NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 G 3.8614 8.2133 109.7226 44.7624 0.0000 174.5818 3 K 3.2630 8.1351 118.3593 57.9764 31.9257 175.9718 4 G 3.5516 7.6238 105.5063 44.8106 0.0000 172.6201 5 D 4.4173 8.6362 121.5120 53.3476 40.2367 176.4201 6 R 4.0247 8.5996 126.9112 59.3783 30.1463 178.3161 7 R 3.7431 7.6582 114.3392 56.9567 30.3102 177.1551 8 T 4.2515 7.8040 110.6262 60.4215 71.4400 175.8022 9 R 3.9981 8.2732 119.9756 59.6821 30.1413 178.1543 10 R 4.0647 8.0519 118.2144 59.4211 30.1111 178.4556 11 G 3.4072 8.0761 104.6989 47.0807 0.0000 175.1118 12 K 4.2835 7.4052 119.5128 58.6763 32.7992 178.4571 13 I 3.8086 7.8165 120.2746 64.0368 36.8504 177.5846 14 W 4.1501 8.7563 128.5271 61.0977 30.5931 177.8914 15 R 3.9902 7.8474 114.5976 57.0098 29.5752 177.2563 16 G 4.0932 8.3268 112.4297 45.8094 0.0000 174.3230 17 T 3.7574 7.1932 115.0927 62.9843 69.2839 172.1610 18 Y 5.1756 7.7507 119.1435 56.7314 42.6966 177.2682 19 G 4.0391 8.5579 116.1433 46.4843 0.0000 175.0695 20 K 4.0287 8.5630 125.9642 58.7516 32.2400 177.9549 21 Y 4.1227 7.4315 114.5706 60.3922 38.0643 176.8144 22 R 4.4342 7.9991 120.2134 54.8798 31.6729 171.6298 23 P 5.0721 0.0000 0.0000 61.0150 33.4103 176.9675 24 R 3.5234 7.8090 119.7957 56.6963 27.5862 177.0323 25 K 3.3905 7.7420 123.3315 56.7696 31.9353 176.2382 *26 K 4.1215 8.3607 118.5192 55.2243 32.3269 172.1225 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 G 8.21 3.86 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 0.00 0.00 0.00 0.00 0.00 0.00 3 K 8.14 3.26 0.00 1.37 0.98 0.00 1.64 0.00 0.00 1.88 0.00 0.00 3.03 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.50 1.43 7.81 4 G 7.62 3.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 D 8.64 4.42 0.00 2.55 2.52 0.00 0.00 0.00 0.00 0.00 0.00 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 8.60 4.02 0.00 1.84 2.05 0.00 3.27 0.00 0.00 3.25 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 1.67 0.00 7 R 7.66 3.74 0.00 1.50 0.91 0.00 2.93 0.00 0.00 3.10 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.42 0.00 8 T 7.80 4.25 4.22 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 1.20 0.00 0.00 9 R 8.27 4.00 0.00 2.00 2.00 0.00 3.47 0.00 0.00 3.34 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.81 0.00 10 R 8.05 4.06 0.00 1.94 1.93 0.00 3.25 0.00 0.00 3.38 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 1.75 0.00 11 G 8.08 3.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 K 7.41 4.28 0.00 2.09 2.00 0.00 1.77 0.00 0.00 2.05 0.00 0.00 3.25 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.54 1.84 7.81 13 I 7.82 3.81 2.02 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.58 0.95 0.00 0.00 14 W 8.76 4.15 0.00 3.36 3.35 0.00 0.00 0.00 0.00 0.00 0.00 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 R 7.85 3.99 0.00 1.92 2.04 0.00 3.43 0.00 0.00 3.36 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.17 2.03 0.00 16 G 8.33 4.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 T 7.19 3.76 4.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 18 Y 7.75 5.18 0.00 2.91 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 19 G 8.56 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 0.00 0.00 0.00 20 K 8.56 4.03 0.00 1.61 1.33 0.00 1.52 0.00 0.00 1.26 0.00 0.00 2.78 0.00 0.00 2.87 0.00 0.00 0.00 0.00 0.99 1.23 7.81 21 Y 7.43 4.12 0.00 3.12 3.19 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 22 R 8.00 4.43 0.00 1.96 1.96 0.00 3.16 0.00 0.00 3.43 7.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 1.72 0.00 23 P 0.00 5.07 0.00 2.14 1.98 0.00 3.86 0.00 0.00 3.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 1.94 0.00 24 R 7.81 3.52 0.00 1.53 1.45 0.00 3.18 0.00 0.00 2.89 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 1.27 0.00 25 K 7.74 3.39 0.00 1.79 1.77 0.00 1.75 0.00 0.00 1.72 0.00 0.00 3.00 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.33 1.37 7.81 *26 K 8.36 4.12 0.00 1.52 1.62 0.00 1.61 0.00 0.00 1.74 0.00 0.00 3.15 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.26 1.50 7.81 * Residues marked with a * may have inaccurate shift predictions.