NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- -1 G 3.9788 8.1976 109.7364 45.8989 0.0000 176.2090 0 S 4.3736 7.8312 114.4967 58.6725 63.6815 174.5320 2 E 3.4195 8.5979 116.7019 59.5155 30.5912 179.2259 3 R 3.9937 7.5644 115.5508 59.0485 29.4036 178.5790 4 I 3.7867 7.4160 119.0887 63.5850 38.0154 177.8398 5 K 3.9365 7.9969 118.9459 59.6374 31.8799 178.8335 6 E 4.0126 8.2445 118.7233 59.2933 29.0843 178.9880 7 L 3.9039 7.4319 119.1307 58.2193 42.2616 178.4009 8 R 4.0310 7.9217 117.6451 59.6990 30.0243 177.8364 9 N 4.5282 8.4958 114.9617 56.1950 38.7898 179.6651 10 L 4.2276 7.9239 120.1436 54.3255 41.7930 178.2046 *12 S 4.4181 7.9193 111.3016 57.6059 64.8596 173.5112 13 Q 4.6179 7.6091 120.4126 53.5881 32.4234 176.0098 14 S 4.0824 8.6347 120.2646 61.5298 63.3861 176.2171 15 R 3.8462 8.0999 122.5092 59.6387 29.6819 178.2213 16 T 4.0859 7.8183 108.5040 64.2452 69.2753 176.1921 17 R 3.8600 8.2969 122.1176 59.6373 30.0956 178.0166 18 E 3.9598 8.1532 118.5954 59.3379 29.7704 178.8294 19 I 3.7784 7.4153 118.9152 64.3260 36.9057 178.4485 20 L 4.0792 7.9846 119.4264 57.5097 41.5477 178.9158 21 T 4.2196 7.7799 108.3266 62.9729 69.3180 175.6940 22 K 4.3650 7.8036 118.5710 56.5502 33.4686 176.2815 23 T 4.3783 7.6157 116.4458 62.4369 69.6375 174.7112 24 T 4.4066 8.0879 116.1382 60.0796 70.7388 175.7402 25 V 3.5747 8.4899 122.5489 66.4391 30.2728 176.8639 26 D 4.5890 8.3873 118.9330 57.9509 41.1125 177.7128 27 H 4.6789 7.9855 115.6321 55.8597 28.7592 177.0759 *29 A 4.3168 7.9251 123.0553 51.9254 20.6886 178.2582 30 I 4.1327 7.1040 114.1281 62.8857 38.6308 177.8979 31 I 3.8443 8.3232 121.8815 64.0516 36.9792 177.2005 32 K 4.4439 7.9342 118.3254 56.6387 32.0932 177.3699 33 K 3.9523 7.7480 117.4144 59.0233 32.0081 177.2614 34 Y 4.6547 7.3383 113.0189 57.8767 39.0134 175.8203 35 T 4.2404 7.6151 115.1341 61.9139 68.8697 173.5174 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 G 8.20 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 0.00 0.00 0.00 0 S 7.83 4.37 0.00 4.10 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 0.00 2 E 8.60 3.42 0.00 2.32 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 0.00 2.33 2.28 0.00 3 R 7.56 3.99 0.00 1.99 2.19 0.00 2.76 0.00 0.00 3.09 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 1.63 0.00 4 I 7.42 3.79 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 1.52 1.19 0.91 0.00 0.00 5 K 8.00 3.94 0.00 1.96 1.85 0.00 1.73 0.00 0.00 1.82 0.00 0.00 2.92 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.53 1.54 7.81 6 E 8.24 4.01 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 2.33 2.60 0.00 7 L 7.43 3.90 0.00 1.80 1.85 0.92 1.35 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 8 R 7.92 4.03 0.00 1.84 2.24 0.00 3.49 0.00 0.00 3.22 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.84 0.00 9 N 8.50 4.53 0.00 2.86 2.87 0.00 0.00 7.11 7.79 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 10 L 7.92 4.23 0.00 1.86 1.70 0.92 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 *12 S 7.92 4.42 0.00 4.00 4.12 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 13 Q 7.61 4.62 0.00 2.17 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.95 0.00 0.00 0.00 0.00 0.00 2.50 2.31 0.00 14 S 8.63 4.08 0.00 4.04 4.12 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 15 R 8.10 3.85 0.00 1.94 1.99 0.00 3.22 0.00 0.00 3.39 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.78 0.00 16 T 7.82 4.09 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 17 R 8.30 3.86 0.00 2.07 2.10 0.00 3.09 0.00 0.00 3.09 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.67 0.00 18 E 8.15 3.96 0.00 2.15 2.22 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 2.31 2.40 0.00 19 I 7.42 3.78 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 1.53 1.14 0.92 0.00 0.00 20 L 7.98 4.08 0.00 1.90 1.73 0.92 0.77 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 21 T 7.78 4.22 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 1.29 0.00 0.00 22 K 7.80 4.36 0.00 1.85 1.89 0.00 1.71 0.00 0.00 1.70 0.00 0.00 3.01 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.53 1.53 7.81 23 T 7.62 4.38 4.35 0.00 0.00 0.00 0.00 0.00 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 24 T 8.09 4.41 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 1.14 0.00 0.00 25 V 8.49 3.57 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 0.82 0.00 0.00 0.93 0.00 0.00 26 D 8.39 4.59 0.00 2.74 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 27 H 7.99 4.68 0.00 3.39 3.28 0.00 5.66 0.00 0.00 0.00 0.00 6.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *29 A 7.93 4.32 1.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 I 7.10 4.13 1.92 0.00 0.00 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 1.52 1.02 0.00 0.00 31 I 8.32 3.84 1.99 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 1.14 0.96 0.00 0.00 32 K 7.93 4.44 0.00 1.73 1.80 0.00 1.77 0.00 0.00 1.69 0.00 0.00 2.96 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.39 1.45 7.81 33 K 7.75 3.95 0.00 1.51 0.96 0.00 1.61 0.00 0.00 1.59 0.00 0.00 2.92 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.23 1.24 7.81 34 Y 7.34 4.65 0.00 3.03 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 35 T 7.62 4.24 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 1.36 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.