NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 5 Q 4.3678 8.3449 118.8341 55.7540 30.4738 176.0331 6 C 4.9035 7.9894 114.4346 56.4699 42.0923 173.4191 7 C 4.0796 8.0570 116.8745 61.7302 28.9290 174.0214 8 T 4.5549 7.3744 107.5566 60.4560 68.3867 173.5581 9 S 4.4649 7.1973 114.0661 58.2011 64.7696 175.6080 10 I 4.1632 8.3401 123.1493 60.7333 36.5659 176.9074 11 C 4.6761 8.5366 123.7396 56.3926 40.1238 174.7964 12 S 4.5275 10.0409 119.5794 58.2460 64.6820 175.7453 13 L 4.0257 8.4924 123.0542 57.7950 41.1696 179.0379 14 Y 4.0553 8.1008 118.6561 61.0037 39.0285 177.9361 15 Q 4.1689 8.3818 118.9309 59.0147 28.8406 178.7702 16 L 4.2669 8.4203 120.1574 57.4154 41.6462 178.8216 17 E 4.0139 7.9580 119.2810 58.6374 29.2032 178.2962 18 N 4.4066 8.0087 115.5525 56.2639 38.6472 175.5705 19 Y 4.2622 8.1474 116.7083 59.5632 38.4727 175.8923 20 C 4.4063 7.4810 116.9316 59.5101 28.8644 173.4671 21 N 4.5382 8.5544 117.9450 53.7673 38.2154 175.3634 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 5 Q 8.34 4.37 0.00 2.21 2.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.82 0.00 0.00 0.00 0.00 0.00 2.29 2.36 0.00 6 C 7.99 4.90 0.00 3.08 3.16 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 7 C 8.06 4.08 0.00 2.98 2.99 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 0.00 0.00 0.00 8 T 7.37 4.55 4.25 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 0.00 0.00 1.22 0.00 0.00 9 S 7.20 4.46 0.00 3.97 3.95 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 10 I 8.34 4.16 1.88 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.55 0.92 0.00 0.00 11 C 8.54 4.68 0.00 3.00 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 12 S 10.04 4.53 0.00 4.00 4.04 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 0.00 0.00 0.00 13 L 8.49 4.03 0.00 1.78 1.80 0.94 0.72 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 14 Y 8.10 4.06 0.00 2.92 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 15 Q 8.38 4.17 0.00 2.40 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.42 6.57 0.00 0.00 0.00 0.00 0.00 2.44 2.50 0.00 16 L 8.42 4.27 0.00 1.69 1.73 0.92 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 17 E 7.96 4.01 0.00 2.09 1.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.20 2.31 0.00 18 N 8.01 4.41 0.00 2.88 2.74 0.00 0.00 6.99 7.59 0.00 0.00 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 Y 8.15 4.26 0.00 2.99 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 20 C 7.48 4.41 0.00 3.07 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 21 N 8.55 4.54 0.00 2.72 2.73 0.00 0.00 6.80 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00