NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.4564 8.3049 118.1942 54.9239 32.4852 174.6332 2 V 3.4992 8.7470 118.2115 63.6993 31.6655 174.9710 3 I 4.1800 8.0154 122.1334 59.7888 38.9257 174.8067 4 A 4.8058 8.2253 128.2492 50.3808 21.5406 177.4422 5 T 3.8766 8.4824 116.5000 67.0417 68.2627 176.6280 6 D 4.3951 8.1298 119.0231 57.6211 40.9297 178.1069 7 D 4.5446 7.9631 117.1780 55.9382 41.2389 176.8467 8 L 4.6847 8.0224 119.8466 55.8340 43.9115 176.3730 9 E 5.1336 7.8653 113.1953 55.2844 32.0704 175.0463 10 V 4.4832 9.6245 122.4145 60.7250 34.3569 174.6625 11 A 4.3089 8.5301 128.9500 51.8041 18.8685 176.7897 12 C 4.0430 8.8467 123.3744 58.8944 31.8297 172.6672 13 P 4.3037 0.0000 0.0000 65.0447 31.3622 177.6516 14 K 4.1116 8.1550 119.9910 58.7728 32.5682 178.0601 15 C 4.6877 7.7608 113.2195 63.3982 29.6953 175.5727 16 E 3.9247 7.1368 117.9053 60.9791 25.3714 177.6098 17 R 4.2975 8.6038 119.8650 56.9110 30.4481 177.3990 18 A 4.0270 9.0220 120.8538 55.2073 18.4657 177.8190 19 G 3.8345 8.2118 101.9320 45.5401 0.0000 173.5902 *23 G 3.6270 7.7041 106.8319 45.4842 0.0000 171.5615 24 T 4.6250 8.0283 114.6957 58.0457 72.1350 171.3669 25 P 4.1260 0.0000 0.0000 62.8929 31.0010 175.6493 26 C 3.8137 8.8749 123.6257 59.2510 31.6910 172.8539 27 P 4.2695 0.0000 0.0000 65.5591 31.4931 177.4905 28 A 4.1185 8.1971 121.2969 54.4593 18.3597 177.5781 29 C 4.5368 7.9917 107.9641 57.2062 31.0202 173.7668 30 S 3.5431 8.4649 115.5729 59.8987 60.1719 173.4189 31 G 4.0177 8.4372 107.2402 45.7038 0.0000 175.4979 32 K 3.9423 7.7100 119.7531 57.5562 31.9201 179.0410 33 G 4.0715 9.5093 105.5505 45.2473 0.0000 172.6806 34 V 4.6619 7.1500 116.7853 60.6082 34.0456 172.9690 35 I 4.4708 8.6796 125.5914 59.5573 39.2823 175.0840 36 L 4.2326 8.3953 126.8985 54.5240 42.8735 176.8958 37 T 4.3812 8.4302 112.9701 60.9009 70.6580 175.7229 38 A 4.0902 8.7641 122.7773 55.5289 18.3287 179.3650 39 Q 4.1075 7.7571 119.0316 58.5817 28.9745 178.6503 40 G 3.6275 8.1095 106.6446 48.0713 0.0000 174.8813 41 Y 4.1555 8.0438 119.8693 61.0259 37.5350 178.8796 42 T 4.1459 8.2171 116.4541 67.0118 68.5636 176.3045 43 L 4.0916 7.8287 119.7473 57.7983 41.7062 179.3703 44 L 3.9612 8.0617 120.1742 58.2871 42.0562 178.4290 45 D 4.3814 8.9960 118.9188 57.3068 41.1924 177.9682 46 F 4.1516 8.2569 120.7812 61.3274 39.3673 177.2203 47 I 3.5614 8.1191 119.4986 64.4832 36.7528 178.2670 48 Q 3.8878 8.1653 119.3895 59.0039 28.9404 177.9132 49 K 3.9922 7.7992 119.5375 58.4882 32.2841 176.8131 50 H 4.7135 6.9905 112.3604 54.8177 30.6903 173.7527 51 L 3.8308 7.8815 122.5122 56.1653 42.2833 176.4582 52 N 4.5037 8.8406 122.1548 53.9442 38.7173 173.9266 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 2.14 2.16 0.00 0.00 0.00 0.00 0.00 -0.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.46 2.57 0.00 2 V 8.75 3.50 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 0.69 0.00 0.00 0.92 0.00 0.00 3 I 8.02 4.18 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 0.52 0.91 0.00 0.00 4 A 8.23 4.81 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 5 T 8.48 3.88 4.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 6 D 8.13 4.40 0.00 2.64 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 7 D 7.96 4.54 0.00 2.88 2.73 0.00 0.00 0.00 0.00 0.00 0.00 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 L 8.02 4.68 0.00 1.75 1.68 0.92 0.66 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 9 E 7.87 5.13 0.00 1.89 1.84 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 2.15 2.26 0.00 10 V 9.62 4.48 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 1.03 0.00 0.00 1.00 0.00 0.00 11 A 8.53 4.31 1.