NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- *9 S 4.4163 8.4345 117.0996 57.7560 64.9902 173.8268 *10 H 4.9398 7.7983 116.5625 50.4015 30.7521 171.8502 11 P 4.7290 0.0000 0.0000 64.2842 33.9850 174.9204 12 K 4.6335 8.3824 113.2296 54.3094 36.8484 175.1400 13 N 4.8958 8.8900 120.4131 52.7467 42.0957 171.9633 14 Y 3.7589 9.2339 118.9527 60.3893 37.3264 169.0412 15 G 3.1922 8.6066 122.3077 44.4752 0.0000 171.7252 16 A 3.9533 7.4189 124.2456 51.3691 18.8699 174.9679 17 G 3.6022 8.3544 102.7588 44.1498 0.0000 174.0058 18 S 4.3988 9.0232 115.2565 58.4342 63.6798 175.7341 19 R 2.9191 8.0270 119.7549 54.8909 30.9647 178.6729 20 V 3.5076 9.0864 117.4069 61.9974 32.3979 168.1014 21 C 3.7219 7.7654 124.0974 58.9769 32.2059 173.8951 22 R 4.0598 8.4029 121.8489 59.2731 29.9451 177.6505 23 V 3.7820 7.9585 116.1170 65.0203 31.7455 175.4726 24 C 4.7412 7.7641 112.9625 56.1839 31.4284 174.4289 25 G 3.8788 8.3395 112.6082 44.2356 0.0000 171.8314 26 N 5.0267 7.8245 121.9529 51.6744 42.5813 174.5854 27 S 4.2171 8.8295 120.1908 61.6352 63.1968 174.6435 28 H 4.5814 7.6563 117.6640 54.7107 30.4736 174.2860 29 G 3.6900 7.1780 113.9043 45.6110 0.0000 171.8331 30 L 4.7241 7.8543 119.2336 52.6455 43.4023 177.3222 31 I 3.7291 8.3061 122.7390 64.1076 38.2292 176.1332 32 R 4.2532 7.5937 122.1495 59.6296 29.2366 174.4535 33 K 3.9381 10.1926 127.0717 55.3722 29.4279 175.3509 34 Y 3.4658 7.3683 115.4141 58.9431 37.4926 167.8756 35 G 4.1094 7.5032 110.7722 44.1488 0.0000 169.7843 36 L 5.0641 7.9072 119.2436 54.4332 43.7839 174.8387 37 M 4.9320 8.0245 113.7257 53.0237 31.9625 172.8992 38 C 4.7563 7.6995 119.2887 59.4330 36.9888 176.0009 39 C 3.6994 8.1086 119.4253 62.5235 30.6677 175.7240 40 R 3.7007 7.0744 117.4692 59.3633 29.9738 178.5697 41 Q 4.1085 7.7889 118.6962 59.3029 28.8967 177.8113 42 C 4.2080 8.4380 117.3162 62.9606 28.5171 175.8114 43 F 4.5607 8.4441 121.5332 61.1740 38.1903 178.4940 *44 R 4.0433 7.9290 122.2676 62.2172 29.2202 181.8250 *45 S 4.4750 8.1525 117.1430 61.5997 62.5720 177.9612 *46 D 4.4644 8.0636 118.1099 53.7682 41.2600 180.6335 47 A 3.5375 8.8881 124.5584 52.3158 16.9454 180.8592 *48 K 3.6816 9.3040 122.3993 55.6147 31.8860 178.4663 *49 D 4.7656 8.2236 119.4162 52.5518 40.6060 179.5243 *50 I 4.0787 8.2312 122.8161 59.8431 36.3384 172.8814 51 G 4.0705 9.4021 115.0042 45.0130 0.0000 173.5211 *52 F 4.6386 7.8495 119.2791 54.4516 40.9924 179.9467 *53 I 4.5188 7.8166 127.6953 59.6914 37.9835 170.8959 *54 K 4.5460 8.2461 130.1530 53.6279 35.3584 172.8275 *55 Y 3.7427 8.6400 115.0803 57.7162 35.2818 165.7912 *56 R 4.2864 7.8464 119.8113 57.4803 29.4655 181.4227 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 *9 S 8.43 4.42 0.00 3.65 3.85 0.00 0.00 0.00 0.00 0.00 0.00 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 H 7.80 4.94 0.00 2.99 2.91 0.00 7.11 0.00 0.00 0.00 0.00 6.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 11 P 0.00 4.73 0.00 2.13 1.92 0.00 3.72 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 1.94 0.00 12 K 8.38 4.63 0.00 1.72 1.73 0.00 1.75 0.00 0.00 1.64 0.00 0.00 2.92 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.35 1.38 7.81 13 N 8.89 4.90 0.00 2.68 2.76 0.00 0.00 7.32 7.54 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 14 Y 9.23 3.76 0.00 3.03 3.29 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 0.00 15 G 8.61 3.19 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 0.00 0.00 0.00 16 A 7.42 3.95 1.09 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 0.00 0.00 17 G 8.35 3.60 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 0.00 0.00 0.00 0.00 0.00 0.00 18 S 9.02 4.40 0.00 3.99 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 19 R 8.03 2.92 0.00 2.11 1.86 0.00 3.40 0.00 0.00 3.19 7.