NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- *1 V 4.0198 7.9127 117.9084 60.5574 33.6977 175.0886 2 H 4.4981 8.5176 121.8343 54.5100 29.7442 172.8857 3 T 4.5546 8.4342 117.4179 59.6475 72.5489 172.9615 4 N 4.9322 8.2573 117.9435 53.2610 39.7229 174.2079 5 I 4.0482 7.8010 118.8869 59.9673 38.5017 173.6196 6 P 4.9373 0.0000 0.0000 63.0299 31.6659 174.0467 7 C 4.9217 8.4075 119.5101 54.2724 44.4389 173.1148 8 R 4.2942 8.8082 115.5481 56.9087 32.0878 175.7733 9 G 4.2836 7.6069 104.3070 43.9665 0.0000 173.4176 10 T 3.8995 8.7165 117.9849 66.7649 68.6928 178.3262 11 S 4.3292 7.6858 115.3662 57.1041 61.6864 172.7520 12 D 4.8388 8.1640 120.1375 54.3209 47.3800 177.0790 13 C 4.4339 8.4573 118.1923 58.1859 38.7300 173.8933 14 Y 4.2945 8.3216 118.1989 57.9211 37.9122 177.1040 15 E 4.1276 7.6889 123.2091 58.4465 29.5713 177.1569 16 P 4.2703 0.0000 0.0000 65.8606 31.3312 178.8841 17 C 3.4666 7.2215 119.1087 58.7641 39.7682 175.4773 18 E 4.0214 7.5273 120.4313 59.4277 29.0094 179.3452 19 K 3.9887 8.1119 117.3621 59.5413 32.0215 178.5215 20 K 4.2445 8.1660 119.1613 58.5198 32.0870 177.7347 21 Y 4.3805 7.5220 118.2407 57.7973 38.9658 174.9514 22 N 4.9319 7.5539 117.0190 53.7534 37.9754 173.6102 23 C 3.8423 7.6384 113.9218 55.1052 47.7057 174.8688 24 A 3.4119 8.0445 121.6303 51.3958 16.2989 177.7648 25 R 3.7754 8.9587 107.1170 58.4660 27.8639 175.7746 26 A 4.6203 8.0955 117.0911 50.7332 21.5725 177.4058 27 K 4.9322 8.5875 119.9978 53.8405 35.1452 175.0962 28 C 5.5456 8.8066 128.6468 55.2430 42.1079 171.9609 29 M 4.6198 8.1010 122.1600 54.0167 34.5937 175.4340 30 N 4.1680 8.9753 116.4942 56.7532 36.1256 174.2681 31 R 3.8226 7.8401 106.1040 56.7308 29.4057 175.2880 32 H 5.9172 7.9502 113.3016 55.3872 34.2193 172.3035 33 C 4.8637 8.7216 116.8541 57.3621 40.4350 173.0468 34 N 5.4110 9.3650 121.0745 52.8876 40.0916 172.8311 35 C 4.4529 8.4765 122.3037 55.0856 43.0268 172.4127 36 Y 4.4314 8.2286 113.3606 57.0587 39.6211 175.0440 37 N 4.2088 8.3139 115.5351 54.2816 36.3025 174.7525 38 N 4.5157 8.2495 114.8989 54.3788 39.3405 174.5549 39 C 4.1438 7.6826 113.3509 54.3844 41.1191 171.1829 40 P 4.1262 0.0000 0.0000 63.9862 31.4962 176.4138 41 W 3.8655 8.9918 122.0875 57.4617 29.1161 174.4218 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 V 7.91 4.02 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 0.82 0.00 0.00 0.79 0.00 0.00 2 H 8.52 4.50 0.00 3.10 3.26 0.00 5.85 0.00 0.00 0.00 0.00 7.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 3 T 8.43 4.55 4.29 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 1.45 0.00 0.00 4 N 8.26 4.93 0.00 2.61 2.75 0.00 0.00 6.99 7.86 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 5 I 7.80 4.05 1.86 0.00 0.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.52 0.88 0.00 0.00 6 P 0.00 4.94 0.00 2.05 2.09 0.00 3.71 0.00 0.00 3.