NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- *-2 H 4.7399 8.3027 117.3733 54.8616 30.4906 175.2402 -1 M 3.8333 7.7672 119.7613 57.6533 32.5807 174.4968 *140 E 4.3155 7.9501 117.8868 56.2663 32.5425 177.3904 141 Q 4.0532 7.9244 116.5914 59.1707 28.2902 178.9294 142 R 3.9124 7.6544 119.3342 59.3119 30.0947 178.7414 143 I 3.7132 7.4581 119.4307 64.5245 37.2187 178.2177 144 L 3.9863 8.0523 119.5779 57.8965 41.4330 179.2298 145 K 3.8136 8.4388 119.5890 60.0599 31.8075 178.4217 146 F 4.1060 8.4775 120.0057 60.7863 39.4399 176.3601 147 L 4.3741 8.0261 116.2102 55.3994 41.5933 178.4239 148 E 4.1447 7.9076 120.0157 58.9848 30.1323 178.6420 149 E 4.7177 7.3778 115.9453 56.4897 28.8470 177.3072 150 L 4.4971 7.2793 114.6839 53.1312 44.5759 173.9500 151 G 3.9469 7.8732 115.8426 44.6771 0.0000 173.2494 152 E 3.9462 8.6910 124.4084 57.3144 29.9679 175.7573 153 G 4.0612 9.0041 115.3767 46.1447 0.0000 174.6035 154 K 4.1707 7.6301 118.6692 55.6452 32.7568 175.7306 155 A 5.0510 8.2565 123.1058 50.5826 22.6608 174.0713 156 T 4.8705 8.7030 112.2979 61.4270 71.8533 172.2797 157 T 5.2172 8.4101 112.8716 59.6403 71.8877 175.2273 158 A 3.9754 8.7251 122.9158 54.7532 18.3683 179.5022 159 H 4.0979 8.1861 116.9374 59.4421 30.1320 176.2730 160 D 4.2985 8.0337 119.8206 57.6076 40.9521 178.2849 161 L 3.5683 7.9088 119.0109 57.9361 41.6790 179.3461 162 S 4.3319 7.3840 114.2147 61.3984 62.2039 175.8490 163 G 3.5906 8.3742 108.6268 46.3082 0.0000 175.5465 164 K 3.8386 7.9957 122.3608 59.0817 32.4613 178.3918 165 L 4.0027 8.0595 116.2662 54.7519 41.9356 177.1265 166 G 3.9611 8.2180 107.3434 46.5594 0.0000 174.1552 167 T 4.6402 7.8156 113.6871 59.7611 73.2134 172.6520 168 P 4.3269 0.0000 0.0000 62.4315 33.0824 177.5730 169 K 3.8214 8.7424 122.4156 59.5747 32.0960 178.7759 170 K 3.8161 8.0342 119.3476 59.5856 32.0665 178.2164 171 E 3.8999 8.0318 118.8664 59.2892 29.6004 178.0859 172 I 3.5384 7.5752 119.7161 64.8952 37.1428 177.9664 173 N 4.1598 8.4640 117.0110 56.2185 37.9859 177.2915 174 R 3.8496 7.7518 119.6190 59.7571 30.2116 178.7990 175 V 3.6666 7.7624 117.7332 65.6950 31.5147 178.0182 176 L 3.6200 7.8616 119.1417 57.9341 41.4545 179.1587 177 Y 4.2279 8.3898 116.7086 60.7147 37.5169 178.2021 178 S 4.3373 7.5554 112.4094 60.7560 62.6970 175.7887 179 L 4.1779 7.8581 121.6560 57.5322 41.0557 178.8461 180 A 4.8322 8.0232 121.9896 54.6200 18.0601 179.3989 181 K 4.0903 7.6479 115.7685 58.5957 32.4767 178.3458 182 K 4.2849 7.6766 116.5454 56.8739 32.1222 175.9851 183 G 4.2364 8.1535 107.3673 45.4201 0.0000 175.6052 184 K 3.7694 8.0742 118.4372 58.8348 33.1862 176.6381 185 L 5.3864 7.7192 117.2774 52.7737 46.1590 175.3708 186 Q 4.7654 8.9471 120.2353 54.2679 32.4395 173.5139 187 K 3.5802 8.4138 126.7023 54.4786 34.1373 176.2675 188 E 4.3667 8.3765 128.6614 53.6234 28.5819 173.9966 189 A 3.8277 7.6563 122.7497 52.5536 19.1263 177.9818 190 G 3.9748 7.8331 107.8840 46.5077 0.0000 174.0836 191 T 4.5599 8.2763 111.4345 61.3573 69.4664 171.5697 192 P 4.6555 0.0000 0.0000 60.9832 32.9437 175.0979 193 P 4.4769 0.0000 0.0000 62.5945 32.0240 176.0500 194 L 5.0643 8.1018 122.0920 52.8807 44.9355 175.5092 195 W 5.3798 9.2035 122.1029 54.8934 32.9452 174.6377 196 K 5.0064 8.7583 121.9609 55.3395 36.0757 175.2061 197 I 4.2176 8.4572 121.0984 61.5905 37.7572 175.9882 198 A 4.1390 8.4052 127.7140 51.9844 18.9095 177.1774 199 V 4.1190 8.2104 122.6243 60.6274 32.7952 175.5056 200 S 4.2328 8.7058 122.2771 59.1936 62.6057 173.5923 201 T 4.6549 8.2684 116.1410 61.2874 69.2487 173.7809 202 Q 4.1482 7.7568 124.5877 57.2311 28.8265 175.3831 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 *-2 H 8.30 4.74 0.00 2.85 3.14 0.00 7.16 0.00 0.00 0.00 0.00 6.