NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 7 P 4.2929 0.0000 0.0000 61.0721 32.5080 174.6349 8 V 3.2816 8.3596 114.6792 63.8298 30.9802 173.9012 9 D 4.6001 9.3730 128.1723 54.6925 42.5704 174.7010 10 L 4.9046 8.2736 119.8408 54.2013 42.9137 177.8403 11 G 4.1690 8.4122 105.0649 45.1116 0.0000 173.9683 12 L 4.3976 9.0309 119.4180 54.6851 42.6696 176.7928 13 L 3.8901 7.6914 121.2352 54.9800 42.3364 176.2585 14 E 4.3720 8.5836 125.9566 55.1478 28.6509 176.1754 15 E 4.0058 8.8569 124.1641 56.6421 30.6367 177.9262 16 D 4.9092 8.4952 122.6629 51.2372 38.0115 175.0862 17 D 4.7634 7.2575 125.8084 54.3626 41.2145 177.2680 18 E 3.7628 8.0277 119.0518 56.1529 29.4863 176.4681 19 F 4.8699 7.5885 118.7908 55.1290 40.2557 174.5232 20 E 4.6330 8.4310 120.1693 54.5687 30.5682 175.6970 21 E 3.4852 7.5983 118.2877 58.4411 31.0223 176.3751 22 F 5.0073 6.7563 109.5684 55.5459 40.6460 176.0237 23 P 4.0422 0.0000 0.0000 64.3096 31.8299 175.9024 24 A 4.7023 8.4942 124.8984 50.8914 17.8457 176.0389 25 E 4.3568 7.9652 115.6826 55.7261 33.3031 177.4745 *37 H 4.3326 7.9243 112.5208 53.8589 29.8993 181.3753 38 V 3.4038 6.9975 121.6003 64.6135 33.1371 175.8760 39 W 4.8631 5.7246 116.0398 53.8956 30.2280 174.7718 40 E 3.4328 7.9798 122.2409 55.3033 30.4337 174.4648 41 D 4.2593 9.0140 122.1758 58.2676 40.2344 177.8995 42 N 4.5909 8.8639 118.4251 53.3330 40.9649 175.8093 43 W 4.0630 8.4915 132.7690 56.2115 30.3327 177.0195 44 D 4.4054 8.7809 114.6299 53.4600 40.4194 174.6148 45 D 4.2429 7.5767 135.0000 55.2574 42.1087 178.2741 *50 D 4.6262 6.8640 116.9995 52.6270 42.9414 179.1776 51 D 4.5256 7.6978 120.6846 55.9147 41.5815 177.8184 52 F 4.5043 7.9200 117.5646 59.5656 39.7553 177.1922 53 S 4.2335 8.3310 113.3077 60.6768 62.5998 173.8111 54 N 4.7649 7.4271 117.5760 51.3749 37.3849 173.2173 55 Q 4.3097 8.1410 122.1486 54.3394 29.6089 176.2800 56 L 3.9957 8.0253 123.3708 57.9287 40.9059 178.9098 57 R 3.9304 7.8526 123.0907 58.0236 30.5391 177.3546 58 A 4.4422 7.7057 118.7941 53.4465 19.7737 178.9168 59 E 3.9596 8.6790 116.1618 59.4189 29.8386 179.2532 60 L 3.9345 8.0241 119.6604 58.2217 42.1673 178.0863 61 E 4.0407 7.9122 119.0774 59.2475 29.7443 178.9353 62 K 4.3521 8.0936 124.5931 51.2038 30.2777 182.1673 *63 H 4.2685 8.0590 120.8401 54.7484 28.6936 175.9261 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 P 0.00 4.29 0.00 2.11 1.95 0.00 3.76 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 1.59 0.00 8 V 8.36 3.28 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 0.87 0.00 0.00 0.92 0.00 0.00 9 D 9.37 4.60 0.00 2.64 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 10 L 8.27 4.90 0.00 1.58 1.58 0.94 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 0.00 0.00 0.00 0.00 11 G 8.41 4.17 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 12 L 9.03 4.40 0.00 1.63 1.70 0.91 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 13 L 7.69 3.89 0.00 1.57 1.56 0.91 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.00 0.00 0.00 0.00 0.00 0.00 14 E 8.58 4.37 0.00 1.98 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 0.00 2.28 2.30 0.00 15 E 8.86 4.01 0.00 1.97 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 2.38 2.24 0.00 16 D 8.50 4.91 0.00 2.77 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 17 D 7.26 4.76 0.00 2.83 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 18 E 8.03 3.76 0.00 1.94 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 0.00 2.43 2.21 0.00 19 F 7.59 4.87 0.00 3.11 3.12 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 20 E 8.43 4.63 0.00 1.99 1.84 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 2.23 2.19 0.00 21 E 7.60 3.49 0.00 1.88 1.60 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 2.40 2.66 0.00 22 F 6.76 5.01 0.00 3.17 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 23 P 0.00 4.04 0.00 2.19 2.17 0.00 3.80 0.00 0.00 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 2.19 0.00 24 A 8.49 4.70 1.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 7.97 4.36 0.00 1.93 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 2.11 1.85 0.00 *37 H 7.92 4.33 0.00 2.86 2.92 0.00 7.19 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 38 V 7.00 3.40 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 1.03 0.00 0.00 0.88 0.00 0.00 39 W 5.72 4.86 0.00 3.52 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 40 E 7.98 3.43 0.00 1.16 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 2.04 1.76 0.00 41 D 9.01 4.26 0.00 2.67 2.50 0.00 0.00 0.00 0.00 0.00 0.00 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 N 8.86 4.59 0.00 2.68 2.79 0.00 0.00 6.77 7.68 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 43 W 8.49 4.06 0.00 3.55 2.54 0.00 0.00 0.00 0.00 0.00 0.00 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 D 8.78 4.41 0.00 2.81 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 45 D 7.58 4.24 0.00 2.88 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 *50 D 6.86 4.63 0.00 2.65 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 51 D 7.70 4.53 0.00 2.16 2.37 0.00 0.00 0.00 0.00 0.00 0.00 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 F 7.92 4.50 0.00 3.01 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 53 S 8.33 4.23 0.00 4.01 4.07 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 0.00 0.00 0.00 0.00 54 N 7.43 4.76 0.00 2.78 2.81 0.00 0.00 7.05 7.57 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 55 Q 8.14 4.31 0.00 2.11 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.84 6.87 0.00 0.00 0.00 0.00 0.00 2.47 2.33 0.00 56 L 8.03 4.00 0.00 1.82 1.81 0.92 0.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 0.00 0.00 0.00 0.00 0.00 0.00 57 R 7.85 3.93 0.00 1.78 2.07 0.00 3.29 0.00 0.00 3.24 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.75 0.00 58 A 7.71 4.44 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 59 E 8.68 3.96 0.00 2.13 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 2.52 2.41 0.00 60 L 8.02 3.93 0.00 1.61 1.79 0.93 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 0.00 0.00 0.00 0.00 0.00 0.00 61 E 7.91 4.04 0.00 1.95 2.02 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 2.36 2.32 0.00 62 K 8.09 4.35 0.00 1.72 1.62 0.00 1.94 0.00 0.00 1.74 0.00 0.00 2.95 0.00 0.00 2.70 0.00 0.00 0.00 0.00 1.33 1.24 7.81 *63 H 8.06 4.27 0.00 3.03 2.95 0.00 7.20 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.