NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- -1 S 4.2486 8.1776 116.7878 57.8282 64.3460 172.4981 *103 P 3.9298 0.0000 0.0000 62.5242 31.9098 175.5390 104 Q 4.1508 7.9578 121.3488 54.3248 30.0305 174.4730 105 F 5.1143 8.2096 124.0239 55.8871 41.1352 176.0544 106 S 4.3683 9.2240 122.1803 60.5798 63.1938 174.8540 107 Q 4.6926 8.0594 117.9938 53.3235 31.7509 175.9262 108 Q 3.8656 8.8904 122.5473 59.5893 28.9025 179.3817 109 R 4.1901 7.8556 117.5625 58.5589 29.3029 178.6077 110 E 3.9066 8.2344 119.8787 59.2348 29.4039 178.7609 111 E 2.6447 7.3249 118.8062 58.7191 29.6878 178.3554 112 D 4.3426 7.7943 119.0586 57.3696 40.8785 178.9087 113 I 3.8480 7.6118 120.0748 64.5072 37.1322 177.8175 114 Y 4.0936 8.0958 120.3650 60.9360 38.6651 178.4645 115 R 4.0866 8.6308 119.4469 59.0401 30.1483 178.6096 116 F 4.0943 8.4037 120.5740 61.5315 39.5011 177.3145 117 L 3.9220 8.1336 118.4255 57.3078 41.1567 179.2216 118 K 3.7268 8.0047 119.2544 59.8101 32.2071 178.3407 119 D 4.4725 8.3102 117.9380 56.2763 40.8122 176.8655 120 N 4.5642 7.4362 113.2468 51.8548 39.7543 175.5476 121 G 3.8048 7.6616 108.1032 43.6061 0.0000 171.5329 122 P 5.1999 0.0000 0.0000 62.7880 31.9218 176.4282 123 Q 4.7623 8.5261 120.5435 54.3736 33.7530 174.5076 124 R 4.7345 8.7527 119.9931 56.0799 31.2538 177.6758 125 A 3.9805 9.0921 123.2036 55.3644 18.2874 180.1055 126 L 3.9070 8.0202 117.8114 58.9859 40.3101 179.7331 127 V 3.5661 7.7462 118.6138 65.7036 31.4870 177.7890 128 I 3.1101 7.7314 119.3536 64.1275 36.9285 178.1096 129 A 3.8693 8.0747 121.6229 55.4554 18.2866 179.7827 130 Q 4.2934 8.4645 117.7391 58.5266 28.5373 178.8842 131 A 3.9435 7.9688 121.2526 54.1458 18.1963 178.6166 132 L 4.4744 7.0795 115.6584 54.3453 42.1787 177.4807 133 G 3.9021 8.0028 106.6179 45.6634 0.0000 174.0000 134 M 4.7952 8.0633 121.0704 53.8221 34.4932 175.2583 135 R 4.2795 8.9883 116.1911 58.2341 32.6995 175.6748 136 T 4.7028 7.6639 105.0388 59.1059 72.3880 174.1310 137 A 3.9827 8.7053 124.3131 55.3577 17.1443 179.9900 138 K 4.0544 7.7115 116.1789 59.2484 32.3826 178.4568 139 D 4.5687 7.9725 117.7433 56.3282 41.0361 177.1508 140 V 4.3879 7.2340 107.6099 60.0571 33.8663 177.2936 141 N 4.3733 8.4137 118.4174 56.3301 38.2794 177.3007 142 R 3.9864 7.9894 119.0151 59.2964 30.1190 178.5816 143 D 4.3397 8.0149 118.1311 57.3091 40.7929 178.6771 144 L 3.4479 7.6649 119.2242 57.9715 41.4435 179.3563 145 Y 4.2330 8.2085 116.6811 60.8326 37.6034 178.4945 146 R 3.9408 8.1801 119.8871 59.8331 30.1682 178.5362 147 M 4.1249 8.3912 118.8330 58.2232 31.8995 178.6628 148 K 4.6080 8.8135 121.7776 59.0994 32.2053 179.0561 149 S 4.2144 8.1367 113.5203 60.6664 62.8723 175.6403 150 R 4.3728 7.3147 119.6512 54.9116 30.2916 175.5835 151 H 3.4944 7.4552 114.3057 56.7281 27.0501 175.9738 152 L 4.5895 8.1378 120.4069 56.4449 43.3801 177.1724 153 L 5.6427 7.9851 116.3637 53.1097 46.6147 175.0192 154 D 5.3186 9.3157 119.3315 52.7521 45.0649 173.9136 155 M 4.3740 7.9375 121.5608 53.2522 34.9992 174.2593 156 D 4.4638 8.5352 126.1846 53.5301 41.6111 176.9924 157 E 3.9216 8.8374 126.4535 58.9506 29.9645 178.4328 158 Q 4.1887 8.1706 117.3021 57.9150 29.2145 176.9191 159 S 4.3384 8.1363 110.4547 57.9063 63.7868 175.0478 160 K 3.7683 8.1482 118.7525 56.7908 30.1017 175.1248 161 A 4.4616 7.7350 122.0645 51.5029 19.7054 177.3567 162 W 5.0261 9.4116 122.3387 55.7799 31.6926 175.3631 163 T 5.1095 8.9890 117.0092 60.3456 71.0188 172.8860 164 I 4.1635 8.2063 118.2556 60.9833 38.7112 175.2703 165 Y 4.2934 8.6689 124.3903 57.8835 38.2813 175.1514 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 8.18 4.25 0.00 3.84 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 *103 P 0.00 3.93 0.00 0.78 1.57 0.00 3.27 0.00 0.00 4.