NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 6 Q 4.2493 8.3449 121.7112 55.6931 29.2698 174.3358 7 I 3.8841 8.1465 127.3318 57.8583 37.8972 174.1782 8 P 4.3979 0.0000 0.0000 61.7796 32.7226 173.6631 9 P 4.2104 0.0000 0.0000 64.5660 31.8755 177.0361 10 G 4.0792 8.9590 110.7763 45.4657 0.0000 175.2633 11 L 3.9409 7.7841 121.8037 58.4380 42.0460 178.9757 12 T 3.9481 7.8734 109.5566 64.8410 68.6410 176.1660 13 E 4.1613 8.1948 120.1313 58.7140 29.5042 178.7366 14 L 4.1505 7.9611 121.3587 58.2642 42.1469 179.0195 15 L 4.2567 8.1834 118.9059 57.9079 41.4473 179.5393 16 Q 4.1245 8.5486 118.4407 58.8445 28.7435 178.9704 17 G 3.6752 8.3037 106.8757 47.9023 0.0000 175.1966 18 Y 2.7767 7.7405 121.9442 60.3497 38.8146 178.1200 19 T 3.6313 8.1703 117.1953 66.4502 68.4328 176.9793 20 V 3.5928 7.9212 121.2600 64.9224 31.1778 178.3091 21 E 3.9691 7.6259 118.2236 58.6945 29.3608 179.1720 22 V 3.0238 7.3756 118.3680 65.9192 31.3040 178.0972 23 L 3.8782 7.4503 117.1210 57.5980 41.4704 179.4023 24 R 3.9458 7.4043 117.3509 59.5976 30.3047 178.2383 25 Q 3.9680 8.1253 115.6337 55.8679 30.1240 175.9532 26 Q 3.1423 7.6955 118.5837 55.9168 26.2596 172.3848 27 P 4.2773 0.0000 0.0000 61.9849 32.3880 176.4931 28 P 4.3202 0.0000 0.0000 64.8294 31.9379 175.9055 29 D 4.6951 7.6578 115.6253 51.5044 43.7531 175.7229 30 L 4.2178 8.7701 127.3734 57.7977 41.7254 179.5979 31 V 3.6500 7.8270 117.7055 66.2075 31.6076 177.3757 32 D 4.4737 8.7963 119.0303 57.7353 40.5907 178.9607 33 F 4.5738 8.7061 121.9110 60.5288 39.3169 176.9784 34 A 4.1855 8.4972 120.6466 55.1798 18.2592 179.5343 35 V 3.5937 7.8581 116.6152 66.3251 31.4842 177.8870 36 E 3.8798 8.3123 118.0878 59.6019 29.3164 178.6751 37 Y 3.7283 8.3146 120.2898 60.8352 38.8037 178.3911 38 F 4.1306 8.1263 118.4724 60.4706 38.9281 178.0325 39 T 3.8764 7.9124 115.7201 66.6323 68.1723 176.9468 40 R 3.8280 7.8755 119.9791 59.0682 30.0106 178.7861 41 L 3.6978 7.6534 120.2359 58.0623 41.9897 179.0707 42 R 3.8555 7.9469 118.6090 59.4659 29.9818 178.3323 43 E 3.9413 8.2037 118.2284 59.2476 29.3254 179.2426 44 A 3.9240 8.1926 121.0259 55.0492 18.4563 179.5177 45 R 3.8007 8.0897 117.3131 59.6444 29.9068 178.7516 46 R 3.9627 7.9040 116.4985 59.2893 30.2786 178.6145 47 G 4.0808 8.1369 105.4924 48.3478 0.0000 175.6615 48 L 4.0655 7.9926 120.4868 56.8628 41.6801 178.8648 49 E 4.2797 8.1130 119.3856 58.3426 29.6985 176.9486 *50 H 4.5091 7.7590 120.5474 54.4445 28.2853 180.1537 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 6 Q 8.34 4.25 0.00 2.01 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.89 0.00 0.00 0.00 0.00 0.00 2.24 2.45 0.00 7 I 8.15 3.88 1.88 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 1.47 0.28 0.92 0.00 0.00 8 P 0.00 4.40 0.00 2.21 2.17 0.00 3.71 0.00 0.00 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 1.98 0.00 9 P 0.00 4.21 0.00 2.06 2.06 0.00 3.69 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 2.03 2.10 0.00 10 G 8.96 4.08 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 11 L 7.78 3.94 0.00 1.67 1.76 0.90 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 12 T 7.87 3.95 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 1.23 0.00 0.00 13 E 8.19 4.16 0.00 2.23 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 0.00 2.40 2.34 0.00 14 L 7.96 4.15 0.00 2.14 1.94 1.06 0.