NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- -1 M 4.3736 8.1633 118.2040 55.2790 33.2967 176.8816 *107 D 4.7185 7.9182 116.6977 53.4091 42.8961 175.2843 108 W 4.2989 8.1517 129.7110 56.7596 31.1566 175.2344 109 K 3.9241 7.8798 126.0031 55.3763 32.1769 177.0031 110 Q 3.2049 7.8523 121.9560 54.1327 29.7542 173.6932 111 P 4.6346 0.0000 0.0000 62.8989 31.7961 175.9562 112 E 4.7241 8.7943 120.5314 54.6268 33.4460 173.8760 113 L 4.9535 8.4272 122.9744 54.1280 43.9076 175.3805 114 E 4.7733 9.4976 124.5786 54.6774 33.0815 174.9060 115 S 5.3178 8.7133 119.7657 56.9169 66.6159 172.9362 116 D 4.6628 8.9458 121.9618 51.8834 42.4598 175.7262 117 E 3.9581 8.7441 118.1294 59.9330 29.3252 177.9196 118 H 4.7427 7.9705 114.2522 56.0493 29.1033 173.9348 119 G 3.8846 7.4900 106.3933 43.8190 0.0000 173.2861 120 K 5.1924 8.3975 117.4249 55.0401 36.1655 176.2003 121 T 4.6109 9.0211 118.7551 61.9581 72.9016 172.5300 122 L 4.8853 8.6639 128.4452 53.6408 43.7530 175.3521 123 R 4.7339 8.9328 126.1891 54.5562 32.5356 175.3546 124 L 5.1322 8.5368 122.4223 53.3532 44.7850 175.9788 125 T 4.4886 8.3970 120.3569 61.3365 70.2056 174.7023 126 L 2.5771 8.0617 125.6442 53.6198 42.1799 175.5271 127 P 3.9009 0.0000 0.0000 62.7323 31.8266 176.0628 128 E 4.1685 8.0408 120.0333 56.8445 30.3070 176.5534 129 G 3.8931 8.5049 107.0788 46.5921 0.0000 173.9559 130 L 4.3167 7.6612 118.4133 53.5358 42.8661 177.5052 131 S 4.6063 8.3222 116.7940 57.2910 65.6670 175.4621 132 G 3.7459 8.5821 108.2754 48.2862 0.0000 175.2905 133 E 4.0087 8.1856 121.7853 58.9999 29.6509 178.7907 134 Q 4.1105 7.9913 117.5952 58.7016 28.7054 178.8138 135 K 4.1372 8.2097 119.8224 59.4832 32.0169 179.4412 136 S 4.2237 8.0847 115.1871 61.9235 62.7688 176.9252 137 Q 4.0297 8.2604 120.6201 58.4972 28.4208 178.4648 138 W 4.1595 8.5061 129.5151 60.9270 30.7752 178.0053 139 M 3.5175 8.4768 118.6138 58.0233 31.3777 178.5124 140 L 3.8946 8.2536 120.8973 58.3806 42.2610 179.0616 141 T 3.8253 8.1993 116.0732 66.7579 68.3829 176.6147 142 I 3.5183 7.2240 121.5395 64.1220 36.9993 178.4011 143 K 3.8479 8.0151 120.2828 59.2943 31.9673 178.5656 144 A 3.9513 8.4109 121.4777 55.2502 18.0793 179.7612 145 V 3.6372 7.5481 115.4193 66.3764 31.6613 178.4442 146 V 3.8123 7.8897 112.0394 64.1103 31.4639 178.3798 147 Q 3.9654 8.5619 120.4246 58.9537 28.8079 178.2151 148 S 3.9865 8.3968 115.2445 61.1501 62.7056 176.1076 149 A 4.2787 7.5529 123.3960 54.5221 18.0358 178.3425 150 K 4.3978 7.5486 115.9654 57.0694 32.2794 176.0788 151 H 4.7611 8.9370 112.2706 56.2036 31.2617 176.3599 152 W 4.6147 8.4170 123.0006 55.9263 30.9928 175.3351 153 N 4.8059 8.4713 116.6545 51.8052 39.0220 175.2183 154 L 3.4926 8.2139 126.6939 57.0844 42.0890 179.5991 155 A 3.9318 8.3033 121.6358 54.7059 18.3223 177.9212 156 E 4.3582 7.9565 113.1644 56.5722 29.5390 175.5726 157 C 4.6211 7.2889 117.9233 58.7476 30.6459 172.7879 158 T 4.6661 8.6547 115.9642 61.9350 71.3319 173.2722 159 F 5.1309 8.8519 127.8282 56.5810 41.4449 174.3700 160 E 4.5043 8.2667 125.7559 54.6858 33.1602 174.3899 161 A 4.7232 8.8276 129.6191 51.9555 22.1136 175.2657 162 S 5.1007 7.8728 113.1455 58.5004 64.3055 177.9181 163 G 3.8272 8.3610 112.4895 45.7260 0.0000 174.1502 164 E 4.5734 9.7024 118.2179 54.5900 31.6095 176.8382 165 G 3.7956 6.1072 105.3303 45.3973 0.0000 171.5171 166 V 4.5663 7.7249 119.1007 61.1861 35.1527 176.3219 167 I 4.7264 8.6008 125.0310 59.6064 41.4670 174.2294 168 I 5.0207 8.5629 126.3448 59.4027 39.9877 174.8108 169 K 4.7345 9.0828 127.5309 54.5814 35.8494 174.8504 170 K 4.8357 8.9869 128.1308 54.3794 32.7964 174.6159 171 R 4.1689 8.3479 122.2118 55.1778 30.6158 176.3029 172 Q 4.3699 8.4999 123.0008 54.2020 29.7112 175.2353 173 I 3.7965 8.3956 119.7169 61.3709 37.9889 175.1107 174 T 4.6682 8.0320 112.3082 58.4555 71.7640 171.6297 175 P 4.1822 0.0000 0.0000 63.4171 31.5163 175.4629 176 D 4.7015 8.2491 120.7443 53.0748 44.4035 175.1386 177 V 3.9253 8.2164 114.7317 61.5716 31.7361 176.3280 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 8.16 4.37 0.00 2.24 2.42 0.00 0.00 0.00 0.00 0.00 -0.