NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- -1 M 4.3374 8.1633 118.2024 55.4631 31.3112 175.1214 *107 D 5.0209 8.2314 123.1049 53.9105 42.8055 175.7988 108 W 4.1196 8.1384 129.6439 56.9048 31.0574 175.6636 109 K 3.6487 7.9760 126.5421 56.1643 30.5735 176.2442 110 Q 3.1625 7.6133 124.0207 54.1961 29.4829 174.1815 111 P 4.5169 0.0000 0.0000 63.5266 32.2322 175.8814 112 E 4.5926 8.9229 121.5908 54.5777 33.2151 174.2355 113 L 5.0328 8.5966 126.7443 53.8344 43.7146 175.1212 114 E 5.0180 9.6722 124.8967 55.0377 34.6832 174.4205 115 S 5.0107 8.4183 114.3351 57.5000 65.9110 172.9314 116 D 5.0129 8.8081 122.3911 51.8754 43.8968 176.2174 117 E 3.9213 8.6282 119.2953 58.9967 29.8498 177.5279 118 H 4.8669 8.0537 112.9969 51.3690 28.5141 171.4375 119 G 3.8412 7.8235 109.5102 44.2977 0.0000 171.0961 120 K 4.8346 8.3364 125.5168 56.0835 33.8246 175.7865 121 T 4.7578 9.0074 120.8343 62.0792 73.5654 172.5567 122 L 4.9862 8.5258 126.5196 53.3866 44.7561 175.2137 123 R 4.6027 9.1482 127.9953 54.7048 31.9951 174.4387 124 L 5.1190 8.6858 126.4093 53.4709 43.5499 176.0499 125 T 4.6033 8.4252 120.1633 61.2973 70.4725 174.6497 126 L 2.7585 8.1249 124.9849 53.8582 42.1310 175.4425 127 P 4.1619 0.0000 0.0000 62.0494 31.9981 175.6969 128 E 4.1672 8.1077 117.7230 56.7803 31.0789 176.7044 129 G 3.9796 8.5186 108.6791 46.6739 0.0000 172.2838 130 L 4.8053 7.1553 116.9141 53.0099 44.0980 178.0386 131 S 4.4292 8.4163 115.2889 58.2253 65.0575 175.4131 132 G 3.7301 8.6950 109.4611 47.9791 0.0000 175.6654 133 E 3.9728 8.0991 119.2450 59.6025 29.7608 178.9045 134 Q 4.0565 7.9900 119.6964 58.5323 28.7730 179.5969 135 K 4.1317 8.4484 119.4699 59.1855 32.0481 179.4250 136 S 4.1296 7.9493 113.1215 61.6490 62.4434 176.1200 137 Q 4.0919 8.4996 121.1373 58.7088 28.3677 178.9232 138 W 4.0725 8.5443 129.3243 60.8528 30.8395 177.8040 139 M 3.5509 8.8571 118.5008 58.4671 31.5187 178.1397 140 L 3.9861 8.4502 119.6395 57.6382 41.6420 179.4280 141 T 3.8134 8.2525 116.2705 66.6991 68.4108 176.6949 142 I 3.5314 7.5026 121.7328 64.1319 36.9707 178.4156 143 K 3.8651 8.1152 120.3872 59.4552 32.1133 178.7034 144 A 3.9763 8.2740 121.3257 54.8794 17.9828 179.9359 145 V 3.6243 7.2819 116.0018 66.3311 32.0332 178.4238 146 V 3.8098 7.7115 112.1440 64.6075 31.3994 178.6125 147 Q 4.0957 8.5382 118.3999 58.8873 28.4924 178.9763 148 S 4.2057 8.0910 114.6526 61.3173 61.7076 176.3650 149 A 4.7278 7.9994 125.2544 54.4722 17.7744 179.6983 150 K 4.2482 8.1429 116.5641 59.2653 32.1672 178.2936 151 H 4.7552 8.1240 114.6364 55.2032 29.8055 174.7716 152 W 5.0874 7.3020 116.9049 55.1238 31.1730 173.4472 153 N 4.7571 8.7047 118.6444 52.5227 38.1961 175.8368 154 L 3.6564 8.3469 126.7030 57.0642 42.0188 179.4719 155 A 4.0053 8.4483 121.3867 54.3502 18.4754 177.8918 156 E 4.4413 8.2464 114.3111 56.3503 29.9035 174.9711 157 C 4.9954 7.3750 117.1236 58.4305 30.3618 173.6513 158 T 4.5114 8.9368 112.4367 60.7685 70.9604 173.1096 159 F 5.2377 8.6593 123.8606 56.5221 42.3292 174.1412 160 E 4.7476 8.4839 124.0938 54.5306 33.3492 174.6641 161 A 4.2305 8.8900 127.0325 51.9609 19.4678 176.6037 162 S 4.7222 9.4099 117.4601 56.0988 64.4854 173.0919 163 G 3.7250 8.2254 107.7590 48.2038 0.0000 174.1577 164 E 4.6768 7.2893 120.3683 54.1863 30.2686 175.2540 165 G 3.9645 7.0681 106.1472 45.3482 0.0000 172.1051 166 V 4.4045 8.2254 118.3671 60.6936 34.6215 174.5615 167 I 4.5960 8.3511 120.0182 59.0625 40.3907 174.2143 168 I 5.0975 8.3798 125.6331 59.4959 40.0895 174.6701 169 K 4.7755 8.6027 124.0770 55.2935 36.5082 175.2847 170 K 4.3476 8.6349 120.5306 56.3951 32.5853 177.2872 171 R 4.3021 8.4955 121.0871 55.2638 30.6030 176.3936 172 Q 4.0971 8.6016 122.0151 55.9618 29.7573 176.2099 173 I 3.8515 8.2290 124.4606 61.8239 37.7166 175.7191 174 T 4.7668 8.1746 120.8447 61.1282 71.3283 172.5032 175 P 4.3302 0.0000 0.0000 62.8322 31.9731 175.2931 176 D 4.2556 7.9658 117.2027 54.7623 38.6300 173.3490 177 V 4.0404 7.8009 114.8776 60.9410 32.3183 175.7314 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 4.34 0.00 2.24 2.44 0.00 0.00 0.00 0.00 0.00 -0.