NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 R 4.2823 8.1127 117.2805 55.7141 31.1286 175.7597 2 M 3.6991 8.7132 117.9497 58.8369 31.7907 177.1731 3 K 4.1538 8.8300 119.1469 59.1969 32.6265 178.9179 4 Q 4.0112 8.0969 118.8493 58.6533 28.6327 178.4431 5 L 3.9611 7.8314 119.5417 57.9164 41.7710 179.1180 6 E 3.9762 8.4045 118.6741 59.5997 29.4165 179.2447 7 D 4.3253 7.8353 118.8298 57.1604 40.8493 178.7532 8 K 3.8849 8.1899 120.1396 59.5196 32.2519 178.7609 9 V 3.5440 7.7692 118.4409 66.2708 31.4766 177.7770 10 E 3.9814 8.1352 118.0549 59.5008 29.3000 179.3111 11 E 3.9859 8.2422 118.5858 59.3483 29.3149 179.4149 12 L 3.9965 7.8824 118.2088 57.4373 41.7920 178.7321 13 L 3.8041 8.1446 119.7901 58.2394 42.2782 178.7647 14 S 4.3275 7.9108 112.6907 60.9889 62.2091 176.2778 15 K 4.0091 7.6764 118.9863 57.4359 31.6374 177.8347 *17 Y 4.9785 7.8596 117.5485 57.9697 40.1533 176.9995 18 H 4.2091 8.5152 118.9672 59.3633 29.8419 177.4099 19 L 3.9692 8.2210 120.8729 57.5030 41.4673 179.1836 20 E 3.9705 8.2090 118.1686 59.5071 29.4842 178.8192 21 N 4.2905 8.3292 116.5073 56.3372 38.6869 176.8727 22 E 3.8513 8.0102 120.4777 59.4470 29.7160 179.0362 23 V 3.5679 8.0043 118.0182 65.9753 31.6029 177.7794 24 A 4.0213 8.1400 120.4951 55.0701 18.1029 179.8214 25 R 3.8226 7.9133 116.5261 59.5004 30.2593 179.0299 26 L 3.9395 7.7949 118.5188 57.9242 41.5077 179.9987 27 K 3.9576 8.0607 118.1075 59.2370 31.8149 179.2737 28 K 3.8932 7.5788 117.9375 59.6193 32.2655 178.1157 29 L 4.0919 8.3870 119.4075 57.5455 41.9172 178.3733 30 V 4.4064 7.7858 109.2411 59.8414 32.1055 176.0300 31 G 3.7471 7.5395 114.1478 46.5204 0.0000 172.7786 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 8.11 4.28 0.00 1.97 2.14 0.00 3.13 0.00 0.00 3.47 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.57 0.00 2 M 8.71 3.70 0.00 2.22 2.14 0.00 0.00 0.00 0.00 0.00 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.68 2.75 0.00 3 K 8.83 4.15 0.00 1.84 1.84 0.00 1.72 0.00 0.00 1.82 0.00 0.00 2.99 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.53 1.52 7.81 4 Q 8.10 4.01 0.00 2.22 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.29 6.81 0.00 0.00 0.00 0.00 0.00 2.37 2.39 0.00 5 L 7.83 3.96 0.00 1.84 1.71 0.92 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 6 E 8.40 3.98 0.00 1.99 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.33 2.49 0.00 7 D 7.84 4.33 0.00 2.90 2.71 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 8 K 8.19 3.88 0.00 1.95 1.96 0.00 1.52 0.00 0.00 1.56 0.00 0.00 2.98 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.42 1.48 7.81 9 V 7.77 3.54 2.25 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 0.95 0.00 0.00 0.94 0.00 0.00 10 E 8.14 3.98 0.00 2.25 1.98 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 2.33 2.43 0.00 11 E 8.24 3.99 0.00 2.16 1.98 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 2.32 2.41 0.00 12 L 7.88 4.00 0.00 1.57 1.67 0.90 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 13 L 8.14 3.80 0.00 1.56 1.74 0.32 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.00 0.00 0.00 0.00 0.00 0.00 14 S 7.91 4.33 0.00 4.00 3.91 0.00 0.00 0.00 0.00 0.00 0.00 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 K 7.68 4.01 0.00 1.87 1.87 0.00 1.72 0.00 0.00 1.64 0.00 0.00 2.95 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.44 1.51 7.81 *17 Y 7.86 4.98 0.00 3.26 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 18 H 8.52 4.21 0.00 3.25 3.54 0.00 5.58 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19 L 8.22 3.97 0.00 1.74 1.69 0.93 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 20 E 8.21 3.97 0.00 2.27 2.06 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 2.45 2.48 0.00 21 N 8.33 4.29 0.00 2.84 2.87 0.00 0.00 6.70 7.65 0.00 0.00 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 E 8.01 3.85 0.00 1.96 2.06 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 2.28 2.30 0.00 23 V 8.00 3.57 2.08 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 0.95 0.00 0.00 0.93 0.00 0.00 24 A 8.14 4.02 1.40 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 0.00 0.00 25 R 7.91 3.82 0.00 2.07 1.98 0.00 3.15 0.00 0.00 3.17 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.66 0.00 26 L 7.79 3.94 0.00 1.85 1.73 0.92 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 27 K 8.06 3.96 0.00 1.94 1.85 0.00 1.67 0.00 0.00 1.57 0.00 0.00 2.91 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.46 1.44 7.81 28 K 7.58 3.89 0.00 1.84 2.04 0.00 1.81 0.00 0.00 1.63 0.00 0.00 2.97 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.45 1.45 7.81 29 L 8.39 4.09 0.00 1.61 1.77 0.92 1.22 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 30 V 7.79 4.41 2.08 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 0.83 0.00 0.00 nan 0.00 0.00 31 G 7.54 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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.