.58 4.63 0.00 1.47 1.67 1.00 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 0.00 0.00 0.00 0.00 0.00 0.00 69 K 7.43 3.94 0.00 1.74 1.53 0.00 1.65 0.00 0.00 1.87 0.00 0.00 3.19 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.43 1.48 7.81 * Residues marked with a * may have inaccurate shift predictions.