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 C 8.85 4.04 0.00 2.96 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 13 P 0.00 4.30 0.00 2.22 2.17 0.00 3.81 0.00 0.00 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.96 0.00 14 K 8.15 4.11 0.00 1.74 1.86 0.00 1.75 0.00 0.00 1.76 0.00 0.00 3.02 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.40 1.42 7.81 15 C 7.76 4.69 0.00 3.12 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 16 E 7.14 3.92 0.00 2.02 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 2.30 2.31 0.00 17 R 8.60 4.30 0.00 1.93 2.09 0.00 3.10 0.00 0.00 3.88 7.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.63 0.00 18 A 9.02 4.03 1.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 G 8.21 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 G 7.70 3.63 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 0.00 0.00 0.00 24 T 8.03 4.62 4.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 25 P 0.00 4.13 0.00 2.20 2.15 0.00 3.80 0.00 0.00 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.96 0.00 26 C 8.87 3.81 0.00 2.97 2.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 27 P 0.00 4.27 0.00 2.22 2.16 0.00 3.83 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 1.96 0.00 28 A 8.20 4.12 1.31 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 0.00 0.00 0.00 29 C 7.99 4.54 0.00 3.09 3.15 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 0.00 0.00 0.00 30 S 8.46 3.54 0.00 4.01 3.98 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 31 G 8.44 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 0.00 0.00 0.00 32 K 7.71 3.94 0.00 1.84 1.84 0.00 1.72 0.00 0.00 1.63 0.00 0.00 2.92 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.63 1.53 7.81 33 G 9.51 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 34 V 7.15 4.66 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 0.58 0.00 0.00 0.98 0.00 0.00 35 I 8.68 4.47 1.88 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 1.23 0.91 0.93 0.00 0.00 36 L 8.40 4.23 0.00 1.27 1.44 0.53 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 37 T 8.43 4.38 4.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.00 0.00 38 A 8.76 4.09 1.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 Q 7.76 4.11 0.00 2.19 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.84 0.00 0.00 0.00 0.00 0.00 2.44 2.38 0.00 40 G 8.11 3.63 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 0.00 0.00 0.00 41 Y 8.04 4.16 0.00 3.24 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 42 T 8.22 4.15 4.41 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 1.24 0.00 0.00 43 L 7.83 4.09 0.00 1.88 1.78 0.94 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 44 L 8.06 3.96 0.00 1.76 1.67 0.91 0.97 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 45 D 9.00 4.38 0.00 2.97 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 46 F 8.26 4.15 0.00 3.31 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 47 I 8.12 3.56 2.03 0.00 0.00 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 1.87 0.78 0.91 0.00 0.00 48 Q 8.17 3.89 0.00 1.99 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.15 7.01 0.00 0.00 0.00 0.00 0.00 2.35 2.33 0.00 49 K 7.80 3.99 0.00 1.87 1.42 0.00 1.74 0.00 0.00 1.45 0.00 0.00 2.94 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.25 1.37 7.81 50 H 6.99 4.71 0.00 2.73 3.04 0.00 5.72 0.00 0.00 0.00 0.00 6.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 51 L 7.88 3.83 0.00 1.77 1.54 0.91 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.00 0.00 0.00 0.00 0.00 0.00 52 N 8.84 4.50 0.00 2.84 2.74 0.00 0.00 6.96 7.56 0.00 0.00 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.