NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 82 E 4.3513 8.3033 121.4747 56.2814 31.7394 177.7399 83 E 3.8812 8.1995 118.0393 59.0411 29.2128 176.2060 84 E 3.9596 8.9638 119.7423 59.5478 30.0362 178.8656 85 I 3.6867 7.7239 119.6980 64.4555 37.0704 178.5489 86 R 4.1411 7.9392 119.1154 59.3983 30.0292 178.0139 87 E 3.9406 8.9224 119.4322 58.7954 29.3581 178.6761 88 A 3.9437 7.9367 120.3473 55.2924 18.7767 179.0815 89 F 4.1032 7.8711 116.2910 60.8605 38.8607 177.9768 90 R 3.7864 8.2471 118.4667 59.3512 29.6657 178.7083 91 V 3.6260 8.1462 117.3214 65.0926 31.3931 176.9361 92 F 4.6020 7.8459 115.7045 56.1038 39.9207 175.5668 93 D 4.6905 8.5254 120.0857 51.8146 41.5859 175.6911 94 K 3.9600 8.6143 126.9662 58.5542 32.4968 177.1595 95 D 4.6398 8.1802 116.2332 53.1865 41.4748 176.8156 96 G 3.9968 7.6404 107.6155 47.0658 0.0000 171.3542 97 N 4.8966 8.8399 114.7456 52.3835 42.6485 173.6408 98 G 4.0699 7.4183 110.1243 45.7526 0.0000 171.3208 99 Y 5.3738 8.6092 117.9710 56.1763 40.9301 174.9553 100 I 5.0659 8.6003 115.3481 58.8897 42.1244 174.7321 101 S 4.4790 8.7250 116.9167 57.8298 63.9248 175.0172 102 A 3.9366 8.8634 124.4976 55.5008 18.0071 180.0116 103 A 3.9334 7.9612 118.6082 55.3803 18.5225 179.4697 104 E 3.9781 7.8525 116.4223 59.3665 29.5083 179.4307 105 L 3.9964 7.9704 120.3142 58.3069 42.2813 178.9682 106 R 3.7374 8.2076 119.0294 59.5715 29.8624 178.0118 107 H 4.2697 8.0148 119.4092 58.5213 29.8486 177.2152 108 V 2.6931 7.2158 120.3967 66.1812 29.6700 177.9930 109 M 3.9674 7.8408 118.3405 58.2522 31.6182 178.6397 110 T 4.1666 7.4651 109.3572 64.0530 69.1766 176.4750 111 N 4.3065 7.8863 120.1829 56.0748 38.8491 176.3546 112 L 4.1445 7.2696 117.4325 55.3148 41.5618 177.7690 113 G 3.8701 7.7409 107.0451 45.9303 0.0000 173.7348 114 E 4.1429 7.4068 118.6282 55.9682 30.5100 178.0489 115 K 4.4228 8.3329 123.3922 55.1983 31.4307 176.0948 116 L 4.6119 7.3153 120.2604 53.5736 44.3187 176.4485 117 T 4.3061 8.1400 115.8811 61.1789 71.2327 175.4613 118 D 4.3595 8.5637 121.7750 57.6168 40.8259 179.0601 119 E 3.9431 8.0940 118.3816 59.5567 29.6311 178.8004 120 E 3.9541 7.7444 117.1717 59.6234 29.5082 179.7359 121 V 3.6867 8.0130 117.9821 66.2450 31.5561 177.7640 122 D 4.4473 8.4654 118.9751 57.4962 40.5566 178.7395 123 E 4.0190 8.8530 119.4081 59.7575 29.2624 179.3686 124 M 4.1538 8.3843 118.0802 58.1582 32.2479 178.6449 125 I 4.2572 8.3362 120.8030 64.4641 37.1526 178.5335 126 R 4.0006 8.2513 118.3149 59.3171 29.9638 178.6449 127 E 4.1006 7.9799 116.6406 57.4089 29.8404 177.0758 128 A 4.3750 6.9321 121.0731 50.7719 20.0474 176.3998 129 D 4.7008 8.4598 120.2410 52.5563 39.5375 175.1817 130 I 4.3729 7.4685 124.6290 62.0523 40.6675 174.2029 131 D 4.4865 8.0634 128.4701 56.0705 41.1445 175.4609 132 G 3.6959 7.8091 122.1233 45.6650 0.0000 172.5316 133 D 4.5625 7.8540 117.0718 54.0236 45.0970 175.6793 134 G 4.4374 8.5717 111.8896 45.2589 0.0000 173.3380 135 Q 4.8538 7.7340 117.5776 53.4000 31.5996 174.9426 136 V 4.6816 8.3679 122.1997 60.9100 34.8973 174.4588 137 N 4.5960 8.9084 124.4145 51.3329 37.6505 175.3394 138 Y 3.9999 8.2047 124.1070 59.3532 37.7406 177.7863 139 E 3.8454 6.8752 121.2421 59.3388 29.7058 178.3414 140 E 3.8424 7.5531 117.1333 59.4820 29.4410 179.4462 141 F 3.9072 8.0211 117.3303 60.1807 39.0345 177.8435 142 V 3.7383 7.7605 118.1642 66.0994 31.4063 178.1249 143 Q 4.1271 8.2091 119.4012 58.7651 28.5767 178.7971 144 M 4.0633 8.0183 119.7263 58.6261 31.7468 178.7747 145 M 4.2208 7.8314 