NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.4598 8.3049 118.1962 54.7419 32.6331 174.2610 2 K 4.0360 8.3814 117.9803 55.7960 31.4839 175.5327 3 R 4.6412 8.0185 121.6707 54.2754 33.5279 176.8987 4 T 4.0217 8.5021 108.4506 64.3477 68.6115 174.1245 5 W 5.1827 7.6359 130.4124 56.7493 30.8417 176.3665 6 Q 4.4332 7.7564 127.1151 55.3014 28.7073 174.1756 7 P 2.9700 0.0000 0.0000 61.5666 32.2959 176.1454 8 N 4.7962 8.0090 119.5951 51.2896 42.9149 175.2858 9 R 4.0593 8.5557 126.1605 58.7411 30.2955 178.9860 10 R 4.0626 7.8732 118.5060 59.5543 30.2415 177.1187 11 K 3.9428 8.2432 118.6965 59.0915 31.8330 177.9230 12 R 4.0519 8.3049 118.5132 60.2585 30.1330 178.1276 13 A 4.1753 7.7486 119.3435 54.4024 18.3076 179.3939 14 K 3.8395 9.1312 118.8867 60.2123 32.3543 178.6279 15 T 4.1422 8.4243 116.1566 65.2406 68.5802 175.1934 16 H 4.6179 8.2553 120.6760 56.2992 29.9686 176.2641 17 G 4.1158 8.1922 110.0072 45.3772 0.0000 174.2250 18 F 4.0179 9.0836 122.5637 61.3299 39.5726 177.4123 19 R 4.0942 8.3418 116.7699 59.2380 29.9180 178.4321 20 A 3.9779 8.0775 119.8816 55.5329 18.4654 179.6666 21 R 3.9931 8.0893 115.3053 58.4762 29.8640 178.1947 22 M 4.1619 7.6256 117.4776 56.2093 32.2725 178.1248 23 R 4.0560 7.6233 118.7276 58.1917 31.1756 176.7005 24 T 4.0468 7.2644 113.6242 60.9140 68.4915 173.2293 25 P 4.3208 0.0000 0.0000 66.2345 30.9054 178.9728 26 G 3.7700 7.8394 104.0171 46.7680 0.0000 175.8753 27 G 4.0734 8.1104 110.0669 47.6348 0.0000 175.8716 28 R 3.6909 8.0250 120.9920 58.9261 30.1298 178.8495 29 K 3.9621 7.9926 118.5118 58.9081 32.1353 179.1057 30 V 3.5607 8.3502 119.5506 66.2235 31.3887 177.7145 31 L 3.9821 7.8716 118.2174 57.3851 41.4321 179.0912 32 K 3.6732 8.0289 120.0972 59.2520 32.1347 177.6751 33 R 4.3231 7.7242 117.7923 58.2210 30.4606 178.3890 34 R 3.9071 7.9179 117.8727 59.1712 30.1169 178.5366 35 R 4.0061 8.5503 119.5445 59.7319 30.0027 177.4733 36 Q 4.3329 7.5639 114.7306 56.7012 28.8208 175.6928 37 K 4.3376 9.1424 117.5869 56.3672 33.1764 176.5121 38 G 3.9964 8.0394 105.5112 46.6102 0.0000 174.1445 39 R 4.2055 7.8515 117.3520 55.8507 30.5969 177.0109 40 W 4.5331 8.7644 120.2636 58.3357 28.5364 176.7095 41 R 4.5910 7.7554 116.5586 53.7488 30.6065 175.6536 42 L 4.3283 8.5987 123.6081 57.0757 42.0411 177.6766 43 T 4.7318 7.1762 110.9615 58.9733 70.5005 171.2128 44 P 4.2489 0.0000 0.0000 62.7099 32.0410 175.3362 45 A 4.7236 8.3048 122.1273 50.5795 20.3824 176.4575 46 V 4.5541 8.0706 121.4154 61.7594 34.6701 172.9930 47 R 4.8740 8.3082 118.8528 54.2493 32.7812 175.3409 48 K 4.4726 8.1761 120.6709 56.1570 34.3657 177.4357 *49 R 4.1415 8.6242 120.1926 57.5546 30.0213 171.8604 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 M 8.30 4.46 0.00 2.15 2.20 0.00 0.00 0.00 0.00 0.00 -0.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.48 2.58 0.00 2 K 8.38 4.04 0.00 1.84 1.78 0.00 1.61 0.00 0.00 1.71 0.00 0.00 3.03 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.43 1.58 7.81 3 R 8.02 4.64 0.00 1.90 1.92 0.00 3.33 0.00 0.00 3.42 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.58 0.00 4 T 8.50 4.02 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 1.25 0.00 0.00 5 W 7.64 5.18 0.00 3.18 3.08 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 6 Q 7.76 4.43 0.00 1.91 1.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.21 6.42 0.00 0.00 0.00 0.00 0.00 2.24 2.21 0.00 7 P 0.00 2.97 0.00 1.80 1.14 0.00 3.27 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.60 0.00 8 N 8.01 4.80 0.00 2.61 2.50 0.00 0.00 7.24 7.65 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 9 R 8.56 4.06 0.00 1.88 1.96 0.00 3.16 0.00 0.00 3.24 7.