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.76 0.00 20 V 9.09 3.51 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 0.61 0.00 0.00 0.91 0.00 0.00 21 C 7.77 3.72 0.00 2.62 2.63 0.00 0.00 0.00 0.00 0.00 0.00 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 R 8.40 4.06 0.00 1.89 1.98 0.00 3.37 0.00 0.00 3.24 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.66 0.00 23 V 7.96 3.78 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.01 0.00 0.00 1.10 0.00 0.00 24 C 7.76 4.74 0.00 3.03 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 25 G 8.34 3.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 N 7.82 5.03 0.00 2.59 2.86 0.00 0.00 7.29 7.63 0.00 0.00 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 S 8.83 4.22 0.00 3.90 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 28 H 7.66 4.58 0.00 3.17 3.37 0.00 6.04 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 29 G 7.18 3.69 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 0.00 0.00 0.00 30 L 7.85 4.72 0.00 1.55 1.52 0.85 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.20 0.00 0.00 0.00 0.00 0.00 0.00 31 I 8.31 3.73 1.86 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 1.44 1.36 0.91 0.00 0.00 32 R 7.59 4.25 0.00 1.85 1.91 0.00 3.25 0.00 0.00 3.23 7.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.66 0.00 33 K 10.19 3.94 0.00 1.84 2.14 0.00 1.86 0.00 0.00 1.65 0.00 0.00 2.93 0.00 0.00 2.68 0.00 0.00 0.00 0.00 1.28 1.22 7.81 34 Y 7.37 3.47 0.00 3.00 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 35 G 7.50 4.11 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 0.00 36 L 7.91 5.06 0.00 1.56 1.62 1.00 0.32 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 37 M 8.02 4.93 0.00 1.93 1.93 0.00 0.00 0.00 0.00 0.00 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.44 2.50 0.00 38 C 7.70 4.76 0.00 2.94 2.84 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 39 C 8.11 3.70 0.00 2.75 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 40 R 7.07 3.70 0.00 1.75 1.94 0.00 3.20 0.00 0.00 3.13 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.72 0.00 41 Q 7.79 4.11 0.00 2.14 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.40 6.91 0.00 0.00 0.00 0.00 0.00 2.42 2.52 0.00 42 C 8.44 4.21 0.00 3.01 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 43 F 8.44 4.56 0.00 3.23 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 *44 R 7.93 4.04 0.00 1.93 1.85 0.00 3.27 0.00 0.00 3.26 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.52 0.00 *45 S 8.15 4.48 0.00 3.62 3.81 0.00 0.00 0.00 0.00 0.00 0.00 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 D 8.06 4.46 0.00 2.69 2.62 0.00 0.00 0.00 0.00 0.00 0.00 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 A 8.89 3.54 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 *48 K 9.30 3.68 0.00 1.91 1.77 0.00 1.80 0.00 0.00 1.74 0.00 0.00 2.83 0.00 0.00 2.73 0.00 0.00 0.00 0.00 1.27 0.98 7.81 *49 D 8.22 4.77 0.00 2.67 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 *50 I 8.23 4.08 1.87 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 1.35 1.11 0.91 0.00 0.00 51 G 9.40 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 *52 F 7.85 4.64 0.00 2.26 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 0.00 0.00 0.00 *53 I 7.82 4.52 1.87 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 1.27 0.87 0.91 0.00 0.00 *54 K 8.25 4.55 0.00 1.70 1.58 0.00 1.78 0.00 0.00 1.74 0.00 0.00 2.86 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.25 0.99 7.81 *55 Y 8.64 3.74 0.00 2.45 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 *56 R 7.85 4.29 0.00 1.98 1.79 0.00 3.26 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 1.17 0.00 * Residues marked with a * may have inaccurate shift predictions.