NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1H T 4.1998 8.0327 115.2419 61.5368 67.2461 173.2713 1G F 4.1796 8.3253 134.4234 60.0556 40.7665 178.4132 1F G 4.2409 7.9192 115.6205 44.9557 0.0000 176.7553 1E S 4.1255 8.8388 123.9381 58.4505 60.4978 172.2577 1D G 4.2771 8.4431 119.6784 44.1003 0.0000 171.1602 1C E 4.6720 7.5955 116.7623 54.8054 31.9968 175.6166 1B A 3.8680 8.8231 128.0491 52.5525 15.9848 178.9011 1A D 4.6950 7.6402 110.4400 53.5547 41.9777 176.0022 1 C 3.8923 7.7553 113.3538 60.5777 29.6500 175.1009 2 G 3.9041 8.7631 108.5977 45.7068 0.0000 173.1788 3 L 4.5335 7.4112 119.7536 52.8144 42.5593 176.3804 4 R 4.2890 8.8464 124.3614 54.9058 30.8856 175.9437 5 P 4.2262 0.0000 0.0000 65.7630 31.3564 177.3148 6 L 4.1709 7.8033 113.9934 55.0178 42.1958 176.5395 7 F 4.5541 7.9074 115.1353 57.7012 41.8084 176.7722 8 E 4.0212 9.1374 122.4024 60.0758 30.1950 179.9511 9 K 3.9659 8.1877 115.9032 58.7862 32.1596 177.7246 10 K 4.3745 7.9016 115.3794 55.0673 32.3645 175.6603 11 S 3.7268 7.6360 112.1287 59.2826 61.3380 171.8032 12 L 4.7951 7.9391 117.0492 52.7709 43.6175 176.2650 13 E 4.7976 8.5381 121.7438 54.7487 30.4662 175.8764 14 D 4.6700 8.8668 122.9136 52.3832 40.2931 177.3458 14A K 4.0346 8.4025 118.1154 58.8295 32.5724 177.5846 14B T 4.5964 7.6104 109.4418 60.6126 69.7870 175.4650 14C E 3.9695 8.2783 122.7068 59.2251 29.5134 178.7804 14D R 3.7969 7.9685 119.9454 59.3631 29.8393 177.4009 14E E 3.8331 7.5351 117.4622 59.4462 29.7573 178.7431 14F L 3.8230 7.6512 117.9608 57.8993 41.8347 179.4931 14G L 3.5844 7.5091 118.3180 57.5071 41.3557 179.4374 14H E 4.0121 8.5980 119.0893 58.7397 29.1268 178.6580 14I S 4.3581 7.3664 112.4608 59.2264 64.7847 174.4102 14J Y 4.6806 7.2657 123.4563 58.1833 36.2480 175.0369 14K I 3.2334 8.0829 108.3028 64.0260 37.4403 177.2741 14L D 4.1677 8.4342 115.4424 58.8471 41.6218 174.1041 14M G 3.7347 7.2735 111.0786 45.2274 0.0000 173.2869 15 R 4.1628 7.3844 121.6161 56.1062 29.0818 174.5053 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 1H T 8.03 4.20 4.21 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 1.22 0.00 0.00 1G F 8.33 4.18 0.00 3.03 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 1F G 7.92 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 0.00 0.00 0.00 0.00 1E S 8.84 4.13 0.00 3.86 3.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1D G 8.44 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 0.00 0.00 0.00 0.00 1C E 7.60 4.67 0.00 2.24 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 2.29 2.23 0.00 1B A 8.82 3.87 1.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1A D 7.64 4.70 0.00 2.61 2.65 0.00 0.00 0.00 0.00 0.00 0.00 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 C 7.76 3.89 0.00 3.12 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 2 G 8.76 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 0.00 0.00 0.00 3 L 7.41 4.53 0.00 1.62 1.63 0.93 1.26 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 4 R 8.85 4.29 0.00 2.20 2.05 0.00 3.20 0.00 0.00 3.15 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.70 0.00 5 P 0.00 4.23 0.00 2.03 2.13 0.00 3.71 0.00 0.00 3.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.14 0.00 6 L 7.80 4.17 0.00 1.38 1.19 0.87 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.00 0.00 0.00 0.00 0.00 0.00 7 F 7.91 4.55 0.00 3.06 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 8 E 9.14 4.02 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 2.44 2.46 0.00 9 K 8.19 3.97 0.00 1.95 1.89 0.00 1.73 0.00 0.00 1.71 0.00 0.00 3.26 0.00 0.00 3.24 0.00 0.00 0.00 0.00 1.57 1.52 7.81 10 K 7.90 4.37 0.00 1.65 1.75 0.00 1.97 0.00 0.00 1.64 0.00 0.00 2.87 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.30 1.35 7.81 11 S 7.64 3.73 0.00 3.96 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 12 L 7.94 4.80 0.00 1.59 1.59 0.79 0.95 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 13 E 8.54 4.80 0.00 2.00 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 2.27 2.32 0.00 14 D 8.87 4.67 0.00 2.48 1.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 14A K 8.40 4.03 0.00 1.89 2.00 0.00 1.52 0.00 0.00 1.75 0.00 0.00 3.02 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.40 1.40 7.81 14B T 7.61 4.60 4.19 0.00 0.00 0.00 0.00 0.00 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 0.00 0.00 14C E 8.28 3.97 0.00 2.20 2.40 0.00 0.00 0.00 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 2.27 0.00 14D R 7.97 3.80 0.00 1.91 1.93 0.00 3.23 0.00 0.00 3.24 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.74 0.00 14E E 7.54 3.83 0.00 1.96 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 0.00 2.26 2.32 0.00 14F L 7.65 3.82 0.00 1.67 1.49 0.93 0.61 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 14G L 7.51 3.58 0.00 1.60 1.67 1.10 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 14H E 8.60 4.01 0.00 1.97 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 2.28 2.33 0.00 14I S 7.37 4.36 0.00 4.00 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 14J Y 7.27 4.68 0.00 2.97 2.87 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 14K I 8.08 3.23 1.90 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.47 0.95 0.00 0.00 14L D 8.43 4.17 0.00 2.71 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 14M G 7.27 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 15 R 7.38 4.16 0.00 1.89 1.85 0.00 3.24 0.00 0.00 3.27 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.57 0.00