NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 S 4.4769 8.3231 117.0992 58.4337 63.6282 173.6443 2 G 3.8600 8.5035 103.6042 47.6500 0.0000 174.4771 3 I 3.7026 8.0543 121.8073 65.2493 36.1424 181.9574 4 V 3.7873 7.8250 119.4551 65.3525 30.9353 177.4819 5 Q 3.8498 7.8476 118.8626 58.8868 28.8335 177.4633 6 Q 4.0586 7.9126 120.3972 58.8220 29.2135 177.3827 7 Q 3.9325 8.3000 119.5760 59.4032 28.7487 178.9864 8 N 4.6553 7.8245 116.9015 56.2632 38.8036 176.6872 9 N 4.3825 7.7106 116.9579 55.8747 38.6221 177.4456 10 L 3.9686 8.6462 121.0110 57.6044 41.7262 178.9875 11 L 3.9215 8.3610 120.6436 58.5216 41.7962 179.3859 12 R 3.8950 8.2091 117.5782 58.7947 29.7910 178.9444 13 A 4.0591 7.6512 120.8213 54.8755 18.8081 179.4857 14 I 3.5936 7.8160 118.4348 64.6535 37.3012 178.1457 15 E 3.8410 8.3662 119.8259 59.2351 29.4755 178.6587 16 A 4.0736 7.6352 120.4378 54.7491 18.6594 179.4290 17 Q 3.9472 8.2883 116.9274 59.1002 28.7237 178.8679 18 Q 3.9372 7.9476 120.3812 59.7571 29.1110 178.3793 19 H 4.3760 7.7256 115.5335 58.6807 28.5982 177.8319 20 L 4.0993 7.8614 120.9058 57.5728 41.3799 179.0024 21 L 3.9558 8.2497 119.4278 57.7809 41.5323 179.1150 22 Q 3.9886 8.1792 117.5865 59.5214 28.8727 179.7126 23 L 4.0326 8.0002 119.4356 57.9427 41.5938 179.6123 24 T 4.0604 7.6417 115.0206 66.0295 68.7950 177.2072 25 V 3.6116 8.3959 120.5129 65.6265 31.3845 177.9445 *26 W 3.9607 8.5457 128.6451 60.2703 30.3132 177.8448 27 G 3.9026 7.9408 105.6692 48.3676 0.0000 175.3228 28 I 3.7861 7.6517 123.2723 64.5124 37.3722 179.1317 29 K 4.0031 8.0399 123.8604 59.0520 31.7391 180.2692 30 Q 4.4641 7.9778 118.0009 59.0580 29.3133 176.9855 31 L 4.0496 7.9782 117.1888 56.1350 43.1688 177.3122 32 Q 4.4120 7.7888 118.3430 55.8126 27.5771 175.2308 33 A 4.4145 7.6437 122.2470 53.3100 22.0065 177.6124 *34 R 4.1483 7.9208 117.7290 56.5575 30.1755 179.0413 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 S 8.32 4.48 0.00 3.65 3.64 0.00 0.00 0.00 0.00 0.00 0.00 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 G 8.50 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 I 8.05 3.70 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 1.52 0.70 0.91 0.00 0.00 4 V 7.83 3.79 2.17 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 0.97 0.00 0.00 0.93 0.00 0.00 5 Q 7.85 3.85 0.00 2.22 2.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.09 6.60 0.00 0.00 0.00 0.00 0.00 2.35 2.40 0.00 6 Q 7.91 4.06 0.00 2.16 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.31 6.57 0.00 0.00 0.00 0.00 0.00 2.42 2.44 0.00 7 Q 8.30 3.93 0.00 2.25 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.13 6.58 0.00 0.00 0.00 0.00 0.00 2.58 2.54 0.00 8 N 7.82 4.66 0.00 2.88 2.94 0.00 0.00 7.27 6.59 0.00 0.00 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 N 7.71 4.38 0.00 2.89 2.84 0.00 0.00 6.86 6.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 10 L 8.65 3.97 0.00 1.79 1.70 0.92 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 11 L 8.36 3.92 0.00 1.77 1.87 0.92 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 12 R 8.21 3.89 0.00 2.14 1.96 0.00 3.17 0.00 0.00 3.40 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.64 0.00 13 A 7.65 4.06 1.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 14 I 7.82 3.59 1.99 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 1.01 0.90 0.00 0.00 15 E 8.37 3.84 0.00 2.18 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 0.00 2.31 2.21 0.00 16 A 7.64 4.07 1.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 Q 8.29 3.95 0.00 2.25 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.14 6.73 0.00 0.00 0.00 0.00 0.00 2.37 2.50 0.00 18 Q 7.95 3.94 0.00 2.30 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.80 0.00 0.00 0.00 0.00 0.00 2.36 2.48 0.00 19 H 7.73 4.38 0.00 3.39 3.31 0.00 5.69 0.00 0.00 0.00 0.00 6.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 20 L 7.86 4.10 0.00 1.91 1.72 0.92 0.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 21 L 8.25 3.96 0.00 1.90 1.69 0.92 1.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 22 Q 8.18 3.99 0.00 2.13 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.48 6.77 0.00 0.00 0.00 0.00 0.00 2.40 2.44 0.00 23 L 8.00 4.03 0.00 1.87 1.73 0.98 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 24 T 7.64 4.06 4.55 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 1.21 0.00 0.00 25 V 8.40 3.61 2.19 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 0.99 0.00 0.00 0.93 0.00 0.00 *26 W 8.55 3.96 0.00 2.72 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 27 G 7.94 3.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 I 7.65 3.79 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 1.38 0.76 0.91 0.00 0.00 29 K 8.04 4.00 0.00 1.86 1.75 0.00 1.80 0.00 0.00 1.63 0.00 0.00 2.91 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.40 1.33 7.81 30 Q 7.98 4.46 0.00 2.12 2.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.10 6.89 0.00 0.00 0.00 0.00 0.00 2.30 2.35 0.00 31 L 7.98 4.05 0.00 1.84 1.66 0.92 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 0.00 0.00 0.00 0.00 0.00 0.00 32 Q 7.79 4.41 0.00 2.10 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.54 0.00 0.00 0.00 0.00 0.00 2.33 2.53 0.00 33 A 7.64 4.41 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 *34 R 7.92 4.15 0.00 1.59 1.76 0.00 3.23 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.