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.57 2.59 0.00 *107 D 7.92 4.72 0.00 2.73 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 0.00 108 W 8.15 4.30 0.00 3.43 3.10 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 0.00 0.00 0.00 0.00 109 K 7.88 3.92 0.00 1.40 1.41 0.00 1.66 0.00 0.00 1.66 0.00 0.00 2.96 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.28 1.27 7.81 110 Q 7.85 3.20 0.00 2.08 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.51 6.91 0.00 0.00 0.00 0.00 0.00 2.17 2.26 0.00 111 P 0.00 4.63 0.00 1.95 2.05 0.00 3.61 0.00 0.00 3.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.17 0.00 112 E 8.79 4.72 0.00 1.96 1.90 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 2.10 2.19 0.00 113 L 8.43 4.95 0.00 1.65 1.57 0.91 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 114 E 9.50 4.77 0.00 1.85 1.76 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 2.18 2.23 0.00 115 S 8.71 5.32 0.00 3.68 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 0.00 116 D 8.95 4.66 0.00 2.72 2.69 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 0.00 0.00 0.00 117 E 8.74 3.96 0.00 1.99 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 2.32 2.32 0.00 118 H 7.97 4.74 0.00 3.24 3.29 0.00 5.65 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 0.00 119 G 7.49 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 0.00 120 K 8.40 5.19 0.00 1.59 1.67 0.00 1.69 0.00 0.00 1.70 0.00 0.00 2.91 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.32 1.42 7.81 121 T 9.02 4.61 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 0.00 122 L 8.66 4.89 0.00 1.63 1.56 0.92 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 123 R 8.93 4.73 0.00 1.74 1.80 0.00 3.44 0.00 0.00 3.13 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.57 0.00 124 L 8.54 5.13 0.00 1.80 1.97 0.97 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 125 T 8.40 4.49 3.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.08 0.00 0.00 126 L 8.06 2.58 0.00 1.41 1.26 0.92 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.00 0.00 0.00 0.00 0.00 0.00 127 P 0.00 3.90 0.00 1.75 1.67 0.00 2.57 0.00 0.00 2.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.84 0.00 128 E 8.04 4.17 0.00 1.87 1.85 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 2.45 2.11 0.00 129 G 8.50 3.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 L 7.66 4.32 0.00 1.60 1.59 0.82 0.90 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 0.00 131 S 8.32 4.61 0.00 4.05 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 0.00 132 G 8.58 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 0.00 133 E 8.19 4.01 0.00 2.11 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 0.00 2.40 2.49 0.00 134 Q 7.99 4.11 0.00 2.42 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.59 0.00 0.00 0.00 0.00 0.00 2.41 2.42 0.00 135 K 8.21 4.14 0.00 2.05 1.96 0.00 1.70 0.00 0.00 1.67 0.00 0.00 2.92 0.00 0.00 3.12 0.00 0.00 0.00 0.00 1.45 1.76 7.81 136 S 8.08 4.22 0.00 4.05 3.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 137 Q 8.26 4.03 0.00 2.33 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.80 0.00 0.00 0.00 0.00 0.00 2.41 2.52 0.00 138 W 8.51 4.16 0.00 3.44 3.48 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 0.00 139 M 8.48 3.52 0.00 2.11 2.29 0.00 0.00 0.00 0.00 0.00 2.