NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 K 4.3435 8.3149 122.0563 56.0435 33.3190 175.5539 2 L 4.1708 8.7459 127.3821 53.0078 42.2990 174.6692 3 P 4.3700 0.0000 0.0000 62.7576 32.8068 175.1344 4 P 4.8721 0.0000 0.0000 62.5976 33.8216 176.4194 5 G 3.7044 9.0137 107.6545 46.5609 0.0000 173.1334 6 W 4.8272 7.9775 117.8034 54.8333 31.2387 175.1892 7 E 4.9703 8.7117 118.9639 54.4958 33.7447 174.8941 8 K 5.0373 8.7317 120.8531 56.5378 34.2703 176.0663 9 R 4.6461 8.9249 121.2973 54.4781 34.7053 173.9075 10 M 5.1093 8.3853 117.8621 53.8364 33.3309 175.5546 11 S 4.4576 9.4498 114.5746 59.6938 66.2783 174.5070 *13 R 4.1074 7.6457 119.9392 55.5942 30.7611 173.9119 14 V 4.6728 8.3133 123.5206 61.9271 33.0769 174.0681 15 Y 5.1995 8.9327 123.5739 55.6504 42.3557 172.8303 16 Y 5.4926 9.5186 120.2658 55.9693 41.9231 174.0178 17 F 5.5810 9.4571 127.6234 56.6176 43.9264 172.6233 18 N 4.0344 8.0982 123.9693 52.0119 39.0551 175.4919 19 H 3.7065 8.4197 127.4255 58.2630 30.3651 176.0965 20 I 4.0279 7.4388 118.6807 62.8456 37.9471 176.4460 21 T 4.1834 7.9858 115.0358 62.1217 69.2663 175.9565 22 N 4.2377 8.0403 116.1631 53.1361 37.9881 174.4583 23 A 4.2282 7.2847 121.7012 52.7587 19.5517 176.7462 24 S 5.5315 8.5852 115.5487 56.8916 66.0436 173.2783 25 Q 4.5993 9.7174 121.3164 54.9291 31.5740 175.8033 26 F 4.6191 9.0226 119.3939 59.5210 39.4671 175.5959 27 E 4.7692 8.0573 118.9878 54.0787 32.0388 175.7379 28 R 3.8117 8.0067 118.7431 54.5275 30.4849 175.6878 29 P 4.4211 0.0000 0.0000 62.4556 32.8502 176.4348 30 S 4.1900 8.5354 112.1348 59.5129 62.5233 174.9086 31 G 3.8069 7.3592 113.3821 46.6241 0.0000 173.6217 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 K 8.31 4.34 0.00 1.80 1.80 0.00 1.76 0.00 0.00 1.74 0.00 0.00 2.91 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.36 1.61 7.81 2 L 8.75 4.17 0.00 1.79 1.70 0.98 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 3 P 0.00 4.37 0.00 2.16 2.04 0.00 3.82 0.00 0.00 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.14 0.00 4 P 0.00 4.87 0.00 2.24 2.18 0.00 3.83 0.00 0.00 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.99 0.00 5 G 9.01 3.70 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 0.00 0.00 0.00 6 W 7.98 4.83 0.00 2.63 1.84 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 0.00 0.00 0.00 0.00 7 E 8.71 4.97 0.00 2.08 1.90 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 2.27 2.28 0.00 8 K 8.73 5.04 0.00 1.81 2.03 0.00 1.45 0.00 0.00 1.74 0.00 0.00 2.90 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.45 1.67 7.81 9 R 8.92 4.65 0.00 0.67 0.99 0.00 2.58 0.00 0.00 2.86 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 1.11 0.00 10 M 8.39 5.11 0.00 2.10 2.07 0.00 0.00 0.00 0.00 0.00 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.49 2.47 0.00 11 S 9.45 4.46 0.00 4.04 4.19 0.00 0.00 0.00 0.00 0.00 0.00 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 R 7.65 4.11 0.00 1.99 2.20 0.00 3.35 0.00 0.00 3.32 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 2.04 0.00 14 V 8.31 4.67 2.16 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 1.06 0.00 0.00 0.98 0.00 0.00 15 Y 8.93 5.20 0.00 2.93 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 Y 9.52 5.49 0.00 2.88 2.81 0.00 0.00 0.00 0.00 0.00 0.00 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 F 9.46 5.58 0.00 3.24 2.83 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 18 N 8.10 4.03 0.00 1.44 1.79 0.00 0.00 5.19 7.06 0.00 0.00 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 H 8.42 3.71 0.00 2.85 3.19 0.00 5.99 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 20 I 7.44 4.03 1.79 0.00 0.00 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.56 0.82 0.00 0.00 21 T 7.99 4.18 3.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.08 0.00 0.00 22 N 8.04 4.24 0.00 3.07 2.97 0.00 0.00 6.79 6.81 0.00 0.00 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 A 7.28 4.23 1.13 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 0.00 0.00 24 S 8.59 5.53 0.00 4.02 4.06 0.00 0.00 0.00 0.00 0.00 0.00 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 Q 9.72 4.60 0.00 2.19 2.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.84 6.93 0.00 0.00 0.00 0.00 0.00 2.70 2.68 0.00 26 F 9.02 4.62 0.00 3.16 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 27 E 8.06 4.77 0.00 1.95 1.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.30 2.23 0.00 28 R 8.01 3.81 0.00 0.97 0.90 0.00 2.49 0.00 0.00 3.01 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 1.31 0.00 29 P 0.00 4.42 0.00 2.21 2.24 0.00 2.88 0.00 0.00 2.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.82 0.00 30 S 8.54 4.19 0.00 3.83 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 31 G 7.36 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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.