NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.4115 8.3044 120.3276 54.6838 33.4030 174.7884 2 Q 3.7393 8.6565 123.1487 56.0533 29.5361 174.3894 3 K 4.7683 9.1358 125.8587 55.8066 35.4222 174.7693 4 Y 5.1449 8.8184 119.7773 56.1114 42.0721 174.8332 5 V 4.9477 8.8418 122.2333 59.7040 34.9155 174.4255 6 C 3.0162 8.7702 124.7395 59.0894 31.6213 174.0494 7 N 4.2639 8.9099 125.1361 56.3203 38.2621 176.9254 8 V 3.8154 7.7881 117.5808 64.8178 31.9494 176.1365 9 C 4.6373 7.9071 109.8572 57.2225 30.4337 174.6120 10 G 3.9049 8.1758 108.8281 45.3923 0.0000 173.3205 11 Y 4.2480 7.8006 121.5134 57.9155 40.0358 174.2393 12 E 4.8627 7.8416 126.5261 54.4055 32.1844 174.3203 13 Y 4.3782 9.2090 129.6335 56.9003 40.1207 173.5737 14 D 4.9183 8.0815 127.7368 51.9588 42.7160 174.6734 15 P 4.2613 0.0000 0.0000 65.9642 31.1127 178.3220 16 A 3.9884 7.9922 118.3376 54.6127 18.3211 178.5166 17 E 4.2667 7.8371 114.6462 56.7702 30.7083 175.9859 18 H 4.8304 8.1647 117.2359 55.4408 29.6777 173.9170 *26 D 4.4006 7.9662 112.9652 54.3580 42.3294 175.9631 27 N 4.2569 8.3806 112.7818 54.2692 35.7749 174.5237 28 V 3.9278 7.8185 119.2252 61.2351 31.7669 174.2489 29 P 4.6486 0.0000 0.0000 62.3245 32.3615 177.0112 30 F 3.5111 9.0484 122.0554 61.2562 39.2415 176.5157 31 D 4.3047 7.9267 117.1194 54.4860 39.4277 176.2409 32 Q 4.1636 7.5909 120.2652 56.4657 29.6433 175.7167 33 L 3.8293 6.7451 117.3820 53.9198 42.2059 175.1699 34 P 4.4310 0.0000 0.0000 62.3960 32.0291 177.1371 35 D 4.3231 8.5412 119.1010 57.0736 40.7641 177.2723 36 D 4.6728 7.8884 115.8306 52.6784 40.0484 176.3566 37 W 4.1594 7.8231 130.8127 57.9975 31.1570 174.6765 38 C 4.7523 7.1415 120.8010 57.3026 31.9945 173.2819 39 C 3.5593 8.7028 121.6202 59.5921 31.3260 173.0184 40 P 4.1055 0.0000 0.0000 63.9866 31.7050 177.0276 41 V 3.9625 7.4590 118.2107 64.1603 32.2103 175.8658 42 C 4.6016 8.0077 110.3397 57.1987 30.9667 174.7007 43 G 3.8375 8.2863 108.7928 45.3179 0.0000 174.2158 44 V 3.8960 7.3021 112.8683 60.9080 32.5486 175.8924 45 S 4.8721 8.3584 117.9409 57.6439 64.0367 175.7248 46 K 4.1674 8.6940 120.3907 59.5286 31.7265 178.8358 47 D 4.7466 8.2754 116.3766 55.0631 39.7184 176.3644 48 Q 4.8145 8.7340 119.6230 56.0306 29.9047 174.9442 49 F 5.3005 8.4628 116.6959 56.0095 41.9356 175.3436 50 S 5.0952 9.0223 116.7131 55.7373 66.7889 172.0237 51 P 3.9276 0.0000 0.0000 63.1091 31.8174 176.0012 52 A 4.1357 8.3469 123.4688 52.5074 18.9635 175.9936 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 4.41 0.00 2.08 2.10 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.52 2.56 0.00 2 Q 8.66 3.74 0.00 2.06 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.50 6.87 0.00 0.00 0.00 0.00 0.00 2.05 1.89 0.00 3 K 9.14 4.77 0.00 1.67 1.66 0.00 1.74 0.00 0.00 1.77 0.00 0.00 2.78 0.00 0.00 2.76 0.00 0.00 0.00 0.00 1.56 1.57 7.81 4 Y 8.82 5.14 0.00 1.97 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 V 8.84 4.95 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.74 0.00 0.00 0.97 0.00 0.00 6 C 8.77 3.02 0.00 2.55 2.78 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 7 N 8.91 4.26 0.00 2.61 2.85 0.00 0.00 7.00 7.51 0.00 0.00 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 V 7.79 3.82 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 0.81 0.00 0.00 0.92 0.00 0.00 9 C 7.91 4.64 0.00 3.09 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 10 G 8.18 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 0.00 0.00 0.00 11 Y 7.80 4.25 0.00 3.23 3.04 