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.62 2.57 0.00 *107 D 8.23 5.02 0.00 2.76 2.80 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 0.00 108 W 8.14 4.12 0.00 3.33 3.13 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 0.00 0.00 0.00 109 K 7.98 3.65 0.00 1.49 1.32 0.00 1.69 0.00 0.00 1.65 0.00 0.00 2.94 0.00 0.00 2.77 0.00 0.00 0.00 0.00 1.17 1.25 7.81 110 Q 7.61 3.16 0.00 2.12 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.85 6.63 0.00 0.00 0.00 0.00 0.00 2.17 2.27 0.00 111 P 0.00 4.52 0.00 1.96 2.09 0.00 3.63 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 2.16 2.28 0.00 112 E 8.92 4.59 0.00 1.84 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 2.13 2.31 0.00 113 L 8.60 5.03 0.00 1.62 1.54 0.92 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 114 E 9.67 5.02 0.00 1.86 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 2.20 2.22 0.00 115 S 8.42 5.01 0.00 3.82 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 0.00 116 D 8.81 5.01 0.00 2.79 2.67 0.00 0.00 0.00 0.00 0.00 0.00 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 8.63 3.92 0.00 1.87 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 0.00 2.28 2.27 0.00 118 H 8.05 4.87 0.00 3.23 3.25 0.00 5.56 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 7.82 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 0.00 120 K 8.34 4.83 0.00 1.78 1.71 0.00 1.77 0.00 0.00 1.70 0.00 0.00 2.96 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.38 1.56 7.81 121 T 9.01 4.76 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 1.22 0.00 0.00 122 L 8.53 4.99 0.00 1.61 1.53 0.93 0.95 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 0.00 123 R 9.15 4.60 0.00 1.88 1.75 0.00 3.08 0.00 0.00 3.15 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.60 0.00 124 L 8.69 5.12 0.00 1.84 1.99 0.93 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 125 T 8.43 4.60 4.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.10 0.00 0.00 126 L 8.12 2.76 0.00 1.41 1.33 0.85 0.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.98 0.00 0.00 0.00 0.00 0.00 0.00 127 P 0.00 4.16 0.00 1.75 1.64 0.00 2.52 0.00 0.00 2.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.80 0.00 128 E 8.11 4.17 0.00 2.05 1.96 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 2.04 2.21 0.00 129 G 8.52 3.98 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 0.00 0.00 0.00 0.00 0.00 0.00 130 L 7.16 4.81 0.00 1.68 1.54 0.73 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.00 0.00 0.00 0.00 0.00 0.00 131 S 8.42 4.43 0.00 4.21 4.04 0.00 0.00 0.00 0.00 0.00 0.00 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 8.69 3.73 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 0.00 0.00 0.00 133 E 8.10 3.97 0.00 2.19 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 0.00 2.38 2.36 0.00 134 Q 7.99 4.06 0.00 2.40 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.45 6.84 0.00 0.00 0.00 0.00 0.00 2.41 2.44 0.00 135 K 8.45 4.13 0.00 2.02 1.96 0.00 1.69 0.00 0.00 1.58 0.00 0.00 2.94 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.43 1.72 7.81 136 S 7.95 4.13 0.00 4.09 4.02 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 0.00 137 Q 8.50 4.09 0.00 2.34 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.23 6.59 0.00 0.00 0.00 0.00 0.00 2.42 2.57 0.00 138 W 8.54 4.07 0.00 3.52 3.52 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 0.00 0.00 0.00 139 M 8.86 3.55 0.00 2.21 2.32 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 2.63 2.49 0.00 140 L 8.45 3.99 0.00 1.83 1.68 0.93 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 141 T 8.25 3.81 4.29 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 1.20 0.00 0.00 142 I 7.50 3.53 1.54 0.00 0.00 0.