NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 R 4.4337 8.1133 121.1200 56.1187 30.8262 172.2211 2 I 4.7095 9.9624 123.4727 58.9261 39.8219 173.2802 3 C 5.0351 9.3391 125.6952 54.5049 43.8691 173.1028 4 F 4.8905 8.1977 119.1490 58.2918 39.1251 174.9741 5 N 5.8131 9.2107 117.9306 51.5348 38.5652 173.7902 6 Q 4.7150 8.1811 117.5567 55.2613 31.3500 174.6052 7 H 4.5152 9.1102 117.8497 57.7609 29.5029 176.6225 8 S 3.3224 9.5891 119.9026 63.7448 62.1218 174.6952 9 S 3.3728 7.9440 111.1264 59.9481 59.6646 169.9937 10 Q 3.7637 8.1099 126.5500 52.8297 30.0740 176.3701 11 P 4.2755 0.0000 0.0000 62.7747 31.7013 176.5172 12 Q 4.1386 8.6078 121.4442 56.1347 29.3295 175.7240 13 T 4.8318 8.4653 112.6569 60.3806 72.1437 173.0815 14 T 5.0618 8.2892 117.5265 61.7560 73.2552 173.2517 15 K 4.5148 8.5860 123.4331 54.6603 35.3708 175.5611 16 T 4.2636 8.7238 124.3346 64.6374 68.8834 174.9862 17 C 4.8200 8.6433 124.7047 55.5065 37.8584 173.4447 18 S 4.5255 8.4166 114.1823 56.8561 63.6310 171.9722 19 P 4.2176 0.0000 0.0000 64.5587 31.5341 174.7849 20 G 4.2223 9.1982 113.8433 46.0953 0.0000 173.5569 21 E 3.9255 7.5737 122.3134 56.3474 29.4872 176.3102 22 S 4.5986 8.5140 120.3817 58.7543 64.9309 174.5354 23 S 4.8618 8.1601 117.7570 58.6279 64.4093 172.3559 24 C 5.6998 9.5468 118.0166 55.5758 40.9704 172.9265 25 Y 5.4379 8.4307 118.0708 55.5590 41.4463 173.7160 26 H 5.0457 10.4550 121.9495 54.5522 32.7693 172.2453 27 K 5.3499 9.7602 125.4704 54.8840 35.4287 175.1369 28 Q 4.9941 9.4629 124.2732 54.6071 32.1616 174.1876 29 W 5.2061 8.1970 123.9534 57.7168 31.6125 173.6817 30 S 4.5872 8.5682 112.9796 58.5091 64.3576 174.9979 31 D 4.4594 7.9616 119.4017 53.1476 42.4951 176.8623 32 F 4.3771 8.5068 113.4971 59.5825 37.5102 176.2450 33 R 4.4230 8.3675 118.2156 55.0389 33.1550 177.3873 34 G 4.0838 6.4488 106.2293 46.8060 0.0000 171.7738 35 T 4.7911 7.9582 121.3539 61.7323 71.6231 173.4048 36 I 4.3956 8.1250 123.3030 59.4622 42.0858 174.1076 37 I 4.8808 7.8817 123.6526 59.3294 41.1120 173.5682 38 E 5.1241 9.4904 130.1112 54.4993 33.0298 174.4938 39 R 4.7193 7.2612 123.2073 53.6366 34.0077 175.2821 40 G 4.0954 6.7080 108.1572 46.0087 0.0000 171.8969 41 C 5.2248 9.7674 117.2666 55.3052 41.3552 173.5391 42 G 4.5168 7.5122 110.3815 44.4059 0.0000 172.5564 43 C 4.7122 8.4988 115.8084 55.5571 44.6485 171.1722 44 P 3.7251 0.0000 0.0000 59.3063 33.6124 176.0404 45 T 4.2082 8.2066 117.0485 63.1886 68.4944 174.7410 46 V 4.1285 8.9111 125.0355 60.7946 33.3471 173.8037 47 K 3.6203 9.1406 117.9062 55.5635 33.1463 173.6171 48 P 3.9891 0.0000 0.0000 65.7154 27.1431 174.8520 49 G 4.0680 9.2649 108.4825 44.7267 0.0000 173.0813 50 I 3.2228 7.0382 109.0255 60.6044 38.5324 175.1261 51 K 3.8997 8.1131 117.8787 56.0189 28.9142 174.5919 52 L 5.4204 7.4686 117.7780 54.1346 43.9663 177.5855 53 S 4.7242 8.9123 114.7378 57.1256 66.2518 171.7169 54 C 5.9471 9.2531 123.8084 54.4250 39.2485 172.1448 55 C 5.2167 8.6755 117.6499 52.3043 44.7069 172.2332 56 E 4.0767 8.4067 120.8902 55.1188 28.6966 174.9639 57 S 4.4439 7.3594 113.0126 57.8971 66.0036 175.6618 58 E 3.7883 8.6047 122.0126 58.8207 29.2521 179.5030 *59 V 3.4443 7.4584 119.8522 62.1638 30.6956 169.6927 60 C 3.8834 7.7573 114.4779 58.9450 42.4881 174.9729 61 N 4.7800 7.9567 114.2402 51.7614 37.6031 174.3642 62 N 4.2630 8.1342 121.7616 54.3949 40.3621 174.1572 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 4.43 0.00 2.23 1.89 0.00 3.14 0.00 0.00 3.30 7.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 1.72 0.00 2 I 9.96 4.71 1.77 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.61 0.84 0.00 0.00 3 C 9.34 5.04 0.00 2.79 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 4 F 8.20 4.89 0.00 2.91 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 5 N 9.21 5.81 0.00 2.67 2.79 0.00 0.00 6.88 6.94 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 6 Q 8.18 4.71 0.00 2.14 2.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.43 7.14 0.00 0.00 0.00 0.00 0.00 2.53 2.40 0.00 7 H 9.11 4.52 0.00 3.49 3.46 0.00 5.48 0.00 0.00 0.00 0.00 6.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8 S 9.59 3.32 0.00 3.89 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 9 S 7.94 3.37 0.00 3.80 4.02 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 10 Q 8.11 3.76 0.00 2.20 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.64 6.58 0.00 0.00 0.00 0.00 0.00 2.62 2.40 0.00 11 P 0.00 4.28 0.00 2.06 2.04 0.00 3.67 0.00 0.00 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.10 0.00 12 Q 8.61 4.14 0.00 2.11 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.82 0.00 0.00 0.00 0.00 0.00 2.36 2.28 0.00 13 T 8.47 4.83 4.27 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 1.23 0.00 0.00 14 T 8.29 5.06 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 