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -1 M 7.77 3.83 0.00 2.14 2.07 0.00 0.00 0.00 0.00 0.00 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.62 2.78 0.00 *140 E 7.95 4.32 0.00 2.09 2.00 0.00 0.00 0.00 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 2.30 0.00 141 Q 7.92 4.05 0.00 2.28 2.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.61 6.92 0.00 0.00 0.00 0.00 0.00 2.48 2.54 0.00 142 R 7.65 3.91 0.00 2.10 2.02 0.00 3.31 0.00 0.00 3.17 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.93 0.00 143 I 7.46 3.71 2.00 0.00 0.00 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.72 0.87 0.00 0.00 144 L 8.05 3.99 0.00 1.84 1.75 0.95 0.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 145 K 8.44 3.81 0.00 1.92 2.13 0.00 1.66 0.00 0.00 1.62 0.00 0.00 2.94 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.58 1.50 7.81 146 F 8.48 4.11 0.00 3.18 3.26 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 0.00 147 L 8.03 4.37 0.00 1.86 1.76 1.02 1.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 0.00 0.00 0.00 0.00 0.00 0.00 148 E 7.91 4.14 0.00 2.04 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 2.46 2.49 0.00 149 E 7.38 4.72 0.00 1.72 1.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.26 2.20 0.00 150 L 7.28 4.50 0.00 1.52 1.58 1.03 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 0.00 0.00 0.00 0.00 0.00 0.00 151 G 7.87 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 0.00 0.00 0.00 152 E 8.69 3.95 0.00 1.96 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 2.31 2.26 0.00 153 G 9.00 4.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 K 7.63 4.17 0.00 1.85 1.76 0.00 1.59 0.00 0.00 1.92 0.00 0.00 3.10 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.47 1.43 7.81 155 A 8.26 5.05 1.25 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 0.00 0.00 156 T 8.70 4.87 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 1.37 0.00 0.00 157 T 8.41 5.22 4.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.00 0.00 158 A 8.73 3.98 1.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 159 H 8.19 4.10 0.00 3.22 3.33 0.00 5.72 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 160 D 8.03 4.30 0.00 2.88 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 0.00 161 L 7.91 3.57 0.00 1.73 1.49 0.77 0.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 0.00 0.00 0.00 0.00 0.00 0.00 162 S 7.38 4.33 0.00 4.06 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 0.00 163 G 8.37 3.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 K 8.00 3.84 0.00 1.28 1.71 0.00 1.88 0.00 0.00 1.73 0.00 0.00 3.01 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.61 1.57 7.81 165 L 8.06 4.00 0.00 1.55 1.59 0.72 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.01 0.00 0.00 0.00 0.00 0.00 0.00 166 G 8.22 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 0.00 167 T 7.82 4.64 4.17 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 0.00 0.00 0.00 1.16 0.00 0.00 168 P 0.00 4.33 0.00 2.13 1.95 0.00 3.58 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 2.09 2.12 0.00 169 K 8.74 3.82 0.00 1.82 1.82 0.00 1.79 0.00 0.00 1.81 0.00 0.00 2.92 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.53 1.67 7.81 170 K 8.03 3.82 0.00 1.84 1.78 0.00 1.75 0.00 0.00 1.72 0.00 0.00 2.89 