NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 V 4.0319 7.9133 120.3922 62.1925 32.7763 175.0137 2 I 3.5256 7.6087 119.9681 60.5760 37.9258 174.7628 3 A 4.1852 9.0802 126.4085 52.3076 20.0546 177.2640 4 M 4.3106 8.3034 118.8411 54.5082 32.9058 176.3117 5 P 4.2523 0.0000 0.0000 66.3994 31.2159 178.7426 6 S 4.0773 8.1775 113.4797 61.2875 62.7594 176.4332 7 V 3.8991 7.6883 119.9995 65.3672 31.5271 177.9904 8 R 3.9162 7.8997 117.9703 59.4291 29.9168 178.2051 9 K 3.8826 8.4011 118.6318 59.7093 32.1564 178.4896 10 Y 3.9742 8.0752 118.7923 60.7154 38.7484 177.5574 11 A 3.9041 7.8522 121.7298 55.4933 18.1496 179.9113 12 R 3.7601 7.6167 114.9776 59.4646 30.2238 178.4616 13 E 3.9699 7.9817 117.5524 59.8942 29.6188 179.5789 14 K 4.1774 7.3775 117.5086 57.3336 34.0417 176.6293 15 G 3.7584 9.1263 108.3579 45.7115 0.0000 171.4325 16 V 4.1503 7.0993 120.9896 61.3709 34.8103 173.8192 17 D 4.3204 8.3792 126.6497 53.6504 40.9648 175.8691 18 I 3.4733 8.4287 128.2425 64.1871 38.1401 177.4409 19 R 3.8816 7.9214 119.0726 59.5448 29.8521 177.3595 20 L 4.1208 7.5818 115.9899 57.5217 41.8296 178.5339 21 V 3.8606 6.9917 116.6942 63.8113 32.2009 176.0315 22 Q 4.6497 8.3408 125.3126 54.6913 30.5217 173.7007 23 G 3.5704 9.3498 113.1765 47.3785 0.0000 173.4995 24 T 4.0803 9.5085 109.7129 63.9020 70.1762 176.5794 25 G 3.9966 7.5432 109.5384 44.1960 0.0000 173.9251 26 K 4.4569 8.5856 129.0835 56.3800 33.0550 175.7231 27 N 4.6987 7.6238 119.3756 52.8054 38.9487 175.4040 28 G 3.9284 8.8447 105.4366 47.3287 0.0000 173.5073 29 R 4.5628 7.8069 118.6811 55.8434 30.6903 176.3417 30 V 4.0318 7.7414 117.8840 62.2285 32.5268 175.4665 31 L 4.5351 8.2568 126.9267 53.1292 43.1969 177.5585 32 K 3.9038 8.3126 119.6843 59.5023 31.9194 177.8643 33 E 4.1673 7.9646 116.8818 57.3549 29.4226 178.1469 34 D 4.2953 7.4954 118.1602 57.6380 41.7207 177.8518 35 I 4.0419 7.6945 119.7940 64.0692 37.1244 177.4229 36 D 4.5865 8.1030 119.7208 56.8818 40.9563 178.5755 37 A 4.0559 8.0370 120.8662 55.0432 18.1230 178.5885 38 F 3.8560 8.0538 117.9844 62.4158 39.6149 177.0543 39 L 4.0239 8.2357 118.3649 57.9112 42.0386 178.5571 40 A 4.0704 7.6316 120.1031 55.5663 18.3167 179.2094 41 G 3.8829 7.7348 102.6254 45.7425 0.0000 174.9128 42 G 3.4927 8.6900 111.3811 45.5444 0.0000 173.2222 *43 A 4.0224 8.4988 124.7215 52.0479 18.8835 177.4982 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 V 7.91 4.03 2.08 0.00 0.00 0.00 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 2 I 7.61 3.53 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 1.34 0.27 0.90 0.00 0.00 3 A 9.08 4.19 1.24 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 0.00 0.00 0.00 4 M 8.30 4.31 0.00 2.09 1.99 0.00 0.00 0.00 0.00 0.00 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.68 2.52 0.00 5 P 0.00 4.25 0.00 2.26 2.31 0.00 3.73 0.00 0.00 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.06 0.00 6 S 8.18 4.08 0.00 3.86 4.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7 V 7.69 3.90 2.24 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 0.96 0.00 0.00 0.91 0.00 0.00 8 R 7.90 3.92 0.00 1.92 1.92 0.00 3.24 0.00 0.00 3.32 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.71 0.00 9 K 8.40 3.88 0.00 1.86 1.89 0.00 1.73 0.00 0.00 1.65 0.00 0.00 2.91 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.47 1.52 7.81 10 Y 8.08 3.97 0.00 3.09 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 11 A 7.85 3.90 1.40 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 0.00 0.00 12 R 7.62 3.76 0.00 1.97 1.96 0.00 3.18 0.00 0.00 3.21 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.76 0.00 13 E 7.98 3.97 0.00 1.89 1.93 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 2.45 2.49 0.00 14 K 7.38 4.18 0.00 1.78 1.72 0.00 1.52 0.00 0.00 1.70 0.00 0.00 3.09 0.00 0.00 2.96 0.00 0.00 0.00 0.00 0.78 1.31 7.81 15 G 9.13 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 16 V 7.10 4.15 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 1.10 0.00 0.00 17 D 8.38 4.32 0.00 2.65 2.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 18 I 8.43 3.47 1.81 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 1.26 1.15 0.87 0.00 0.00 19 R 7.92 3.88 0.00 1.78 2.03 0.00 3.32 0.00 0.00 3.22 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.62 0.00 20 L 7.58 4.12 0.00 1.76 1.91 1.01 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 0.00 0.00 0.00 0.00 0.00 0.00 21 V 6.99 3.86 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 0.94 0.00 0.00 0.55 0.00 0.00 22 Q 8.34 4.65 0.00 2.04 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.49 6.94 0.00 0.00 0.00 0.00 0.00 2.26 2.37 0.00 23 G 9.35 3.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 T 9.51 4.08 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 25 G 7.54 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 K 8.59 4.46 0.00 1.88 2.07 0.00 1.55 0.00 0.00 1.77 0.00 0.00 2.85 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.41 1.43 7.81 27 N 7.62 4.70 0.00 2.82 2.86 0.00 0.00 5.97 6.93 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 28 G 8.84 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 29 R 7.81 4.56 0.00 2.01 1.94 0.00 3.32 0.00 0.00 3.15 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.68 0.00 30 V 7.74 4.03 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.88 0.00 0.00 1.07 0.00 0.00 31 L 8.26 4.54 0.00 1.76 1.55 0.93 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 32 K 8.31 3.90 0.00 1.73 1.70 0.00 1.60 0.00 0.00 1.71 0.00 0.00 2.76 0.00 0.00 2.75 0.00 0.00 0.00 0.00 1.26 1.22 7.81 33 E 7.96 4.17 0.00 2.03 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.35 2.32 0.00 34 D 7.50 4.30 0.00 2.78 2.73 0.00 0.00 0.00 0.00 0.00 0.00 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 I 7.69 4.04 2.08 0.00 0.00 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.41 1.04 0.00 0.00 36 D 8.10 4.59 0.00 2.83 2.82 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 37 A 8.04 4.06 1.40 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 0.00 0.00 38 F 8.05 3.86 0.00 3.04 3.32 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 39 L 8.24 4.02 0.00 2.02 1.76 1.02 0.94 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 40 A 7.63 4.07 1.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 G 7.73 3.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 G 8.69 3.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *43 A 8.50 4.02 1.21 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 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.