NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 12 K 4.2498 8.3031 119.9970 56.1846 32.7139 175.2004 13 G 3.6702 8.4224 114.2052 44.3650 0.0000 169.8687 14 I 4.2846 8.2502 111.5625 60.0126 39.0616 173.6826 15 L 4.2427 7.7701 123.4738 54.4268 41.5939 176.4809 16 K 4.1924 8.7281 127.2902 58.4520 32.2750 177.8129 17 N 4.7858 7.9358 113.1612 52.4041 39.1724 174.3743 *44 K 4.0326 7.7255 116.8791 56.5672 33.6792 174.6060 45 S 4.6237 8.2069 114.3011 56.2284 64.3437 173.3642 46 Q 3.9251 8.4435 128.7700 55.6162 29.3339 174.8302 47 K 4.4292 7.9955 123.1124 54.1923 35.9301 174.8985 48 W 4.8754 8.1767 118.9697 54.9554 31.5434 176.9762 49 D 4.6459 8.6889 121.8411 53.9285 39.8040 176.4688 50 E 4.0830 8.5814 126.5560 59.0755 29.3548 178.3445 51 M 4.1039 8.0665 117.9288 58.2387 32.1878 177.3278 52 N 4.4492 8.0779 117.0163 56.0346 38.9768 177.0488 53 I 3.7749 7.6724 120.3481 64.1159 37.3474 177.8100 54 L 4.1115 7.6693 118.6245 57.4777 41.5236 178.8814 55 A 4.2740 7.7105 119.5836 53.6936 18.5372 178.1318 56 T 4.2677 7.3945 107.9054 62.2364 69.2035 174.7803 *130 L 4.1015 7.5805 120.7236 53.9892 42.4864 181.2605 131 S 4.3563 7.9785 115.3211 57.5440 64.1432 173.9495 132 P 4.2600 0.0000 0.0000 65.4992 31.4108 177.9875 133 E 4.1164 8.2240 119.6700 59.0160 29.6636 178.2455 134 E 3.9834 8.0895 118.0983 58.8627 29.5207 178.7398 135 R 3.9087 8.2074 119.5029 59.2614 29.9283 178.2580 136 E 3.9458 7.7952 118.5382 59.2895 29.9107 178.5366 137 K 3.8542 8.1606 118.0646 59.7229 32.0636 178.9631 138 K 4.0452 8.0799 119.4855 59.4115 32.1968 178.9282 139 R 3.9557 7.7601 119.2595 59.5536 29.9406 178.5956 140 Q 4.0421 8.4175 118.0940 58.7333 28.6066 178.3709 141 F 4.0859 8.2355 121.5112 61.3212 39.6112 176.7691 142 E 3.8315 8.4032 118.9371 59.4768 29.2615 178.7599 143 M 4.0401 7.8929 118.2588 57.8922 32.1825 178.3622 144 K 3.7466 8.0500 119.9540 59.6607 32.3627 178.7865 145 R 3.5849 7.8127 119.0786 59.0773 29.6981 178.4189 146 K 4.0202 7.6487 118.3210 59.2906 32.2803 178.1940 147 L 4.0507 7.9265 120.0852 58.4801 42.0519 178.1798 148 H 4.1432 7.9712 117.1143 58.4217 31.1351 176.1697 149 Y 5.1199 7.6132 121.0118 55.7687 34.7655 174.8614 150 N 4.9527 7.4947 115.2534 52.3372 38.6373 177.1627 151 E 3.8955 8.4627 121.1600 60.1480 29.5425 179.4640 152 G 3.7252 8.3704 105.0385 47.9391 0.0000 175.0501 153 L 4.0747 7.9037 121.7028 57.1892 42.1624 177.8571 154 N 4.9066 7.6886 113.8333 52.7085 39.2029 176.3105 155 I 3.6702 7.4004 122.6351 64.3089 37.2456 177.9935 156 K 3.8761 7.9983 119.7357 59.4069 32.0015 178.0779 157 L 3.9045 7.9725 119.7386 58.2984 41.9587 178.4950 158 A 3.9791 8.2005 120.6635 55.3008 18.2079 179.7315 159 R 3.8644 8.0574 116.3238 59.6821 30.2039 179.3363 160 Q 4.0143 8.1643 117.6543 58.8780 28.7760 178.9277 161 L 4.0013 8.2201 120.2543 57.8774 41.5509 179.6421 162 I 3.7320 7.9405 119.7504 64.3531 37.0596 178.5060 163 S 4.1843 8.4029 116.6528 61.6833 62.6206 177.0255 164 K 4.1191 8.1440 121.0819 59.7762 32.3139 178.8734 165 D 4.3852 7.8684 119.0701 56.7654 40.7660 178.1903 166 L 4.1345 7.5921 121.3530 58.2147 42.0793 177.9197 167 H 4.2790 7.9500 115.1948 57.4745 29.7586 175.9716 168 D 4.4884 7.6397 119.4562 58.2441 41.2089 175.4182 169 D 4.5081 7.6511 122.3051 54.5715 40.8552 176.0395 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 12 K 8.30 4.25 0.00 1.86 1.94 0.00 1.44 0.00 0.00 1.70 0.00 0.00 3.04 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.30 1.51 7.81 13 G 8.42 3.67 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 0.00 0.00 0.00 14 I 8.25 4.28 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 1.30 0.77 0.91 0.00 0.00 15 L 7.77 4.24 0.00 1.61 1.64 0.96 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 16 K 8.73 4.19 0.00 1.78 1.85 0.00 1.73 0.00 0.00 1.75 0.00 0.00 3.03 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.44 1.42 7.81 17 N 7.94 4.79 0.00 2.78 2.88 0.00 0.00 5.99 7.13 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 *44 K 7.73 4.03 0.00 1.86 1.86 0.00 1.50 0.00 0.00 1.60 0.00 0.00 2.89 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.28 1.40 7.81 45 S 8.21 4.62 0.00 3.78 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 46 Q 8.44 3.93 0.00 1.88 1.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.42 6.56 0.00 0.00 0.00 0.00 0.00 1.90 2.00 0.00 47 K 8.00 4.43 0.00 1.60 1.61 0.00 1.76 0.00 0.00 1.61 0.00 0.00 3.03 0.00 0.00 2.75 0.00 0.00 0.00 0.00 1.27 1.36 7.81 48 W 8.18 4.88 0.00 3.50 3.04 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 49 D 8.69 4.65 0.00 2.86 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 50 E 8.58 4.08 0.00 2.06 2.01 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 2.65 2.37 0.00 51 M 8.07 4.10 0.00 2.14 2.08 0.00 0.00 0.00 0.00 0.00 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.67 2.66 0.00 52 N 8.08 4.45 0.00 2.95 3.06 0.00 0.00 7.09 7.