NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 66 N 4.6686 8.4249 118.2182 52.5038 37.5661 172.9537 67 L 4.5243 7.6168 126.2995 52.1340 45.0443 175.2528 68 S 4.2181 9.1715 116.1553 58.1854 64.9626 174.1955 69 A 4.0091 8.6405 130.1537 55.7339 18.3408 180.0448 70 C 4.2681 8.0445 112.0972 61.0179 29.8683 175.7109 71 E 3.9599 7.9973 121.0089 59.4466 29.2564 179.2538 72 V 3.5850 8.1585 118.2597 66.0645 31.6583 177.3394 73 A 3.9686 8.3920 120.7110 55.6693 18.1680 179.8012 74 V 3.5080 7.8171 115.1781 66.1411 31.7355 178.0763 75 L 4.2025 8.1395 118.7295 58.4188 41.3764 179.4351 76 D 4.4400 8.2356 118.1015 56.8896 40.9194 178.4502 77 L 3.9833 7.7685 119.4188 58.4995 41.7061 179.4136 78 Y 4.1461 7.9142 116.1882 60.8272 37.8596 177.6563 79 E 3.9802 8.3518 120.3942 59.6056 29.4913 178.8842 80 Q 4.1026 8.5937 117.4534 58.8971 28.7479 178.0468 81 S 4.5139 7.7286 113.6070 57.7035 64.2521 174.4994 82 N 4.0852 7.7648 117.3195 54.8096 36.2203 175.1524 83 I 4.4628 7.6584 117.7590 59.3496 39.7044 176.6034 84 R 4.1122 8.5008 125.1405 55.7904 30.7205 176.0551 85 I 4.0616 7.9661 123.2854 59.0105 38.2537 174.1510 86 P 4.2309 0.0000 0.0000 62.8577 31.9695 177.4407 87 S 4.1476 8.3170 115.3826 61.1886 63.2191 176.1946 88 D 4.3874 7.9399 122.3345 57.3778 40.4649 178.8101 89 I 3.7506 7.4076 120.0765 64.4184 37.1563 178.0192 90 I 3.6510 7.8160 120.1533 64.6273 37.0793 177.3398 91 E 3.8949 8.2228 119.6325 59.9705 29.2003 179.0344 92 D 4.5430 8.0078 116.8782 57.1476 40.8887 178.2945 93 L 4.2187 8.3064 120.8605 58.1275 42.1631 178.9846 94 V 3.7595 7.8189 112.3927 64.3422 32.0057 179.3895 95 N 4.9399 7.5741 115.3146 52.7798 37.0272 175.9321 96 Q 4.2681 10.2293 113.6825 55.0348 33.5479 176.0152 97 R 3.5680 7.9440 116.3829 56.9781 27.5196 176.1899 98 L 4.1651 7.4085 117.5515 55.1023 42.8001 177.6213 99 Q 4.3917 8.7040 119.5789 56.8662 30.8671 177.0635 100 S 4.6086 8.5371 113.4265 57.2416 65.8546 175.1052 101 E 4.0792 8.4942 121.0578 59.4021 29.2228 178.9153 102 Q 3.9604 8.2383 119.2060 59.5643 28.8732 178.8174 103 E 3.9855 8.0790 118.8915 59.4336 29.6452 178.7646 104 V 3.6270 7.3556 116.8914 66.2998 31.4170 177.3913 105 L 4.0351 8.2673 119.5002 58.7499 41.9694 179.1016 106 N 4.4502 8.2910 116.0045 56.3158 38.3342 176.9340 107 Y 4.0966 8.6943 121.3772 60.7841 38.9977 177.9265 108 I 3.6171 8.5181 121.0837 64.3700 37.3535 178.0811 109 E 4.0568 8.6747 119.8526 60.0460 29.3400 179.5924 110 T 3.9028 7.8682 115.3856 66.8059 68.4537 176.5074 111 Q 4.0603 7.6898 119.3529 58.4387 28.7637 178.6852 112 R 4.0722 8.0815 119.4993 59.4079 30.0644 179.0730 113 T 3.8759 7.8584 115.1637 66.7853 68.4701 175.7635 114 Y 3.7949 7.8754 121.3594 60.5212 38.6932 178.0335 115 W 4.6824 8.4525 118.4293 58.0531 29.0273 178.4922 116 K 3.9919 8.6039 120.8757 59.5632 31.3822 178.5776 117 L 4.0559 7.6615 118.1112 57.3280 41.5338 178.6104 118 E 3.8786 8.0067 119.4474 58.9126 29.3052 178.1838 119 N 4.5989 7.9020 114.9631 55.2201 38.8958 176.7651 120 Q 4.1369 7.6373 119.6616 57.1822 29.3905 176.4073 121 K 3.7771 6.9617 118.8430 56.6919 32.5622 176.1578 122 K 4.1465 8.4886 125.0403 55.6037 32.8925 175.7254 123 L 4.2411 8.3759 128.4799 54.2786 42.6191 175.4862 124 Y 4.1914 8.7059 128.1348 57.3328 39.2755 174.6222 125 R 4.2489 7.7788 123.8554 54.3462 30.6659 175.7551 126 G 3.7434 8.4014 112.2488 46.2121 0.0000 173.4260 127 S 4.1699 7.4177 114.0305 56.3134 64.1852 172.6985 128 L 3.0627 7.6896 123.5211 55.2148 41.6783 175.4492 *129 K 4.1330 8.5493 124.8931 54.8808 32.3453 171.9301 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 66 N 8.42 4.67 0.00 2.85 2.94 0.00 0.00 5.92 6.90 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 67 L 7.62 4.52 0.00 1.72 1.83 0.94 0.66 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 68 S 9.17 4.22 0.00 3.88 4.