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 3.05 2.63 0.00 140 L 8.25 3.89 0.00 1.78 1.82 0.92 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 141 T 8.20 3.83 4.26 0.00 0.00 0.00 0.00 0.00 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 0.00 142 I 7.22 3.52 1.50 0.00 0.00 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.63 -0.36 0.71 0.00 0.00 143 K 8.02 3.85 0.00 1.85 1.86 0.00 1.61 0.00 0.00 1.62 0.00 0.00 2.93 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.40 1.42 7.81 144 A 8.41 3.95 1.36 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 0.00 0.00 0.00 0.00 0.00 0.00 145 V 7.55 3.64 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.95 0.00 0.00 1.04 0.00 0.00 146 V 7.89 3.81 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 0.76 0.00 0.00 0.94 0.00 0.00 147 Q 8.56 3.97 0.00 2.27 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.79 0.00 0.00 0.00 0.00 0.00 2.30 2.33 0.00 148 S 8.40 3.99 0.00 4.05 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 0.00 149 A 7.55 4.28 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 0.00 150 K 7.55 4.40 0.00 1.79 1.84 0.00 1.76 0.00 0.00 1.70 0.00 0.00 3.07 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.49 1.50 7.81 151 H 8.94 4.76 0.00 3.07 2.93 0.00 5.70 0.00 0.00 0.00 0.00 6.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 152 W 8.42 4.61 0.00 3.48 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 0.00 153 N 8.47 4.81 0.00 2.74 2.69 0.00 0.00 6.93 6.66 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 0.00 154 L 8.21 3.49 0.00 1.63 1.54 1.02 0.60 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 0.00 155 A 8.30 3.93 1.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 156 E 7.96 4.36 0.00 2.04 1.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.25 2.23 0.00 157 C 7.29 4.62 0.00 2.57 2.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 158 T 8.65 4.67 4.39 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 1.20 0.00 0.00 159 F 8.85 5.13 0.00 3.02 2.93 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 0.00 160 E 8.27 4.50 0.00 1.92 1.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.17 0.00 161 A 8.83 4.72 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 0.00 162 S 7.87 5.10 0.00 3.94 3.74 0.00 0.00 0.00 0.00 0.00 0.00 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 G 8.36 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 164 E 9.70 4.57 0.00 2.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.17 2.24 0.00 165 G 6.11 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 0.00 166 V 7.72 4.57 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.80 0.00 0.00 1.00 0.00 0.00 167 I 8.60 4.73 1.76 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.49 0.90 0.00 0.00 168 I 8.56 5.02 2.10 0.00 0.00 1.03 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 0.69 0.77 0.00 0.00 169 K 9.08 4.73 0.00 1.83 1.60 0.00 1.60 0.00 0.00 1.59 0.00 0.00 2.83 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.44 1.44 7.81 170 K 8.99 4.84 0.00 1.68 2.03 0.00 1.81 0.00 0.00 1.72 0.00 0.00 2.97 0.00 0.00 2.78 0.00 0.00 0.00 0.00 1.47 1.55 7.81 171 R 8.35 4.17 0.00 1.96 1.94 0.00 3.13 0.00 0.00 3.16 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.68 0.00 172 Q 8.50 4.37 0.00 2.04 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.94 0.00 0.00 0.00 0.00 0.00 2.30 2.41 0.00 173 I 8.40 3.80 1.88 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.98 0.92 0.00 0.00 174 T 8.03 4.67 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 1.26 0.00 0.00 175 P 0.00 4.18 0.00 2.06 2.08 0.00 3.68 0.00 0.00 3.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.10 0.00 176 D 8.25 4.70 0.00 2.66 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 0.00 177 V 8.22 3.93 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 0.73 0.00 0.00 0.93 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.