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 0.00 0.00 0.00 0.00 0.00 0.00 15 L 8.18 4.26 0.00 1.95 1.83 0.96 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 0.00 0.00 0.00 0.00 0.00 0.00 16 Q 8.55 4.12 0.00 2.28 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.80 0.00 0.00 0.00 0.00 0.00 2.41 2.54 0.00 17 G 8.30 3.68 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 0.00 0.00 0.00 0.00 0.00 0.00 18 Y 7.74 2.78 0.00 2.49 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 19 T 8.17 3.63 4.38 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 1.17 0.00 0.00 20 V 7.92 3.59 2.06 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 0.86 0.00 0.00 0.91 0.00 0.00 21 E 7.63 3.97 0.00 2.16 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 0.00 2.52 2.70 0.00 22 V 7.38 3.02 1.87 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 0.84 0.00 0.00 0.27 0.00 0.00 23 L 7.45 3.88 0.00 1.59 1.64 0.87 0.66 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 24 R 7.40 3.95 0.00 1.71 1.87 0.00 3.23 0.00 0.00 3.21 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.62 0.00 25 Q 8.13 3.97 0.00 1.64 1.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.27 0.00 0.00 0.00 0.00 0.00 2.31 2.38 0.00 26 Q 7.70 3.14 0.00 2.02 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.47 6.88 0.00 0.00 0.00 0.00 0.00 2.23 2.18 0.00 27 P 0.00 4.28 0.00 2.11 1.69 0.00 3.45 0.00 0.00 3.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 1.02 0.00 28 P 0.00 4.32 0.00 2.20 2.21 0.00 3.69 0.00 0.00 3.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 1.95 0.00 29 D 7.66 4.70 0.00 2.71 2.57 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 0.00 0.00 0.00 0.00 30 L 8.77 4.22 0.00 1.87 1.88 0.92 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 31 V 7.83 3.65 2.28 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 1.11 0.00 0.00 0.99 0.00 0.00 32 D 8.80 4.47 0.00 2.97 2.82 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 0.00 0.00 0.00 33 F 8.71 4.57 0.00 3.26 3.37 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 34 A 8.50 4.19 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 0.00 0.00 0.00 0.00 0.00 0.00 35 V 7.86 3.59 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 1.05 0.00 0.00 1.02 0.00 0.00 36 E 8.31 3.88 0.00 2.17 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 2.37 2.46 0.00 37 Y 8.31 3.73 0.00 1.80 2.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 38 F 8.13 4.13 0.00 3.19 3.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 39 T 7.91 3.88 4.35 0.00 0.00 0.00 0.00 0.00 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 40 R 7.88 3.83 0.00 1.93 1.79 0.00 3.09 0.00 0.00 3.08 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.58 0.00 41 L 7.65 3.70 0.00 1.20 1.63 0.83 0.94 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 42 R 7.95 3.86 0.00 2.05 2.08 0.00 3.14 0.00 0.00 3.15 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.66 0.00 43 E 8.20 3.94 0.00 2.18 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 2.31 2.54 0.00 44 A 8.19 3.92 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 45 R 8.09 3.80 0.00 1.88 2.11 0.00 3.11 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 1.62 1.68 0.00 46 R 7.90 3.96 0.00 1.99 1.98 0.00 3.24 0.00 0.00 3.22 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.74 0.00 47 G 8.14 4.08 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 48 L 7.99 4.07 0.00 1.79 1.75 0.92 1.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 49 E 8.11 4.28 0.00 2.07 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 2.33 2.56 0.00 *50 H 7.76 4.51 0.00 2.87 2.82 0.00 7.23 0.00 0.00 0.00 0.00 6.91 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.