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 69 A 8.64 4.01 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 70 C 8.04 4.27 0.00 3.17 3.21 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 0.00 0.00 0.00 0.00 71 E 8.00 3.96 0.00 2.28 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 0.00 2.36 2.34 0.00 72 V 8.16 3.58 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 1.02 0.00 0.00 1.01 0.00 0.00 73 A 8.39 3.97 1.39 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 0.00 0.00 0.00 74 V 7.82 3.51 2.17 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 1.09 0.00 0.00 0.99 0.00 0.00 75 L 8.14 4.20 0.00 1.88 1.80 0.96 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 76 D 8.24 4.44 0.00 2.78 2.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 77 L 7.77 3.98 0.00 1.70 1.48 0.84 0.48 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 78 Y 7.91 4.15 0.00 3.28 2.95 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 79 E 8.35 3.98 0.00 2.10 2.14 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 2.33 2.39 0.00 80 Q 8.59 4.10 0.00 2.26 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.31 7.26 0.00 0.00 0.00 0.00 0.00 2.40 2.42 0.00 81 S 7.73 4.51 0.00 3.94 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 82 N 7.76 4.09 0.00 2.82 2.86 0.00 0.00 6.65 6.79 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 83 I 7.66 4.46 2.06 0.00 0.00 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.79 0.92 0.00 0.00 84 R 8.50 4.11 0.00 1.75 1.81 0.00 3.17 0.00 0.00 3.20 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.63 0.00 85 I 7.97 4.06 1.75 0.00 0.00 -0.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.54 0.75 0.00 0.00 86 P 0.00 4.23 0.00 1.82 1.55 0.00 3.44 0.00 0.00 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 1.87 0.00 87 S 8.32 4.15 0.00 3.99 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 88 D 7.94 4.39 0.00 2.69 2.90 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 89 I 7.41 3.75 1.91 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.47 0.88 0.00 0.00 90 I 7.82 3.65 1.98 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.78 0.92 0.00 0.00 91 E 8.22 3.89 0.00 2.26 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 2.34 2.45 0.00 92 D 8.01 4.54 0.00 2.97 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 93 L 8.31 4.22 0.00 1.84 1.97 1.10 1.10 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 94 V 7.82 3.76 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 0.87 0.00 0.00 1.03 0.00 0.00 95 N 7.57 4.94 0.00 2.81 2.82 0.00 0.00 6.94 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 96 Q 10.23 4.27 0.00 1.72 1.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5.33 6.59 0.00 0.00 0.00 0.00 0.00 2.29 1.78 0.00 97 R 7.94 3.57 0.00 1.83 1.99 0.00 3.35 0.00 0.00 3.20 7.