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.35 0.06 0.72 0.00 0.00 143 K 8.12 3.87 0.00 1.76 1.97 0.00 1.62 0.00 0.00 1.63 0.00 0.00 2.94 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.41 1.44 7.81 144 A 8.27 3.98 1.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 7.28 3.62 2.21 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 0.95 0.00 0.00 1.06 0.00 0.00 146 V 7.71 3.81 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.91 0.00 0.00 0.97 0.00 0.00 147 Q 8.54 4.10 0.00 2.18 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.25 6.79 0.00 0.00 0.00 0.00 0.00 2.39 2.51 0.00 148 S 8.09 4.21 0.00 4.29 4.43 0.00 0.00 0.00 0.00 0.00 0.00 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 8.00 4.73 1.48 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 0.00 0.00 150 K 8.14 4.25 0.00 1.86 1.74 0.00 1.69 0.00 0.00 1.67 0.00 0.00 3.03 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.46 1.49 7.81 151 H 8.12 4.76 0.00 2.92 3.25 0.00 5.87 0.00 0.00 0.00 0.00 7.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 152 W 7.30 5.09 0.00 3.71 3.09 0.00 0.00 0.00 0.00 0.00 0.00 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 8.70 4.76 0.00 2.76 2.74 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 8.35 3.66 0.00 1.68 1.60 1.03 0.80 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 0.00 155 A 8.45 4.01 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 0.00 156 E 8.25 4.44 0.00 2.10 1.88 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 2.21 2.21 0.00 157 C 7.37 5.00 0.00 2.51 2.55 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 0.00 158 T 8.94 4.51 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 1.19 0.00 0.00 159 F 8.66 5.24 0.00 2.99 2.88 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 0.00 160 E 8.48 4.75 0.00 1.82 1.75 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 2.24 2.22 0.00 161 A 8.89 4.23 1.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 9.41 4.72 0.00 3.78 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 0.00 163 G 8.23 3.73 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 0.00 0.00 0.00 164 E 7.29 4.68 0.00 1.92 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.19 2.25 0.00 165 G 7.07 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 0.00 0.00 0.00 166 V 8.23 4.40 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 0.15 0.00 0.00 0.92 0.00 0.00 167 I 8.35 4.60 1.83 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.64 0.86 0.00 0.00 168 I 8.38 5.10 2.04 0.00 0.00 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.62 0.87 0.00 0.00 169 K 8.60 4.78 0.00 1.87 1.94 0.00 1.33 0.00 0.00 1.67 0.00 0.00 2.86 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.32 1.42 7.81 170 K 8.63 4.35 0.00 1.74 1.80 0.00 1.73 0.00 0.00 1.55 0.00 0.00 2.80 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.61 1.53 7.81 171 R 8.50 4.30 0.00 1.79 1.89 0.00 3.04 0.00 0.00 3.13 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 1.55 0.00 172 Q 8.60 4.10 0.00 2.04 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.95 0.00 0.00 0.00 0.00 0.00 2.35 2.39 0.00 173 I 8.23 3.85 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 1.42 0.66 0.91 0.00 0.00 174 T 8.17 4.77 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 0.00 175 P 0.00 4.33 0.00 2.17 2.16 0.00 3.91 0.00 0.00 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 1.94 0.00 176 D 7.97 4.26 0.00 2.95 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 0.00 177 V 7.80 4.04 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 0.93 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.