NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 R 4.3097 8.1133 120.8600 56.7037 32.3077 177.5442 2 M 3.8806 7.9327 117.0993 57.4688 31.9004 177.1739 3 K 4.2054 8.6800 121.9454 59.0898 32.8648 178.4857 4 Q 3.9777 8.0168 118.0126 58.5283 28.6365 178.2253 5 L 3.9145 8.1106 121.5601 58.1952 41.7862 178.7553 6 E 3.9577 8.3514 118.6677 59.6093 29.4454 179.0444 7 D 4.4371 8.3154 118.9134 57.5151 40.9368 179.1764 8 K 4.0039 8.0718 118.8425 59.4067 31.9516 179.6145 9 V 3.6099 8.0045 118.6342 66.0975 31.4705 178.0285 10 E 3.9951 8.4356 118.4126 59.0021 29.1647 178.8987 11 E 3.8916 8.2745 119.6165 59.1117 29.6768 178.5073 12 L 3.9064 7.9452 120.2622 58.2645 42.1988 178.7336 13 L 3.8700 8.1048 120.2971 58.1087 41.9984 178.8591 14 S 4.2678 8.1525 113.1365 61.3711 62.2752 176.3188 15 K 4.0445 8.3951 121.1920 59.4243 31.7142 179.2328 16 A 3.9694 8.3988 121.4998 55.3604 18.2582 179.3630 17 Y 4.1722 8.1344 115.3585 61.3722 37.8453 178.0095 18 H 4.2640 8.5014 119.3233 59.1798 29.8986 177.2641 19 L 4.0577 8.2932 121.1971 57.8242 41.4737 179.0802 20 E 3.9278 8.4258 119.2970 59.4213 29.6787 178.6602 21 N 4.3533 8.3448 116.4250 56.3948 38.6341 177.2859 22 E 3.9393 8.4126 120.3064 59.4002 29.4461 179.6144 23 V 3.5823 8.1561 118.4010 65.8624 31.5133 177.9781 24 A 3.9809 8.0328 120.6069 55.0718 18.2558 179.7907 25 R 3.8437 7.8813 116.3469 59.4622 30.1302 179.1375 26 L 3.9771 8.0353 120.0675 57.8976 41.9874 178.8144 27 K 3.9200 8.3774 120.0140 59.4118 31.8743 179.0132 28 K 3.9885 7.7080 117.6374 59.3353 32.0386 179.0493 29 L 4.1297 7.6446 118.3134 57.7476 41.6122 179.4949 30 V 3.7755 7.8092 117.4810 64.7440 31.5532 177.2620 31 G 3.8271 8.1584 104.4690 45.5803 0.0000 172.7366 32 E 4.1878 7.8648 122.0256 55.3982 30.9862 177.0108 *33 R 4.1530 8.2852 118.8112 56.4323 30.1652 175.4180 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 4.31 0.00 1.86 1.98 0.00 3.15 0.00 0.00 3.34 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.66 0.00 2 M 7.93 3.88 0.00 2.15 2.10 0.00 0.00 0.00 0.00 0.00 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.69 2.60 0.00 3 K 8.68 4.21 0.00 1.86 1.80 0.00 1.65 0.00 0.00 1.78 0.00 0.00 3.03 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.51 1.45 7.81 4 Q 8.02 3.98 0.00 2.25 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.15 6.69 0.00 0.00 0.00 0.00 0.00 2.45 2.41 0.00 5 L 8.11 3.91 0.00 1.76 1.89 0.92 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 6 E 8.35 3.96 0.00 2.19 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.34 2.49 0.00 7 D 8.32 4.44 0.00 2.82 2.73 0.00 0.00 0.00 0.00 0.00 0.00 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 8.07 4.00 0.00 1.94 1.86 0.00 1.67 0.00 0.00 1.57 0.00 0.00 2.91 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.46 1.60 7.81 9 V 8.00 3.61 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.10 0.00 0.00 0.96 0.00 0.00 10 E 8.44 4.00 0.00 2.04 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 2.56 2.47 0.00 11 E 8.27 3.89 0.00 2.05 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.31 2.33 0.00 12 L 7.95 3.91 0.00 1.80 1.88 0.90 0.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 13 L 8.10 3.87 0.00 1.85 1.69 0.70 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 14 S 8.15 4.27 0.00 4.02 4.04 0.00 0.00 0.00 0.00 0.00 0.00 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 8.40 4.04 0.00 1.99 1.86 0.00 1.73 0.00 0.00 1.66 0.00 0.00 2.96 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.48 1.62 7.81 16 A 8.40 3.97 1.22 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 0.00 0.00 17 Y 8.13 4.17 0.00 3.22 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 18 H 8.50 4.26 0.00 3.29 3.50 0.00 5.79 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 8.29 4.06 0.00 1.88 1.69 0.92 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 20 E 8.43 3.93 0.00 2.12 2.20 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 2.36 2.38 0.00 21 N 8.34 4.35 0.00 2.96 2.86 0.00 0.00 7.07 7.22 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 22 E 8.41 3.94 0.00 2.08 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 2.21 2.21 0.00 23 V 8.16 3.58 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 1.09 0.00 0.00 0.98 0.00 0.00 24 A 8.03 3.98 1.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 7.88 3.84 0.00 2.05 1.99 0.00 3.13 0.00 0.00 3.10 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.87 0.00 26 L 8.04 3.98 0.00 1.83 1.90 0.92 0.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 27 K 8.38 3.92 0.00 2.03 1.95 0.00 1.69 0.00 0.00 1.65 0.00 0.00 2.94 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.44 1.48 7.81 28 K 7.71 3.99 0.00 1.92 1.85 0.00 1.76 0.00 0.00 1.70 0.00 0.00 3.02 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.48 1.62 7.81 29 L 7.64 4.13 0.00 1.82 1.73 0.92 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 30 V 7.81 3.78 2.13 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 0.81 0.00 0.00 0.95 0.00 0.00 31 G 8.16 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 0.00 0.00 0.00 32 E 7.86 4.19 0.00 1.92 1.86 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 2.25 2.35 0.00 *33 R 8.29 4.15 0.00 1.62 1.73 0.00 3.28 0.00 0.00 3.26 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.69 0.00 * Residues marked with a * may have inaccurate shift predictions.