NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 4 G 4.0695 8.3393 109.7364 44.6195 0.0000 176.5150 5 P 4.5369 0.0000 0.0000 61.3934 30.2547 176.7123 *7 G 3.8593 8.3457 108.2682 44.1654 0.0000 171.6147 8 P 4.0646 0.0000 0.0000 63.8585 29.4696 178.6572 *10 G 3.8356 8.9919 103.8069 44.0687 0.0000 171.3295 11 P 3.9114 0.0000 0.0000 64.2684 29.5856 178.1987 *13 G 3.7498 8.8823 106.8329 44.0158 0.0000 170.6291 14 P 4.5163 0.0000 0.0000 61.9398 32.1081 176.4263 15 R 4.0202 8.2865 118.6151 55.9478 30.5235 177.0901 16 G 3.9914 8.3321 110.5435 45.0438 0.0000 176.4041 17 Q 4.4402 7.8983 122.3354 55.3046 27.6977 178.6634 *19 G 3.8590 8.4719 105.7315 44.9917 0.0000 175.1522 20 V 4.0377 7.7531 118.7993 60.7903 30.2721 180.2569 *22 G 3.7794 8.6766 117.3940 45.9766 0.0000 175.1534 23 F 4.5583 8.1601 123.8257 57.0557 37.6306 179.4099 *25 G 3.9262 8.7266 120.9044 45.2472 0.0000 171.9189 26 P 4.3927 0.0000 0.0000 63.0069 29.8047 179.5710 *28 G 3.8107 8.9573 100.8629 44.2087 0.0000 170.9312 29 P 3.9142 0.0000 0.0000 64.3589 30.2853 176.6706 *31 G 3.7122 8.9618 107.8027 45.2726 0.0000 172.7840 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 4 G 8.34 4.07 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5 P 0.00 4.54 0.00 2.27 1.45 0.00 3.80 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 2.02 0.00 *7 G 8.35 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 8 P 0.00 4.06 0.00 2.19 1.74 0.00 3.80 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.96 0.00 *10 G 8.99 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 0.00 0.00 0.00 11 P 0.00 3.91 0.00 2.19 1.88 0.00 3.80 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.95 0.00 *13 G 8.88 3.75 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 0.00 0.00 0.00 14 P 0.00 4.52 0.00 2.19 2.06 0.00 3.77 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.98 0.00 15 R 8.29 4.02 0.00 1.82 1.90 0.00 3.21 0.00 0.00 3.23 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.62 0.00 16 G 8.33 3.99 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 0.00 0.00 0.00 0.00 0.00 0.00 17 Q 7.90 4.44 0.00 2.16 1.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.56 0.00 0.00 0.00 0.00 0.00 2.32 2.35 0.00 *19 G 8.47 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 20 V 7.75 4.04 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.67 0.00 0.00 0.81 0.00 0.00 *22 G 8.68 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 0.00 0.00 0.00 23 F 8.16 4.56 0.00 3.07 2.14 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 *25 G 8.73 3.93 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 0.00 0.00 0.00 26 P 0.00 4.39 0.00 2.19 1.52 0.00 3.81 0.00 0.00 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.96 0.00 *28 G 8.96 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 P 0.00 3.91 0.00 2.19 1.92 0.00 3.80 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.96 0.00 *31 G 8.96 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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.