NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 C 4.4798 8.3449 120.8392 59.4059 32.7248 172.1139 2 R 4.5304 8.2317 120.2110 53.3572 32.7042 173.7561 3 Q 4.3925 8.0761 120.1761 54.2103 32.3090 174.7433 *5 C 3.7558 8.4498 117.7599 58.2022 29.5436 173.0748 6 A 4.4331 7.4950 127.5546 52.3256 20.1884 176.5607 7 F 4.9700 6.3846 109.6541 55.8981 37.6725 172.5195 8 G 4.2464 7.4499 109.0461 43.4826 0.0000 169.9058 9 P 4.4005 0.0000 0.0000 64.5021 31.9995 176.2569 10 F 4.1804 7.9630 113.3619 57.8074 41.3184 175.3107 *12 F 4.7258 8.4540 121.2470 56.7178 40.4118 177.0095 13 V 3.2057 7.1190 120.9988 65.4159 31.6702 173.8085 14 C 3.7422 7.6176 119.3774 59.5108 27.4906 172.8596 *16 G 3.9999 8.2564 111.5834 45.4084 0.0000 171.3259 17 N 4.8952 8.2844 115.0696 50.7799 40.1116 174.6602 *19 K 4.1082 8.6539 119.5100 56.8245 32.5589 175.6272 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 C 8.34 4.48 0.00 2.96 2.94 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 0.00 0.00 0.00 0.00 2 R 8.23 4.53 0.00 1.87 1.80 0.00 3.26 0.00 0.00 3.20 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.74 0.00 3 Q 8.08 4.39 0.00 1.96 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.13 6.71 0.00 0.00 0.00 0.00 0.00 2.14 2.40 0.00 *5 C 8.45 3.76 0.00 2.85 2.79 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 6 A 7.49 4.43 1.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 F 6.38 4.97 0.00 3.16 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 8 G 7.45 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 0.00 0.00 0.00 0.00 9 P 0.00 4.40 0.00 2.36 2.24 0.00 3.68 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.04 0.00 10 F 7.96 4.18 0.00 3.32 3.22 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 *12 F 8.45 4.73 0.00 3.21 3.23 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 13 V 7.12 3.21 1.74 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 0.56 0.00 0.00 0.02 0.00 0.00 14 C 7.62 3.74 0.00 3.11 2.94 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 0.00 0.00 0.00 0.00 *16 G 8.26 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 17 N 8.28 4.90 0.00 2.80 2.93 0.00 0.00 6.00 7.16 0.00 0.00 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 K 8.65 4.11 0.00 1.87 1.85 0.00 1.84 0.00 0.00 1.85 0.00 0.00 2.94 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.39 1.49 7.81 * Residues marked with a * may have inaccurate shift predictions.