NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 101 A 4.0702 8.1233 122.4563 51.9378 20.8195 175.8835 *103 D 4.4138 8.5597 118.8772 54.5538 40.9875 176.1116 104 C 4.5207 8.8525 121.6405 59.5424 40.5240 174.1283 105 A 4.7634 7.3653 117.8608 50.6995 22.6189 175.3967 106 K 4.8204 8.1125 120.3219 53.9490 35.5815 176.6900 107 G 3.8487 7.5944 113.3354 45.9212 0.0000 171.6089 108 K 4.6422 8.0499 118.9208 55.8162 33.0170 176.4543 109 I 4.1997 8.0155 121.9550 60.7621 37.8227 175.8475 110 E 4.3132 9.2643 128.3195 59.0305 30.1329 176.4052 111 F 5.1463 7.3619 111.9964 56.0898 41.0662 172.8620 112 S 5.2088 8.8394 113.2404 56.7833 66.5086 173.1500 113 K 4.5649 8.5169 121.7343 55.2373 35.7908 173.9676 114 Y 4.8393 8.7759 128.7041 56.6725 39.8472 174.3435 115 N 4.9518 8.2757 123.9930 51.2329 40.7103 175.7060 116 E 3.9712 8.7902 121.7081 59.2289 29.7371 177.3504 117 D 4.5944 7.9429 115.8291 53.0323 39.5945 176.2002 118 N 3.9694 8.1824 115.7502 54.3171 36.5971 174.1290 119 T 4.6530 7.8002 110.0497 60.6802 71.7729 173.0645 120 F 5.3867 9.2713 123.0612 56.7933 42.8806 173.3209 121 T 5.4555 8.5970 122.3930 61.9708 71.4571 173.6518 122 V 4.7477 9.0827 118.3203 59.3728 36.3106 174.3646 123 K 4.6402 8.1511 125.4988 54.6776 34.0608 175.0357 124 V 4.4961 8.3766 127.3199 61.4659 34.7146 175.6656 125 S 3.6648 9.5912 123.8755 59.8172 60.1457 173.3780 126 G 3.9372 8.3341 105.1856 45.8158 0.0000 173.6730 127 R 4.5918 7.6782 118.7589 54.1885 33.5152 174.6360 128 E 4.8518 8.3245 121.9806 55.3309 31.7367 174.8470 129 Y 5.4395 8.9934 120.4033 56.0689 42.8505 174.2242 130 W 5.7837 8.8666 118.4467 55.3479 32.2941 173.8527 131 T 4.5771 9.1113 113.9720 60.4566 70.4693 173.5802 132 N 5.0241 8.5327 122.7492 52.6140 37.9577 175.2070 133 R 3.4855 7.5218 120.0475 54.9239 29.2400 177.1782 134 W 4.3647 6.0465 121.1265 58.2992 27.9110 178.4941 135 N 4.5665 7.6533 117.1697 56.3012 38.3563 176.9498 136 L 4.2299 7.5809 117.5286 56.9905 41.5211 179.0932 137 Q 3.1209 7.7745 119.0649 58.3914 28.6209 177.2871 138 P 4.2302 0.0000 0.0000 65.8138 31.4172 178.3298 139 L 3.8429 7.3583 115.9019 57.5409 41.4816 179.5169 140 L 4.3143 8.6570 119.2849 57.9339 41.5760 179.3373 141 Q 4.1603 8.3572 119.6124 59.2907 29.0789 178.4930 142 S 4.1235 8.4136 116.1745 61.4958 62.8916 176.3878 143 A 4.1021 8.1440 123.5069 55.1794 18.0521 179.5055 144 Q 3.9530 8.3374 117.9722 59.5303 29.0381 178.3460 145 L 4.0736 7.9845 118.8588 57.6098 41.7723 178.8150 146 T 4.3998 7.7967 106.5440 60.8720 69.4601 174.8836 147 G 3.8466 7.7985 109.4231 46.9495 0.0000 174.0074 148 M 4.3898 7.9596 118.1856 55.2105 33.2591 176.4061 149 T 4.4570 8.4272 117.6031 63.0551 70.1516 174.2279 150 V 4.5565 8.6516 126.5869 61.5061 34.8905 174.8740 151 T 4.5469 7.9891 121.1255 61.7031 72.1521 173.2232 152 I 3.7470 8.0841 128.8796 60.6898 38.2255 175.2742 153 I 4.8019 7.7709 128.1781 59.6240 39.1908 174.9212 154 S 4.4433 8.4178 120.4255 57.9563 65.4427 173.9873 155 N 4.5235 8.8354 118.8399 54.3235 38.8408 175.6761 156 T 4.5137 7.7933 107.8818 60.2266 70.1203 174.3096 157 C 4.8988 8.7554 123.0452 56.3953 35.7174 174.1837 158 S 4.4081 7.8152 115.9319 57.4474 63.4943 173.5445 159 S 3.6758 8.3985 117.2416 60.4519 62.2585 174.5483 160 G 4.0432 9.0304 115.8156 45.1365 0.0000 173.5707 161 S 4.6699 7.7567 116.0905 57.9271 64.5371 173.8626 162 G 2.9562 8.2109 108.8236 45.2043 0.0000 172.8466 163 F 4.9731 7.7399 114.4590 55.2479 41.1211 174.4418 164 A 4.3061 8.3080 119.5959 51.8621 20.7191 175.3375 165 E 4.8798 8.1615 118.8255 55.4734 33.1910 174.5874 166 V 4.7834 8.3082 124.5884 60.4878 34.5361 173.0089 167 Q 4.6194 8.3918 124.3617 54.3162 31.8051 173.8882 168 F 5.1655 8.8507 123.6069 55.7588 41.3312 175.1880 169 N 4.7080 9.1929 120.9969 53.3289 38.4221 174.6024 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 101 A 8.12 4.07 1.