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.48 1.48 7.81 171 E 8.03 3.90 0.00 2.04 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.33 2.36 0.00 172 I 7.58 3.54 1.94 0.00 0.00 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.70 0.73 0.00 0.00 173 N 8.46 4.16 0.00 2.86 2.93 0.00 0.00 6.76 8.22 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 0.00 174 R 7.75 3.85 0.00 1.98 2.15 0.00 3.06 0.00 0.00 3.07 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.64 0.00 175 V 7.76 3.67 2.23 0.00 0.00 0.00 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 0.90 0.00 0.00 176 L 7.86 3.62 0.00 1.09 0.13 -0.19 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.00 0.00 0.00 0.00 0.00 0.00 177 Y 8.39 4.23 0.00 3.13 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 0.00 178 S 7.56 4.34 0.00 4.05 4.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 179 L 7.86 4.18 0.00 1.80 1.72 0.91 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 0.00 0.00 0.00 0.00 0.00 0.00 180 A 8.02 4.83 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 0.00 0.00 0.00 0.00 0.00 181 K 7.65 4.09 0.00 1.98 1.99 0.00 1.87 0.00 0.00 1.75 0.00 0.00 3.07 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.48 1.52 7.81 182 K 7.68 4.28 0.00 1.99 1.86 0.00 1.75 0.00 0.00 1.72 0.00 0.00 3.06 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.47 1.56 7.81 183 G 8.15 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 0.00 0.00 0.00 0.00 184 K 8.07 3.77 0.00 1.72 1.94 0.00 1.64 0.00 0.00 1.83 0.00 0.00 2.89 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.56 1.48 7.81 185 L 7.72 5.39 0.00 1.71 1.74 0.99 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 186 Q 8.95 4.77 0.00 2.08 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.57 6.77 0.00 0.00 0.00 0.00 0.00 2.13 2.20 0.00 187 K 8.41 3.58 0.00 0.79 1.09 0.00 1.37 0.00 0.00 0.83 0.00 0.00 2.52 0.00 0.00 2.74 0.00 0.00 0.00 0.00 0.47 0.21 7.81 188 E 8.38 4.37 0.00 1.88 1.73 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 2.13 2.10 0.00 189 A 7.66 3.83 1.15 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 0.00 0.00 190 G 7.83 3.97 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 0.00 0.00 0.00 191 T 8.28 4.56 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 1.22 0.00 0.00 192 P 0.00 4.66 0.00 2.28 2.12 0.00 3.79 0.00 0.00 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.03 0.00 193 P 0.00 4.48 0.00 1.94 1.80 0.00 3.81 0.00 0.00 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.23 2.28 0.00 194 L 8.10 5.06 0.00 1.50 1.53 0.91 1.07 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 0.00 195 W 9.20 5.38 0.00 3.22 3.07 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 0.00 196 K 8.76 5.01 0.00 1.77 1.90 0.00 1.32 0.00 0.00 1.63 0.00 0.00 2.86 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.31 1.43 7.81 197 I 8.46 4.22 1.89 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.83 0.93 0.00 0.00 198 A 8.41 4.14 1.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 199 V 8.21 4.12 2.07 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 0.81 0.00 0.00 0.99 0.00 0.00 200 S 8.71 4.23 0.00 3.87 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 0.00 201 T 8.27 4.65 4.23 0.00 0.00 0.00 0.00 0.00 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 0.00 202 Q 7.76 4.15 0.00 2.23 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.13 6.58 0.00 0.00 0.00 0.00 0.00 2.34 2.30 0.00 * Residues marked with a * may have inaccurate shift predictions.