NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 R 4.4314 8.2544 119.7431 55.8167 32.6562 177.5340 2 D 4.6232 7.8237 118.5886 53.8909 40.5440 178.1507 *4 C 4.6177 9.0592 112.4147 56.8006 42.7862 175.6934 5 C 3.7746 7.9235 118.4990 59.0567 43.1578 173.5310 6 Y 4.4221 7.0039 114.8031 58.4209 37.8303 175.7286 7 H 4.8958 8.1753 118.6781 52.6081 29.3877 172.7530 8 P 3.7346 0.0000 0.0000 64.0343 31.7597 177.0311 9 T 3.8628 7.9158 114.2396 67.2975 68.5666 176.4905 10 C 4.1601 8.1237 119.1214 59.6881 44.2265 174.8661 11 N 4.4857 7.9057 116.9811 54.9761 37.3381 176.8804 12 M 4.0134 8.2801 121.1082 58.4558 32.1613 178.1095 13 S 4.4974 8.2977 112.8203 59.2715 64.5769 174.9642 14 N 5.3194 8.0846 118.8775 51.1431 40.6900 172.7989 15 P 4.2840 0.0000 0.0000 65.5211 32.1863 178.8931 16 Q 4.0115 8.2135 115.7629 58.7956 28.3096 178.5147 17 I 3.9194 7.3020 110.9283 61.8452 38.4156 174.9251 18 C 4.4400 8.1968 125.8201 56.5104 44.6753 173.0847 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 8.25 4.43 0.00 1.47 1.81 0.00 3.36 0.00 0.00 3.23 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.20 0.00 2 D 7.82 4.62 0.00 2.74 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 0.00 0.00 0.00 *4 C 9.06 4.62 0.00 3.11 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 5 C 7.92 3.77 0.00 2.62 2.40 0.00 0.00 0.00 0.00 0.00 0.00 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 Y 7.00 4.42 0.00 2.79 2.93 0.00 0.00 0.00 0.00 0.00 0.00 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 H 8.18 4.90 0.00 3.10 3.16 0.00 5.65 0.00 0.00 0.00 0.00 6.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8 P 0.00 3.73 0.00 2.18 1.93 0.00 3.68 0.00 0.00 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.24 0.00 9 T 7.92 3.86 4.25 0.00 0.00 0.00 0.00 0.00 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 10 C 8.12 4.16 0.00 3.15 3.39 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 11 N 7.91 4.49 0.00 2.95 3.06 0.00 0.00 6.35 7.71 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 12 M 8.28 4.01 0.00 1.95 2.30 0.00 0.00 0.00 0.00 0.00 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.69 2.58 0.00 13 S 8.30 4.50 0.00 4.02 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 14 N 8.08 5.32 0.00 2.75 2.66 0.00 0.00 7.62 8.85 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 15 P 0.00 4.28 0.00 2.15 2.10 0.00 3.60 0.00 0.00 3.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.08 0.00 16 Q 8.21 4.01 0.00 2.18 2.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.00 7.16 0.00 0.00 0.00 0.00 0.00 2.40 2.30 0.00 17 I 7.30 3.92 1.80 0.00 0.00 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.60 0.88 0.00 0.00 18 C 8.20 4.44 0.00 2.76 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 * Residues marked with a * may have inaccurate shift predictions.