1.15 0.00 0.00 15 K 8.59 4.51 0.00 1.76 1.55 0.00 1.65 0.00 0.00 1.64 0.00 0.00 2.88 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.31 1.38 7.81 16 T 8.72 4.26 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 1.20 0.00 0.00 17 C 8.64 4.82 0.00 3.05 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 18 S 8.42 4.53 0.00 4.01 3.99 0.00 0.00 0.00 0.00 0.00 0.00 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 P 0.00 4.22 0.00 2.20 2.11 0.00 3.73 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 1.99 1.97 0.00 20 G 9.20 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 0.00 0.00 0.00 0.00 21 E 7.57 3.93 0.00 2.06 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 2.35 2.44 0.00 22 S 8.51 4.60 0.00 4.00 3.95 0.00 0.00 0.00 0.00 0.00 0.00 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 S 8.16 4.86 0.00 4.07 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 24 C 9.55 5.70 0.00 2.78 2.99 0.00 0.00 0.00 0.00 0.00 0.00 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 Y 8.43 5.44 0.00 3.16 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 26 H 10.46 5.05 0.00 3.37 3.17 0.00 5.55 0.00 0.00 0.00 0.00 6.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 27 K 9.76 5.35 0.00 2.15 1.91 0.00 2.38 0.00 0.00 2.03 0.00 0.00 2.83 0.00 0.00 2.68 0.00 0.00 0.00 0.00 1.51 1.80 7.81 28 Q 9.46 4.99 0.00 2.06 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.49 6.59 0.00 0.00 0.00 0.00 0.00 2.22 2.34 0.00 29 W 8.20 5.21 0.00 3.42 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 30 S 8.57 4.59 0.00 3.93 3.79 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 31 D 7.96 4.46 0.00 2.94 3.01 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 0.00 0.00 0.00 32 F 8.51 4.38 0.00 3.56 3.54 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 33 R 8.37 4.42 0.00 1.54 1.82 0.00 3.05 0.00 0.00 3.11 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.61 0.00 34 G 6.45 4.08 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 0.00 0.00 0.00 35 T 7.96 4.79 4.09 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 1.15 0.00 0.00 36 I 8.13 4.40 0.56 0.00 0.00 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.17 0.19 0.47 0.00 0.00 37 I 7.88 4.88 1.76 0.00 0.00 0.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.03 1.17 0.78 0.00 0.00 38 E 9.49 5.12 0.00 2.33 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 2.39 2.43 0.00 39 R 7.26 4.72 0.00 1.77 1.83 0.00 3.12 0.00 0.00 3.48 7.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.49 0.00 40 G 6.71 4.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 C 9.77 5.22 0.00 2.94 3.07 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 42 G 7.51 4.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 C 8.50 4.71 0.00 2.95 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 44 P 0.00 3.73 0.00 1.97 1.76 0.00 3.66 0.00 0.00 3.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.93 0.00 45 T 8.21 4.21 4.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.00 0.00 46 V 8.91 4.13 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 0.73 0.00 0.00 0.94 0.00 0.00 47 K 9.14 3.62 0.00 1.80 1.86 0.00 1.64 0.00 0.00 1.75 0.00 0.00 2.77 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.24 1.08 7.81 48 P 0.00 3.99 0.00 2.09 2.12 0.00 3.68 0.00 0.00 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 2.11 0.00 49 G 9.26 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 50 I 7.04 3.22 1.91 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.36 1.02 0.00 0.00 51 K 8.11 3.90 0.00 2.16 1.96 0.00 1.65 0.00 0.00 1.91 0.00 0.00 3.03 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.47 1.48 7.81 52 L 7.47 5.42 0.00 1.74 1.70 0.94 0.92 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 53 S 8.91 4.72 0.00 3.89 3.74 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 54 C 9.25 5.95 0.00 2.90 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 55 C 8.68 5.22 0.00 2.97 3.17 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 56 E 8.41 4.08 0.00 2.08 2.10 0.00 0.00 0.00 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 2.39 0.00 57 S 7.36 4.44 0.00 3.93 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 58 E 8.60 3.79 0.00 1.98 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.39 2.25 0.00 *59 V 7.46 3.44 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 0.72 0.00 0.00 0.93 0.00 0.00 60 C 7.76 3.88 0.00 3.16 3.34 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 61 N 7.96 4.78 0.00 2.90 3.01 0.00 0.00 5.86 8.04 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 62 N 8.13 4.26 0.00 2.55 2.61 0.00 0.00 6.75 7.44 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 * Residues marked with a * may have inaccurate shift predictions.