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 12 E 7.84 4.86 0.00 1.85 1.61 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 0.00 2.09 2.36 0.00 13 Y 9.21 4.38 0.00 3.43 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 14 D 8.08 4.92 0.00 2.64 2.51 0.00 0.00 0.00 0.00 0.00 0.00 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 P 0.00 4.26 0.00 2.23 2.36 0.00 3.66 0.00 0.00 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.26 2.49 0.00 16 A 7.99 3.99 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 17 E 7.84 4.27 0.00 1.89 1.79 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 2.23 2.25 0.00 18 H 8.16 4.83 0.00 3.11 3.32 0.00 5.65 0.00 0.00 0.00 0.00 6.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *26 D 7.97 4.40 0.00 2.82 2.75 0.00 0.00 0.00 0.00 0.00 0.00 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 N 8.38 4.26 0.00 2.90 2.96 0.00 0.00 7.08 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 28 V 7.82 3.93 2.31 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 0.79 0.00 0.00 1.03 0.00 0.00 29 P 0.00 4.65 0.00 2.50 2.23 0.00 3.93 0.00 0.00 3.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.17 1.97 0.00 30 F 9.05 3.51 0.00 2.83 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 31 D 7.93 4.30 0.00 2.73 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 32 Q 7.59 4.16 0.00 1.97 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.08 6.91 0.00 0.00 0.00 0.00 0.00 2.23 2.25 0.00 33 L 6.75 3.83 0.00 0.61 0.59 -1.62 0.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 34 P 0.00 4.43 0.00 2.41 2.15 0.00 3.58 0.00 0.00 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.15 2.00 0.00 35 D 8.54 4.32 0.00 2.66 2.75 0.00 0.00 0.00 0.00 0.00 0.00 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 D 7.89 4.67 0.00 2.77 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 37 W 7.82 4.16 0.00 3.14 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 38 C 7.14 4.75 0.00 2.62 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 39 C 8.70 3.56 0.00 3.26 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 40 P 0.00 4.11 0.00 1.95 1.87 0.00 3.17 0.00 0.00 2.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.94 1.59 0.00 41 V 7.46 3.96 2.08 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 0.87 0.00 0.00 0.90 0.00 0.00 42 C 8.01 4.60 0.00 3.06 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 43 G 8.29 3.84 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 0.00 0.00 0.00 0.00 0.00 0.00 44 V 7.30 3.90 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 0.78 0.00 0.00 1.05 0.00 0.00 45 S 8.36 4.87 0.00 4.11 3.87 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 0.00 0.00 0.00 46 K 8.69 4.17 0.00 1.68 1.61 0.00 0.93 0.00 0.00 1.54 0.00 0.00 2.29 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.57 1.44 7.81 47 D 8.28 4.75 0.00 2.86 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 48 Q 8.73 4.81 0.00 2.16 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.11 6.75 0.00 0.00 0.00 0.00 0.00 2.36 2.41 0.00 49 F 8.46 5.30 0.00 3.26 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 50 S 9.02 5.10 0.00 3.73 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 51 P 0.00 3.93 0.00 1.82 1.56 0.00 3.52 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 1.92 2.04 0.00 52 A 8.35 4.14 1.11 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 * Residues marked with a * may have inaccurate shift predictions.