NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 R 4.2792 8.1127 120.8598 56.3545 32.3693 177.2379 2 M 3.9353 7.9592 117.3156 57.4943 32.1502 176.2062 3 K 3.9958 8.3477 120.9678 60.2184 32.8258 178.7937 4 Q 4.0587 8.0553 120.4623 60.1077 27.9401 180.7175 5 I 3.9006 7.2806 120.3991 64.4660 37.2329 178.2884 6 E 3.9500 8.1348 119.4210 59.5745 29.3025 179.1296 7 D 4.3556 8.2171 118.8282 57.3244 40.8199 178.9169 8 K 3.9591 7.9696 119.9943 59.4724 32.1728 178.8252 9 L 3.9959 8.1896 119.5440 57.6925 41.4864 179.2009 10 E 3.8795 8.1743 119.2209 59.1769 29.6272 178.2718 11 E 3.9306 8.0763 119.3169 59.6145 29.6112 178.9666 12 I 3.7563 8.1492 120.0025 64.3029 37.1409 178.4133 13 L 3.9992 8.1606 120.0290 57.7874 41.4386 179.5817 14 S 4.1510 8.1566 113.0290 61.4689 62.5265 176.3819 15 K 4.1008 8.2635 121.1526 59.3573 31.6216 179.4337 16 L 4.0393 8.2697 119.6013 57.6516 41.6017 178.3420 17 Y 4.2613 8.0773 119.6974 61.3738 38.6437 177.9132 18 H 4.0552 8.3668 118.6693 59.4440 29.8884 177.2136 19 I 3.6134 7.5704 121.0033 64.4723 36.8298 178.1491 20 C 4.0809 8.2665 117.7651 62.8532 27.9638 175.9607 21 N 4.1652 7.9804 117.9116 56.4404 38.0906 177.4238 22 E 3.9584 8.0410 119.8701 59.2571 29.4680 179.4439 23 L 4.0147 8.1167 119.0785 57.4347 41.7815 179.3304 24 A 3.9604 8.2083 121.1435 55.1248 18.3843 179.6423 25 R 3.8559 8.0641 117.2156 59.4199 30.0385 178.9849 26 I 3.6671 7.5142 119.3527 64.2951 37.0782 177.9438 27 K 3.8637 8.2130 122.9318 60.3682 31.5784 179.4070 28 K 4.0353 7.9927 123.3045 59.6560 31.5597 181.4850 29 L 4.3430 7.5585 118.8256 57.6238 41.3491 179.2988 30 L 4.3087 8.0582 119.0622 57.1773 41.5122 179.0233 31 G 3.7452 7.7382 103.8986 46.5035 0.0000 174.9470 32 E 4.3024 7.8601 122.4603 59.0579 29.7763 177.2817 *33 R 4.1337 7.4356 120.8879 56.3631 29.4591 180.1618 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 R 8.11 4.28 0.00 1.95 1.99 0.00 3.26 0.00 0.00 3.33 7.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.20 0.00 2 M 7.96 3.94 0.00 2.25 2.04 0.00 0.00 0.00 0.00 0.00 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.66 2.71 0.00 3 K 8.35 4.00 0.00 1.82 1.79 0.00 1.79 0.00 0.00 1.97 0.00 0.00 2.96 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.50 1.45 7.81 4 Q 8.06 4.06 0.00 2.10 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.70 0.00 0.00 0.00 0.00 0.00 2.36 2.02 0.00 5 I 7.28 3.90 2.01 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.68 0.91 0.00 0.00 6 E 8.13 3.95 0.00 2.27 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 2.23 0.00 7 D 8.22 4.36 0.00 2.86 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 8 K 7.97 3.96 0.00 2.00 2.00 0.00 1.53 0.00 0.00 1.77 0.00 0.00 3.04 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.44 1.53 7.81 9 L 8.19 4.00 0.00 1.88 1.71 0.92 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 10 E 8.17 3.88 0.00 2.15 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.30 2.19 0.00 11 E 8.08 3.93 0.00 2.23 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 0.00 2.32 2.37 0.00 12 I 8.15 3.76 2.00 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.49 0.93 0.00 0.00 13 L 8.16 4.00 0.00 1.92 1.71 0.91 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 14 S 8.16 4.15 0.00 3.92 4.03 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 0.00 0.00 0.00 15 K 8.26 4.10 0.00 2.02 1.88 0.00 1.73 0.00 0.00 1.67 0.00 0.00 2.95 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.50 1.68 7.81 16 L 8.27 4.04 0.00 1.95 1.75 0.97 0.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 17 Y 8.08 4.26 0.00 3.05 3.26 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 0.00 0.00 0.00 0.00 18 H 8.37 4.06 0.00 3.32 3.49 0.00 5.84 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19 I 7.57 3.61 1.99 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.52 0.88 0.00 0.00 20 C 8.27 4.08 0.00 3.06 2.93 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 21 N 7.98 4.17 0.00 2.69 2.69 0.00 0.00 7.06 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 22 E 8.04 3.96 0.00 2.01 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 2.21 2.25 0.00 23 L 8.12 4.01 0.00 1.81 1.68 0.90 0.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 24 A 8.21 3.96 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 25 R 8.06 3.86 0.00 2.01 2.15 0.00 3.21 0.00 0.00 3.17 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.55 0.00 26 I 7.51 3.67 2.00 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 1.39 0.55 0.90 0.00 0.00 27 K 8.21 3.86 0.00 1.94 1.98 0.00 1.62 0.00 0.00 1.68 0.00 0.00 2.96 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.44 1.47 7.81 28 K 7.99 4.04 0.00 1.85 1.79 0.00 1.87 0.00 0.00 1.65 0.00 0.00 2.91 0.00 0.00 2.75 0.00 0.00 0.00 0.00 1.37 1.35 7.81 29 L 7.56 4.34 0.00 1.79 1.76 0.97 1.18 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 30 L 8.06 4.31 0.00 1.85 1.70 0.91 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 31 G 7.74 3.75 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 0.00 0.00 0.00 32 E 7.86 4.30 0.00 2.13 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 2.32 2.46 0.00 *33 R 7.44 4.13 0.00 1.84 1.70 0.00 3.30 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 1.58 1.45 0.00 * Residues marked with a * may have inaccurate shift predictions.