NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.4220 8.3049 118.1944 55.0370 32.5589 174.3548 2 I 4.1683 8.2278 122.5146 59.3938 38.7203 173.8472 3 R 4.5489 9.1821 125.3959 54.9098 32.8052 175.4079 4 T 4.5215 8.2755 117.5611 62.2592 69.7922 174.2291 5 M 4.7771 8.2326 125.4003 52.6606 35.4520 175.2150 6 L 3.9484 8.4962 123.9236 55.7141 42.6572 176.6124 7 Q 4.0953 8.8498 127.5566 58.0471 29.4696 175.4602 8 G 4.0517 7.5489 102.7445 45.4863 0.0000 171.9436 9 K 4.5029 8.3226 117.2398 55.6423 35.0645 175.0760 10 L 4.4342 8.3397 120.2431 53.4565 42.6400 175.7183 11 H 4.4932 8.7585 124.3023 55.2656 30.6380 174.7159 12 R 3.6875 8.1864 127.6713 57.1297 26.5916 176.3983 13 V 4.1205 7.4024 112.8912 60.7837 33.7020 176.8890 14 K 4.4975 8.1255 123.2382 52.5824 33.2770 177.6658 15 V 3.7816 8.3371 123.9620 62.5026 31.7551 175.7123 16 T 4.4053 8.4003 116.7675 62.5226 70.0409 174.0548 17 H 4.6650 7.8219 119.4445 55.0146 32.6623 172.8469 18 A 4.2943 8.0267 130.8931 52.0169 20.2247 176.0637 *19 D 4.8662 8.3734 120.5507 51.7620 43.2067 172.6216 20 L 4.0351 8.8719 124.9389 57.1887 41.7622 177.2134 21 H 4.5511 8.0145 115.3149 55.6380 28.0563 174.0023 22 Y 4.7518 8.3203 124.9687 56.0277 41.5621 174.4226 23 E 4.2980 7.5143 126.4203 54.3752 30.4665 176.1292 24 G 3.5750 7.8169 111.2177 46.0359 0.0000 171.3713 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 M 8.30 4.42 0.00 2.14 2.14 0.00 0.00 0.00 0.00 0.00 -0.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.46 2.57 0.00 2 I 8.23 4.17 1.87 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.24 0.91 0.00 0.00 3 R 9.18 4.55 0.00 1.79 1.84 0.00 3.35 0.00 0.00 3.22 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.57 0.00 4 T 8.28 4.52 4.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 5 M 8.23 4.78 0.00 1.95 1.92 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 2.48 2.42 0.00 6 L 8.50 3.95 0.00 1.58 1.60 0.96 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.00 0.00 0.00 0.00 0.00 0.00 7 Q 8.85 4.10 0.00 2.05 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.71 0.00 0.00 0.00 0.00 0.00 2.32 2.29 0.00 8 G 7.55 4.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 9 K 8.32 4.50 0.00 1.84 1.75 0.00 1.62 0.00 0.00 1.73 0.00 0.00 2.83 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.32 1.48 7.81 10 L 8.34 4.43 0.00 1.64 1.64 0.91 1.02 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 11 H 8.76 4.49 0.00 3.08 3.24 0.00 6.06 0.00 0.00 0.00 0.00 6.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 12 R 8.19 3.69 0.00 1.94 1.92 0.00 3.24 0.00 0.00 3.21 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 1.26 0.00 13 V 7.40 4.12 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.66 0.00 0.00 0.91 0.00 0.00 14 K 8.13 4.50 0.00 1.76 1.58 0.00 1.81 0.00 0.00 1.63 0.00 0.00 2.90 0.00 0.00 2.70 0.00 0.00 0.00 0.00 1.28 0.97 7.81 15 V 8.34 3.78 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.96 0.00 0.00 0.92 0.00 0.00 16 T 8.40 4.41 4.25 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 0.00 0.00 0.00 1.28 0.00 0.00 17 H 7.82 4.67 0.00 3.07 3.13 0.00 5.73 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 18 A 8.03 4.29 1.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 D 8.37 4.87 0.00 2.65 2.40 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 20 L 8.87 4.04 0.00 1.55 1.71 0.89 1.14 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 21 H 8.01 4.55 0.00 3.21 3.30 0.00 5.68 0.00 0.00 0.00 0.00 6.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 22 Y 8.32 4.75 0.00 2.86 2.85 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 23 E 7.51 4.30 0.00 1.75 1.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.19 0.00 24 G 7.82 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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.