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.68 0.00 10 R 7.87 4.06 0.00 1.87 1.90 0.00 3.18 0.00 0.00 3.26 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.68 0.00 11 K 8.24 3.94 0.00 2.01 1.85 0.00 1.69 0.00 0.00 1.74 0.00 0.00 2.98 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.50 1.59 7.81 12 R 8.30 4.05 0.00 2.10 2.04 0.00 3.60 0.00 0.00 3.42 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 1.92 0.00 13 A 7.75 4.18 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 14 K 9.13 3.84 0.00 1.75 1.92 0.00 1.70 0.00 0.00 1.71 0.00 0.00 3.03 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.49 1.51 7.81 15 T 8.42 4.14 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 0.90 0.00 0.00 16 H 8.26 4.62 0.00 3.16 3.35 0.00 5.70 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 17 G 8.19 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 0.00 0.00 0.00 0.00 18 F 9.08 4.02 0.00 3.07 3.13 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 0.00 0.00 0.00 0.00 19 R 8.34 4.09 0.00 1.97 2.03 0.00 3.28 0.00 0.00 3.41 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 1.90 0.00 20 A 8.08 3.98 1.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 R 8.09 3.99 0.00 1.79 1.87 0.00 3.10 0.00 0.00 3.14 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.97 0.00 22 M 7.63 4.16 0.00 1.84 2.08 0.00 0.00 0.00 0.00 0.00 2.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 1.80 0.00 23 R 7.62 4.06 0.00 1.93 1.95 0.00 3.15 0.00 0.00 3.14 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.60 0.00 24 T 7.26 4.05 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 1.23 0.00 0.00 25 P 0.00 4.32 0.00 2.29 2.29 0.00 3.73 0.00 0.00 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.03 0.00 26 G 7.84 3.77 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 0.00 0.00 0.00 27 G 8.11 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 0.00 0.00 0.00 28 R 8.02 3.69 0.00 1.97 1.99 0.00 3.10 0.00 0.00 3.34 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.85 0.00 29 K 7.99 3.96 0.00 1.82 1.95 0.00 1.63 0.00 0.00 1.57 0.00 0.00 2.92 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.43 1.44 7.81 30 V 8.35 3.56 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 0.97 0.00 0.00 1.03 0.00 0.00 31 L 7.87 3.98 0.00 1.72 1.71 0.59 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 32 K 8.03 3.67 0.00 1.85 2.09 0.00 1.80 0.00 0.00 1.64 0.00 0.00 2.98 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.48 1.64 7.81 33 R 7.72 4.32 0.00 2.24 2.04 0.00 3.14 0.00 0.00 3.16 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.65 0.00 34 R 7.92 3.91 0.00 1.95 1.98 0.00 3.22 0.00 0.00 3.31 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.85 0.00 35 R 8.55 4.01 0.00 1.97 1.99 0.00 3.12 0.00 0.00 3.13 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.65 0.00 36 Q 7.56 4.33 0.00 2.03 2.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.48 0.00 0.00 0.00 0.00 0.00 2.38 2.31 0.00 37 K 9.14 4.34 0.00 1.70 1.93 0.00 1.88 0.00 0.00 1.71 0.00 0.00 2.96 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.36 1.35 7.81 38 G 8.04 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 39 R 7.85 4.21 0.00 1.89 1.95 0.00 3.35 0.00 0.00 3.20 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.62 0.00 40 W 8.76 4.53 0.00 3.23 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 41 R 7.76 4.59 0.00 1.88 2.06 0.00 3.19 0.00 0.00 3.40 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.75 0.00 42 L 8.60 4.33 0.00 1.77 1.87 1.03 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 0.00 0.00 0.00 0.00 0.00 0.00 43 T 7.18 4.73 4.44 0.00 0.00 0.00 0.00 0.00 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 0.00 0.00 44 P 0.00 4.25 0.00 2.16 2.08 0.00 3.89 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.10 0.00 45 A 8.30 4.72 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 46 V 8.07 4.55 2.14 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 0.85 0.00 0.00 1.03 0.00 0.00 47 R 8.31 4.87 0.00 1.90 1.87 0.00 3.09 0.00 0.00 3.24 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.68 0.00 48 K 8.18 4.47 0.00 1.72 1.68 0.00 1.81 0.00 0.00 1.76 0.00 0.00 2.98 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.34 1.35 7.81 *49 R 8.62 4.14 0.00 1.57 1.74 0.00 3.23 0.00 0.00 3.26 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.69 0.00 * Residues marked with a * may have inaccurate shift predictions.