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 D 8.56 4.41 0.00 2.52 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 0.00 104 C 8.85 4.52 0.00 2.41 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 0.00 105 A 7.37 4.76 1.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 K 8.11 4.82 0.00 1.54 1.58 0.00 1.90 0.00 0.00 1.66 0.00 0.00 2.75 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.29 1.45 7.81 107 G 7.59 3.85 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 0.00 0.00 0.00 108 K 8.05 4.64 0.00 1.77 1.76 0.00 1.81 0.00 0.00 1.71 0.00 0.00 2.96 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.44 1.41 7.81 109 I 8.02 4.20 1.93 0.00 0.00 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.51 0.98 0.00 0.00 110 E 9.26 4.31 0.00 1.95 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 2.45 2.31 0.00 111 F 7.36 5.15 0.00 3.09 3.12 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 0.00 0.00 0.00 0.00 112 S 8.84 5.21 0.00 3.50 3.92 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 0.00 0.00 0.00 113 K 8.52 4.56 0.00 1.90 1.68 0.00 1.64 0.00 0.00 1.64 0.00 0.00 2.79 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.51 1.41 7.81 114 Y 8.78 4.84 0.00 3.35 2.96 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 0.00 115 N 8.28 4.95 0.00 2.81 2.61 0.00 0.00 6.22 7.21 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 0.00 116 E 8.79 3.97 0.00 1.96 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 2.31 2.35 0.00 117 D 7.94 4.59 0.00 2.74 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 0.00 118 N 8.18 3.97 0.00 2.94 3.09 0.00 0.00 6.86 7.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 119 T 7.80 4.65 4.59 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 1.24 0.00 0.00 120 F 9.27 5.39 0.00 3.14 2.98 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 0.00 121 T 8.60 5.46 4.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.00 0.00 122 V 9.08 4.75 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 0.91 0.00 0.00 1.02 0.00 0.00 123 K 8.15 4.64 0.00 0.79 0.84 0.00 1.57 0.00 0.00 1.70 0.00 0.00 2.82 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.17 1.27 7.81 124 V 8.38 4.50 2.05 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 0.84 0.00 0.00 0.82 0.00 0.00 125 S 9.59 3.66 0.00 4.05 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 0.00 126 G 8.33 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 0.00 0.00 0.00 127 R 7.68 4.59 0.00 1.88 1.37 0.00 3.09 0.00 0.00 3.17 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.69 0.00 128 E 8.32 4.85 0.00 1.85 1.81 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 2.15 2.22 0.00 129 Y 8.99 5.44 0.00 2.66 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 0.00 130 W 8.87 5.78 0.00 3.52 3.22 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 0.00 0.00 0.00 0.00 131 T 9.11 4.58 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 1.26 0.00 0.00 132 N 8.53 5.02 0.00 2.95 3.11 0.00 0.00 6.11 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 0.00 133 R 7.52 3.49 0.00 1.58 1.54 0.00 2.97 0.00 0.00 2.80 7.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 1.43 0.00 134 W 6.05 4.36 0.00 3.68 3.