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53 I 7.67 3.77 1.83 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 1.89 0.87 0.80 0.00 0.00 54 L 7.67 4.11 0.00 1.62 1.72 0.99 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 55 A 7.71 4.27 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 56 T 7.39 4.27 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 1.27 0.00 0.00 *130 L 7.58 4.10 0.00 1.71 1.54 0.92 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 131 S 7.98 4.36 0.00 3.79 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 0.00 132 P 0.00 4.26 0.00 2.26 2.17 0.00 3.81 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 1.98 2.01 0.00 133 E 8.22 4.12 0.00 2.12 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 2.30 2.38 0.00 134 E 8.09 3.98 0.00 2.15 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 2.38 2.35 0.00 135 R 8.21 3.91 0.00 2.13 2.12 0.00 3.14 0.00 0.00 3.10 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.70 0.00 136 E 7.80 3.95 0.00 2.26 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 0.00 2.31 2.40 0.00 137 K 8.16 3.85 0.00 1.92 1.87 0.00 1.75 0.00 0.00 1.76 0.00 0.00 2.88 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.55 1.47 7.81 138 K 8.08 4.05 0.00 1.98 1.83 0.00 1.65 0.00 0.00 1.60 0.00 0.00 2.90 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.51 1.44 7.81 139 R 7.76 3.96 0.00 2.05 2.06 0.00 3.16 0.00 0.00 3.18 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.69 0.00 140 Q 8.42 4.04 0.00 2.29 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.16 6.58 0.00 0.00 0.00 0.00 0.00 2.56 2.53 0.00 141 F 8.24 4.09 0.00 3.19 3.24 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 0.00 142 E 8.40 3.83 0.00 2.44 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 2.35 2.44 0.00 143 M 7.89 4.04 0.00 2.10 2.17 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 2.61 2.53 0.00 144 K 8.05 3.75 0.00 1.96 1.68 0.00 1.63 0.00 0.00 1.57 0.00 0.00 2.85 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.33 1.40 7.81 145 R 7.81 3.58 0.00 1.22 1.76 0.00 3.37 0.00 0.00 3.05 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 1.58 0.00 146 K 7.65 4.02 0.00 1.89 1.93 0.00 1.87 0.00 0.00 1.63 0.00 0.00 2.97 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.45 1.46 7.81 147 L 7.93 4.05 0.00 1.73 1.82 0.90 1.22 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 0.00 148 H 7.97 4.14 0.00 3.02 3.06 0.00 5.99 0.00 0.00 0.00 0.00 7.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 149 Y 7.61 5.12 0.00 3.03 2.81 0.00 0.00 0.00 0.00 0.00 0.00 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 N 7.49 4.95 0.00 2.91 2.98 0.00 0.00 6.08 7.66 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 0.00 151 E 8.46 3.90 0.00 2.13 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 0.00 2.45 2.43 0.00 152 G 8.37 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 0.00 153 L 7.90 4.07 0.00 1.62 1.98 0.92 1.24 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 0.00 154 N 7.69 4.91 0.00 2.73 2.77 0.00 0.00 6.90 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 0.00 155 I 7.40 3.67 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 1.41 1.11 0.91 0.00 0.00 156 K 8.00 3.88 0.00 1.86 1.80 0.00 1.62 0.00 0.00 1.74 0.00 0.00 3.00 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.51 1.56 7.81 157 L 7.97 3.90 0.00 1.79 1.82 0.92 1.05 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 0.00 158 A 8.20 3.98 1.37 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 0.00 0.00 0.00 159 R 8.06 3.86 0.00 2.14 1.99 0.00 3.14 0.00 0.00 3.17 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.68 0.00 160 Q 8.16 4.01 0.00 2.25 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.40 6.81 0.00 0.00 0.00 0.00 0.00 2.38 2.56 0.00 161 L 8.22 4.00 0.00 1.88 1.72 0.92 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 162 I 7.94 3.73 2.02 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 1.52 0.79 0.92 0.00 0.00 163 S 8.40 4.18 0.00 4.09 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 0.00 164 K 8.14 4.12 0.00 2.00 2.06 0.00 1.31 0.00 0.00 1.65 0.00 0.00 2.96 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.42 1.48 7.81 165 D 7.87 4.39 0.00 2.98 2.78 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 0.00 166 L 7.59 4.13 0.00 1.93 1.78 0.92 0.85 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 0.00 167 H 7.95 4.28 0.00 3.34 3.30 0.00 6.01 0.00 0.00 0.00 0.00 6.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 168 D 7.64 4.49 0.00 2.77 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 0.00 169 D 7.65 4.51 0.00 2.66 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 * Residues marked with a * may have inaccurate shift predictions.