117.9027 58.1834 32.1596 178.6911 146 T 4.0590 7.9732 110.0068 64.8113 68.9163 176.6787 147 A 3.9023 7.8239 125.1296 54.9803 18.4395 178.0688 *148 K 4.0717 7.7218 121.9814 54.8983 32.5748 178.0326 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 82 E 8.30 4.35 0.00 2.04 2.03 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 0.00 2.32 2.38 0.00 83 E 8.20 3.88 0.00 2.12 2.03 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 0.00 2.43 2.42 0.00 84 E 8.96 3.96 0.00 1.98 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 2.41 2.35 0.00 85 I 7.72 3.69 2.12 0.00 0.00 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.58 1.20 0.00 0.00 86 R 7.94 4.14 0.00 1.99 2.13 0.00 3.27 0.00 0.00 3.34 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 1.86 0.00 87 E 8.92 3.94 0.00 2.04 2.11 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 2.30 2.32 0.00 88 A 7.94 3.94 1.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 F 7.87 4.10 0.00 3.15 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 90 R 8.25 3.79 0.00 1.97 2.09 0.00 3.12 0.00 0.00 3.12 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.66 0.00 91 V 8.15 3.63 2.27 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 0.38 0.00 0.00 0.91 0.00 0.00 92 F 7.85 4.60 0.00 3.19 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 93 D 8.53 4.69 0.00 2.66 2.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 94 K 8.61 3.96 0.00 1.73 1.84 0.00 1.82 0.00 0.00 1.70 0.00 0.00 2.85 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.44 1.47 7.81 95 D 8.18 4.64 0.00 2.80 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 96 G 7.64 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 0.00 0.00 0.00 97 N 8.84 4.90 0.00 2.69 2.81 0.00 0.00 7.09 8.03 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 98 G 7.42 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 0.00 0.00 0.00 0.00 99 Y 8.61 5.37 0.00 2.87 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 0.00 100 I 8.60 5.07 2.11 0.00 0.00 1.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.95 1.11 0.00 0.00 101 S 8.73 4.48 0.00 4.07 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 0.00 102 A 8.86 3.94 1.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 A 7.96 3.93 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 0.00 104 E 7.85 3.98 0.00 2.40 2.25 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 2.54 2.69 0.00 105 L 7.97 4.00 0.00 1.77 1.72 0.68 -0.37 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 0.00 106 R 8.21 3.74 0.00 1.79 1.98 0.00 3.12 0.00 0.00 3.07 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.60 0.00 107 H 8.01 4.27 0.00 3.34 3.15 0.00 5.90 0.00 0.00 0.00 0.00 6.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 108 V 7.22 2.69 1.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 -0.37 0.00 0.00 109 M 7.84 3.97 0.00 2.07 2.15 0.00 0.00 0.00 0.00 0.00 2.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.81 2.68 0.00 110 T 7.47 4.17 4.14 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 1.17 0.00 0.00 111 N 7.89 4.31 0.00 2.71 2.71 0.00 0.00 7.11 6.78 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 0.00 112 L 7.27 4.14 0.00 1.52 1.64 0.70 1.25 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 0.00 113 G 7.74 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 0.00 0.00 0.00 114 E 7.41 4.14 0.00 2.24 1.89 0.00 0.00 0.00 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 2.25 0.00 115 K 8.33 4.42 0.00 1.73 1.77 0.00 1.74 0.00 0.00 1.62 0.00 0.00 2.92 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.36 1.34 7.81 116 L 7.32 4.61 0.00 1.60 1.56 0.99 1.11 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 0.00 117 T 8.14 4.31 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 1.22 0.00 0.00 118 D 8.56 4.36 0.00 2.71 2.