NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 G 4.0288 8.2085 108.0164 46.0801 0.0000 171.4272 2 A 4.8251 7.7211 122.2114 49.5030 22.2669 175.8867 3 Q 4.2766 8.4431 126.8347 54.3695 27.4306 172.7816 4 V 3.5052 7.6196 120.1727 63.1130 32.8629 175.5960 5 S 4.8066 8.5029 124.7543 57.4712 66.1143 172.6304 6 R 4.8275 7.8160 118.3174 56.4278 32.2424 173.2103 7 Q 4.3461 8.2678 123.5072 56.5049 35.1521 173.5510 *23 S 4.8862 7.9776 111.6830 58.1854 63.5551 173.3769 24 L 4.5365 8.3126 129.2537 53.4899 42.7283 173.3506 25 N 5.1388 8.3669 121.4229 51.1350 39.3145 174.0614 26 Y 4.4087 8.2941 126.0324 57.4674 40.4282 174.2693 27 F 4.6736 8.1851 124.0614 55.4614 40.0053 172.7293 28 N 4.2187 7.4755 119.7383 52.6652 39.0386 172.3823 29 I 4.5605 7.8066 125.8888 59.4585 39.0797 174.7981 30 N 4.6041 8.5129 126.2214 52.0083 39.1904 174.0732 31 Y 4.0395 8.3966 125.1529 59.7675 38.3259 176.2598 32 F 5.0060 7.8125 116.2986 55.6316 41.9259 174.5099 33 K 4.5544 8.6694 120.1731 56.7163 32.2957 176.5041 34 D 4.9707 7.9136 118.1771 52.1409 44.0619 176.9898 35 A 4.0278 8.7035 125.6483 55.1292 18.7623 179.6359 36 A 4.0469 8.0134 117.8270 55.3654 18.6378 178.9931 37 S 4.2293 7.7596 111.2585 61.3039 63.0650 175.2797 38 S 4.4334 7.6274 114.3619 57.6182 63.4261 174.7893 39 G 3.8517 8.3192 109.8364 44.7063 0.0000 172.9762 40 A 4.0397 8.4994 121.3814 52.6718 18.6123 177.9704 41 S 4.4638 8.3104 116.7256 58.0166 63.8366 174.3358 42 R 4.3250 8.1433 120.7065 55.7461 30.8135 176.4160 43 L 4.4156 8.1180 119.3986 54.5252 43.2020 176.8830 44 D 4.7883 8.5604 119.0663 54.0369 40.2631 173.7424 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 G 8.21 4.03 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 0.00 0.00 0.00 2 A 7.72 4.83 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 3 Q 8.44 4.28 0.00 2.01 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.59 6.78 0.00 0.00 0.00 0.00 0.00 2.28 2.43 0.00 4 V 7.62 3.51 2.02 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 0.52 0.00 0.00 1.12 0.00 0.00 5 S 8.50 4.81 0.00 3.88 3.78 0.00 0.00 0.00 0.00 0.00 0.00 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 R 7.82 4.83 0.00 1.72 1.70 0.00 3.25 0.00 0.00 3.13 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.72 0.00 7 Q 8.27 4.35 0.00 2.11 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.89 6.35 0.00 0.00 0.00 0.00 0.00 2.16 2.18 0.00 *23 S 7.98 4.89 0.00 3.96 3.82 0.00 0.00 0.00 0.00 0.00 0.00 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 L 8.31 4.54 0.00 1.78 1.51 0.95 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.00 0.00 0.00 0.00 0.00 0.00 25 N 8.37 5.14 0.00 2.59 2.41 0.00 0.00 7.24 7.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 26 Y 8.29 4.41 0.00 2.90 2.72 0.00 0.00 0.00 0.00 0.00 0.00 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 F 8.19 4.67 0.00 2.84 2.75 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 28 N 7.48 4.22 0.00 2.18 2.50 0.00 0.00 7.00 7.86 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 29 I 7.81 4.56 1.30 0.00 0.00 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.07 0.78 0.21 0.00 0.00 30 N 8.51 4.60 0.00 2.59 2.64 0.00 0.00 7.25 7.21 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 31 Y 8.40 4.04 0.00 2.43 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 0.00 0.00 0.00 0.00 32 F 7.81 5.01 0.00 3.07 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 33 K 8.67 4.55 0.00 1.80 1.85 0.00 1.72 0.00 0.00 1.73 0.00 0.00 2.99 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.44 1.50 7.81 34 D 7.91 4.97 0.00 2.69 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 35 A 8.70 4.03 1.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 36 A 8.01 4.05 1.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 37 S 7.76 4.23 0.00 4.24 4.11 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 0.00 0.00 0.00 38 S 7.63 4.43 0.00 3.98 4.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 39 G 8.32 3.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 40 A 8.50 4.04 1.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 41 S 8.31 4.46 0.00 3.89 3.84 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 42 R 8.14 4.33 0.00 1.81 1.86 0.00 3.23 0.00 0.00 3.24 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.68 0.00 43 L 8.12 4.42 0.00 1.62 1.58 0.92 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 44 D 8.56 4.79 0.00 2.93 2.75 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 * Residues marked with a * may have inaccurate shift predictions.