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.43 0.00 104 Q 7.96 4.15 0.00 1.85 1.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.50 6.73 0.00 0.00 0.00 0.00 0.00 2.17 2.26 0.00 105 F 8.21 5.11 0.00 3.06 3.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 106 S 9.22 4.37 0.00 4.06 3.94 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 0.00 0.00 0.00 0.00 107 Q 8.06 4.69 0.00 2.04 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.93 6.81 0.00 0.00 0.00 0.00 0.00 2.34 2.24 0.00 108 Q 8.89 3.87 0.00 2.13 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.02 6.89 0.00 0.00 0.00 0.00 0.00 2.39 2.43 0.00 109 R 7.86 4.19 0.00 2.02 2.13 0.00 3.14 0.00 0.00 3.26 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.54 0.00 110 E 8.23 3.91 0.00 2.18 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.36 2.38 0.00 111 E 7.32 2.64 0.00 1.16 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 2.16 1.90 0.00 112 D 7.79 4.34 0.00 2.88 2.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 113 I 7.61 3.85 2.01 0.00 0.00 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.81 0.89 0.00 0.00 114 Y 8.10 4.09 0.00 3.26 2.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 115 R 8.63 4.09 0.00 2.00 2.03 0.00 3.24 0.00 0.00 3.11 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 1.88 0.00 116 F 8.40 4.09 0.00 3.23 3.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 117 L 8.13 3.92 0.00 1.67 1.65 1.04 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 0.00 0.00 0.00 0.00 0.00 0.00 118 K 8.00 3.73 0.00 1.56 1.94 0.00 1.92 0.00 0.00 1.78 0.00 0.00 3.08 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.42 1.44 7.81 119 D 8.31 4.47 0.00 2.65 2.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 120 N 7.44 4.56 0.00 1.87 2.43 0.00 0.00 7.05 7.82 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 0.00 121 G 7.66 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 122 P 0.00 5.20 0.00 1.94 2.04 0.00 3.68 0.00 0.00 4.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.93 0.00 123 Q 8.53 4.76 0.00 2.17 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 7.02 0.00 0.00 0.00 0.00 0.00 2.57 2.50 0.00 124 R 8.75 4.73 0.00 1.86 1.95 0.00 3.17 0.00 0.00 3.39 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 1.71 0.00 125 A 9.09 3.98 1.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 126 L 8.02 3.91 0.00 1.89 1.98 0.94 0.61 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 0.00 127 V 7.75 3.57 2.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.00 0.00 1.00 0.00 0.00 128 I 7.73 3.11 1.91 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.22 0.78 0.00 0.00 129 A 8.07 3.87 1.32 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 0.00 0.00 130 Q 8.46 4.29 0.00 2.10 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.74 0.00 0.00 0.00 0.00 0.00 2.51 2.40 0.00 131 A 7.97 3.94 0.58 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 0.00 132 L 7.08 4.47 0.00 1.40 1.57 0.79 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 133 G 8.00 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 0.00 134 M 8.06 4.80 0.00 2.20 2.07 0.00 0.00 0.00 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.47 2.43 0.00 135 R 8.99 4.28 0.00 1.85 1.90 0.00 3.09 0.00 0.00 3.26 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.49 0.00 136 T 7.66 4.70 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 1.21 0.00 0.00 137 A 8.71 3.98 1.