NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 C 5.4717 8.4016 117.9300 57.4034 40.6422 172.3786 3 Y 4.3524 8.0124 124.0984 55.6228 41.8128 173.3135 4 C 6.1912 8.9531 124.1588 54.5765 41.1360 173.6181 5 S 4.5464 7.9317 118.8408 58.0036 64.5361 174.5494 6 L 4.6814 8.4008 120.8601 55.2118 41.3650 176.6649 7 R 4.5064 7.7114 114.9357 57.0242 32.5264 178.0507 8 G 4.2035 7.7653 102.2903 46.4679 0.0000 171.7125 9 D 4.7893 8.0100 119.7609 51.9300 43.1724 177.2712 10 C 6.3000 7.6123 125.5856 56.8383 40.5487 171.9541 11 Y 4.5884 5.8252 117.0140 57.2113 40.3711 175.0316 12 C 4.6731 9.1060 116.8284 57.5929 42.1211 174.0159 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 2 C 8.40 5.47 0.00 2.86 3.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 3 Y 8.01 4.35 0.00 2.97 2.57 0.00 0.00 0.00 0.00 0.00 0.00 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 8.95 6.19 0.00 2.89 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 5 S 7.93 4.55 0.00 3.86 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 6 L 8.40 4.68 0.00 1.63 1.66 0.94 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.00 0.00 0.00 0.00 0.00 0.00 7 R 7.71 4.51 0.00 1.74 1.89 0.00 3.27 0.00 0.00 3.23 7.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.64 0.00 8 G 7.77 4.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 D 8.01 4.79 0.00 2.72 2.53 0.00 0.00 0.00 0.00 0.00 0.00 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 C 7.61 6.30 0.00 3.06 3.16 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 0.00 0.00 0.00 0.00 11 Y 5.83 4.59 0.00 3.15 3.12 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 12 C 9.11 4.67 0.00 3.01 3.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00