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.56 0.00 98 L 7.41 4.17 0.00 1.59 1.56 0.82 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 0.00 0.00 0.00 0.00 99 Q 8.70 4.39 0.00 2.01 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.96 0.00 0.00 0.00 0.00 0.00 2.26 2.50 0.00 100 S 8.54 4.61 0.00 4.06 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 0.00 101 E 8.49 4.08 0.00 2.04 2.04 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 2.41 2.37 0.00 102 Q 8.24 3.96 0.00 2.17 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.94 0.00 0.00 0.00 0.00 0.00 2.45 2.56 0.00 103 E 8.08 3.99 0.00 2.04 1.99 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 2.34 2.32 0.00 104 V 7.36 3.63 2.32 0.00 0.00 0.00 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 0.99 0.00 0.00 105 L 8.27 4.04 0.00 1.77 1.86 0.87 0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 106 N 8.29 4.45 0.00 3.04 2.92 0.00 0.00 6.73 7.63 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 0.00 107 Y 8.69 4.10 0.00 3.13 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 0.00 108 I 8.52 3.62 2.08 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 1.56 0.66 0.81 0.00 0.00 109 E 8.67 4.06 0.00 2.10 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 0.00 2.62 2.59 0.00 110 T 7.87 3.90 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 1.20 0.00 0.00 111 Q 7.69 4.06 0.00 2.17 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.81 0.00 0.00 0.00 0.00 0.00 1.89 2.32 0.00 112 R 8.08 4.07 0.00 2.10 2.01 0.00 3.06 0.00 0.00 2.86 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.80 0.00 113 T 7.86 3.88 4.44 0.00 0.00 0.00 0.00 0.00 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 0.00 114 Y 7.88 3.79 0.00 2.92 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 0.00 115 W 8.45 4.68 0.00 3.63 3.21 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 0.00 0.00 0.00 0.00 116 K 8.60 3.99 0.00 1.83 2.05 0.00 1.64 0.00 0.00 1.67 0.00 0.00 2.93 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.45 1.51 7.81 117 L 7.66 4.06 0.00 1.75 1.50 0.88 0.93 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 0.00 118 E 8.01 3.88 0.00 1.55 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 2.03 2.43 0.00 119 N 7.90 4.60 0.00 2.95 2.92 0.00 0.00 6.99 9.03 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 0.00 120 Q 7.64 4.14 0.00 2.28 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.16 6.73 0.00 0.00 0.00 0.00 0.00 2.37 2.40 0.00 121 K 6.96 3.78 0.00 1.92 1.76 0.00 1.69 0.00 0.00 1.58 0.00 0.00 2.82 0.00 0.00 2.70 0.00 0.00 0.00 0.00 1.43 1.60 7.81 122 K 8.49 4.15 0.00 1.73 1.74 0.00 1.80 0.00 0.00 1.68 0.00 0.00 2.97 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.44 1.44 7.81 123 L 8.38 4.24 0.00 1.65 1.57 0.95 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 124 Y 8.71 4.19 0.00 2.96 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 0.00 125 R 7.78 4.25 0.00 1.83 1.77 0.00 3.21 0.00 0.00 3.21 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 1.39 0.00 126 G 8.40 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 0.00 0.00 0.00 127 S 7.42 4.17 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 0.00 128 L 7.69 3.06 0.00 1.61 1.57 0.86 0.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 0.00 0.00 0.00 0.00 0.00 0.00 *129 K 8.55 4.13 0.00 1.56 1.61 0.00 1.66 0.00 0.00 1.74 0.00 0.00 3.15 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.26 1.50 7.81 * Residues marked with a * may have inaccurate shift predictions.