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 138 K 7.71 4.05 0.00 1.88 1.82 0.00 1.64 0.00 0.00 1.65 0.00 0.00 2.92 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.44 1.42 7.81 139 D 7.97 4.57 0.00 2.82 2.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 140 V 7.23 4.39 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 0.76 0.00 0.00 0.84 0.00 0.00 141 N 8.41 4.37 0.00 2.82 3.06 0.00 0.00 6.89 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 142 R 7.99 3.99 0.00 1.86 1.99 0.00 3.13 0.00 0.00 3.34 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.73 0.00 143 D 8.01 4.34 0.00 2.77 2.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 144 L 7.66 3.45 0.00 0.87 0.13 -0.06 0.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.00 0.00 0.00 0.00 0.00 0.00 145 Y 8.21 4.23 0.00 3.04 3.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 146 R 8.18 3.94 0.00 2.04 2.09 0.00 3.11 0.00 0.00 3.19 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.70 0.00 147 M 8.39 4.12 0.00 2.19 2.28 0.00 0.00 0.00 0.00 0.00 2.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.77 2.67 0.00 148 K 8.81 4.61 0.00 2.32 2.18 0.00 1.62 0.00 0.00 1.64 0.00 0.00 2.80 0.00 0.00 3.12 0.00 0.00 0.00 0.00 1.52 1.53 7.81 149 S 8.14 4.21 0.00 4.10 4.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 150 R 7.31 4.37 0.00 1.72 1.93 0.00 3.32 0.00 0.00 3.21 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.71 0.00 151 H 7.46 3.49 0.00 2.94 2.13 0.00 5.64 0.00 0.00 0.00 0.00 7.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 152 L 8.14 4.59 0.00 1.88 1.97 1.01 0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.00 0.00 0.00 0.00 0.00 0.00 153 L 7.99 5.64 0.00 1.89 2.01 0.88 1.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 154 D 9.32 5.32 0.00 2.95 2.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 155 M 7.94 4.37 0.00 1.00 0.57 0.00 0.00 0.00 0.00 0.00 1.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.00 1.79 0.00 156 D 8.54 4.46 0.00 2.73 2.42 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 0.00 157 E 8.84 3.92 0.00 1.95 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.23 2.25 0.00 158 Q 8.17 4.19 0.00 2.16 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.47 6.96 0.00 0.00 0.00 0.00 0.00 2.32 2.31 0.00 159 S 8.14 4.34 0.00 3.97 3.95 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 0.00 0.00 0.00 160 K 8.15 3.77 0.00 1.97 2.04 0.00 1.77 0.00 0.00 1.69 0.00 0.00 3.08 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.37 1.56 7.81 161 A 7.74 4.46 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 0.00 162 W 9.41 5.03 0.00 3.40 3.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 163 T 8.99 5.11 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 1.20 0.00 0.00 164 I 8.21 4.16 1.33 0.00 0.00 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.05 0.61 0.18 0.00 0.00 165 Y 8.67 4.29 0.00 3.01 3.08 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 0.00 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.