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 119 E 8.09 3.94 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 2.41 2.47 0.00 120 E 7.74 3.95 0.00 2.20 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 0.00 2.35 2.50 0.00 121 V 8.01 3.69 2.29 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 1.06 0.00 0.00 1.03 0.00 0.00 122 D 8.47 4.45 0.00 2.89 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 0.00 123 E 8.85 4.02 0.00 2.14 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 2.37 0.00 124 M 8.38 4.15 0.00 2.06 2.57 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 2.87 2.60 0.00 125 I 8.34 4.26 2.12 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 1.58 1.40 0.98 0.00 0.00 126 R 8.25 4.00 0.00 1.77 2.01 0.00 3.18 0.00 0.00 3.24 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.80 0.00 127 E 7.98 4.10 0.00 1.86 1.95 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 2.32 2.31 0.00 128 A 6.93 4.37 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 0.00 129 D 8.46 4.70 0.00 2.96 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 0.00 130 I 7.47 4.37 1.94 0.00 0.00 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.95 0.95 0.00 0.00 131 D 8.06 4.49 0.00 2.64 2.62 0.00 0.00 0.00 0.00 0.00 0.00 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 7.81 3.70 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 133 D 7.85 4.56 0.00 2.64 2.66 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 0.00 0.00 0.00 0.00 134 G 8.57 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 0.00 0.00 0.00 0.00 135 Q 7.73 4.85 0.00 1.95 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.77 6.72 0.00 0.00 0.00 0.00 0.00 2.30 2.33 0.00 136 V 8.37 4.68 2.16 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 1.21 0.00 0.00 1.01 0.00 0.00 137 N 8.91 4.60 0.00 2.26 1.93 0.00 0.00 6.33 7.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 138 Y 8.20 4.00 0.00 2.10 3.05 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 0.00 139 E 6.88 3.85 0.00 1.50 1.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.27 2.31 0.00 140 E 7.55 3.84 0.00 2.02 1.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.23 2.29 0.00 141 F 8.02 3.91 0.00 2.93 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 0.00 142 V 7.76 3.74 2.27 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 1.13 0.00 0.00 1.00 0.00 0.00 143 Q 8.21 4.13 0.00 2.21 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.54 0.00 0.00 0.00 0.00 0.00 2.36 2.41 0.00 144 M 8.02 4.06 0.00 1.99 1.97 0.00 0.00 0.00 0.00 0.00 1.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.48 2.48 0.00 145 M 7.83 4.22 0.00 2.06 2.24 0.00 0.00 0.00 0.00 0.00 2.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 3.04 2.67 0.00 146 T 7.97 4.06 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 1.30 0.00 0.00 147 A 7.82 3.90 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 *148 K 7.72 4.07 0.00 1.65 1.65 0.00 1.60 0.00 0.00 1.84 0.00 0.00 3.11 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.29 1.50 7.81 * Residues marked with a * may have inaccurate shift predictions.