NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 H 4.6431 8.3033 116.4625 55.5334 30.7428 171.2195 2 F 5.2552 8.6276 116.9571 55.3651 41.6111 170.2439 3 V 4.4125 9.1677 116.8335 59.6987 34.3582 174.3646 4 Q 4.5943 8.6339 126.2485 54.5869 30.5474 174.6580 5 Q 4.2464 8.9435 126.6804 57.7162 29.3883 176.2901 6 T 4.7751 7.4150 106.2060 58.7788 72.0033 172.8216 7 P 4.2143 0.0000 0.0000 65.0001 31.3493 177.5219 8 K 4.4408 7.7851 114.2292 56.0717 33.1767 176.6110 9 S 4.3811 7.4833 115.5014 57.8878 63.4310 174.0923 10 Q 4.1098 8.3751 122.7755 55.0701 29.1212 174.6006 11 P 4.5984 0.0000 0.0000 63.2191 32.2429 175.6565 12 T 4.7554 9.0479 120.9416 61.8557 70.8333 174.8501 13 L 4.8842 8.5124 124.8748 55.1705 40.4736 176.3856 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 1 H 8.30 4.64 0.00 3.16 3.43 0.00 5.37 0.00 0.00 0.00 0.00 6.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2 F 8.63 5.26 0.00 3.05 2.94 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 3 V 9.17 4.41 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 0.72 0.00 0.00 1.03 0.00 0.00 4 Q 8.63 4.59 0.00 2.01 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.86 7.10 0.00 0.00 0.00 0.00 0.00 2.37 2.41 0.00 5 Q 8.94 4.25 0.00 2.09 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.21 6.59 0.00 0.00 0.00 0.00 0.00 2.36 2.35 0.00 6 T 7.42 4.78 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 1.21 0.00 0.00 7 P 0.00 4.21 0.00 2.05 2.16 0.00 3.64 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.11 0.00 8 K 7.79 4.44 0.00 1.69 1.81 0.00 1.62 0.00 0.00 1.70 0.00 0.00 3.07 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.34 1.47 7.81 9 S 7.48 4.38 0.00 3.85 3.79 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 0.00 0.00 0.00 0.00 10 Q 8.38 4.11 0.00 2.03 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.93 0.00 0.00 0.00 0.00 0.00 2.33 2.36 0.00 11 P 0.00 4.60 0.00 1.47 1.75 0.00 3.51 0.00 0.00 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.95 0.00 12 T 9.05 4.76 4.30 0.00 0.00 0.00 0.00 0.00 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 13 L 8.51 4.88 0.00 1.20 1.66 0.61 0.68 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