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 135 N 7.65 4.57 0.00 2.75 2.92 0.00 0.00 7.17 6.74 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 0.00 136 L 7.58 4.23 0.00 1.83 1.78 0.84 1.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 137 Q 7.77 3.12 0.00 2.17 1.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.30 6.80 0.00 0.00 0.00 0.00 0.00 1.68 2.27 0.00 138 P 0.00 4.23 0.00 2.24 2.29 0.00 3.77 0.00 0.00 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.16 2.07 0.00 139 L 7.36 3.84 0.00 1.83 1.41 0.85 0.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 140 L 8.66 4.31 0.00 1.86 2.07 1.34 1.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 0.00 0.00 0.00 0.00 0.00 0.00 141 Q 8.36 4.16 0.00 2.29 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.81 0.00 0.00 0.00 0.00 0.00 2.45 2.56 0.00 142 S 8.41 4.12 0.00 3.99 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 0.00 143 A 8.14 4.10 1.67 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 0.00 144 Q 8.34 3.95 0.00 2.25 2.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.71 0.00 0.00 0.00 0.00 0.00 2.45 2.48 0.00 145 L 7.98 4.07 0.00 1.70 1.77 0.97 0.80 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 0.00 146 T 7.80 4.40 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 1.23 0.00 0.00 147 G 7.80 3.85 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 0.00 0.00 0.00 148 M 7.96 4.39 0.00 2.05 2.16 0.00 0.00 0.00 0.00 0.00 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.70 2.58 0.00 149 T 8.43 4.46 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 1.17 0.00 0.00 150 V 8.65 4.56 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 0.64 0.00 0.00 0.88 0.00 0.00 151 T 7.99 4.55 4.07 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 1.11 0.00 0.00 152 I 8.08 3.75 1.01 0.00 0.00 0.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.72 0.21 -0.42 0.00 0.00 153 I 7.77 4.80 1.91 0.00 0.00 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.99 0.61 0.93 0.00 0.00 154 S 8.42 4.44 0.00 3.80 3.63 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 0.00 155 N 8.84 4.52 0.00 2.73 2.84 0.00 0.00 6.68 7.54 0.00 0.00 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 7.79 4.51 4.28 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 1.23 0.00 0.00 157 C 8.76 4.90 0.00 3.01 3.22 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 0.00 0.00 0.00 0.00 158 S 7.82 4.41 0.00 4.00 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 0.00 159 S 8.40 3.68 0.00 3.69 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 0.00 160 G 9.03 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 0.00 0.00 0.00 161 S 7.76 4.67 0.00 3.96 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 0.00 162 G 8.21 2.96 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 0.00 163 F 7.74 4.97 0.00 2.97 2.73 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 0.00 164 A 8.31 4.31 1.05 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 0.00 0.00 165 E 8.16 4.88 0.00 1.96 1.82 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 0.00 2.23 2.26 0.00 166 V 8.31 4.78 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 0.71 0.00 0.00 0.23 0.00 0.00 167 Q 8.39 4.62 0.00 2.09 1.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.79 0.00 0.00 0.00 0.00 0.00 2.20 2.30 0.00 168 F 8.85 5.17 0.00 2.89 2.96 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 0.00 169 N 9.19 4.71 0.00 2.53 2.69 0.00 0.00 6.92 7.39 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 * Residues marked with a * may have inaccurate shift predictions.