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.97 0.00 7 C 8.41 4.92 0.00 2.90 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 8 R 8.81 4.29 0.00 1.73 1.92 0.00 3.22 0.00 0.00 3.23 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.57 0.00 9 G 7.61 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 0.00 0.00 0.00 0.00 10 T 8.72 3.90 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 1.09 0.00 0.00 11 S 7.69 4.33 0.00 3.70 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 12 D 8.16 4.84 0.00 2.80 2.70 0.00 0.00 0.00 0.00 0.00 0.00 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 C 8.46 4.43 0.00 3.14 3.10 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 14 Y 8.32 4.29 0.00 3.38 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 E 7.69 4.13 0.00 2.13 1.85 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 1.95 2.17 0.00 16 P 0.00 4.27 0.00 2.07 2.19 0.00 3.50 0.00 0.00 3.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 1.88 0.00 17 C 7.22 3.47 0.00 2.89 3.00 0.00 0.00 0.00 0.00 0.00 0.00 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 E 7.53 4.02 0.00 1.92 1.95 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 2.13 2.14 0.00 19 K 8.11 3.99 0.00 1.64 1.81 0.00 1.59 0.00 0.00 1.64 0.00 0.00 2.97 0.00 0.00 3.21 0.00 0.00 0.00 0.00 1.42 1.47 7.81 20 K 8.17 4.24 0.00 1.25 1.77 0.00 1.67 0.00 0.00 1.59 0.00 0.00 2.64 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.35 1.45 7.81 21 Y 7.52 4.38 0.00 3.05 2.96 0.00 0.00 0.00 0.00 0.00 0.00 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 N 7.55 4.93 0.00 2.79 3.00 0.00 0.00 7.01 7.67 0.00 0.00 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 C 7.64 3.84 0.00 2.84 2.89 0.00 0.00 0.00 0.00 0.00 0.00 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 A 8.04 3.41 1.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 8.96 3.78 0.00 2.05 2.07 0.00 3.44 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 1.69 1.44 0.00 26 A 8.10 4.62 1.29 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 0.00 0.00 27 K 8.59 4.93 0.00 1.86 1.65 0.00 1.73 0.00 0.00 1.71 0.00 0.00 2.84 0.00 0.00 3.25 0.00 0.00 0.00 0.00 1.34 1.22 7.81 28 C 8.81 5.55 0.00 3.18 3.02 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 29 M 8.10 4.62 0.00 2.08 1.95 0.00 0.00 0.00 0.00 0.00 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.61 2.49 0.00 30 N 8.98 4.17 0.00 2.95 2.92 0.00 0.00 7.25 7.66 0.00 0.00 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 R 7.84 3.82 0.00 1.85 2.09 0.00 3.10 0.00 0.00 3.35 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.55 0.00 32 H 7.95 5.92 0.00 3.27 3.33 0.00 5.81 0.00 0.00 0.00 0.00 6.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 33 C 8.72 4.86 0.00 2.88 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 34 N 9.36 5.41 0.00 2.70 2.56 0.00 0.00 7.04 7.38 0.00 0.00 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 C 8.48 4.45 0.00 2.91 3.18 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 0.00 36 Y 8.23 4.43 0.00 2.85 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 37 N 8.31 4.21 0.00 2.82 2.84 0.00 0.00 6.90 7.84 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 38 N 8.25 4.52 0.00 2.68 2.81 0.00 0.00 7.23 7.68 0.00 0.00 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 7.68 4.14 0.00 1.23 1.71 0.00 0.00 0.00 0.00 0.00 0.00 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 P 0.00 4.13 0.00 2.34 2.27 0.00 4.22 0.00 0.00 3.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.23 2.26 0.00 41 W 8.99 3.87 0.00 3.44 3.11 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 * Residues marked with a * may have inaccurate shift predictions.