NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 H 4.6782 8.4449 120.3754 56.5046 29.7673 171.8556 2 R 3.3356 7.4097 123.4152 55.5640 33.8638 173.0269 3 Y 4.9025 8.1536 115.8436 57.5296 39.3404 175.7332 4 Y 4.2590 7.9718 117.8456 58.2450 38.6744 176.4700 5 E 4.8305 8.8541 116.2438 56.5174 30.0985 176.4434 6 S 4.5671 7.7680 109.6763 59.2559 65.7366 172.3272 7 S 4.6957 7.3649 111.5289 58.9102 64.6286 174.7515 8 L 4.8026 8.5956 122.6309 54.8693 44.1247 176.4218 9 E 4.4055 7.8906 118.7081 55.1197 30.1259 175.3096 10 P 4.8219 0.0000 0.0000 63.0019 31.2049 176.8046 11 W 4.5201 8.3606 129.8607 58.8622 32.7659 175.7349 12 Y 4.7826 8.2328 114.3713 59.1096 38.4569 175.0788 13 P 4.4202 0.0000 0.0000 65.3364 31.9871 175.6065 14 D 4.0649 7.8165 121.7225 54.7369 41.1382 175.1450 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 8.44 4.68 0.00 3.04 3.27 0.00 5.75 0.00 0.00 0.00 0.00 6.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2 R 7.41 3.34 0.00 1.88 1.87 0.00 3.30 0.00 0.00 3.03 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.10 1.63 0.00 3 Y 8.15 4.90 0.00 2.88 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 4 Y 7.97 4.26 0.00 2.95 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 5 E 8.85 4.83 0.00 2.12 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 2.38 0.00 6 S 7.77 4.57 0.00 3.83 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 7 S 7.36 4.70 0.00 3.98 3.83 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 0.00 0.00 0.00 8 L 8.60 4.80 0.00 1.68 1.68 1.01 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.17 0.00 0.00 0.00 0.00 0.00 0.00 9 E 7.89 4.41 0.00 1.86 1.78 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 0.00 2.24 2.14 0.00 10 P 0.00 4.82 0.00 2.23 2.23 0.00 3.80 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 2.11 2.02 0.00 11 W 8.36 4.52 0.00 3.31 2.97 0.00 0.00 0.00 0.00 0.00 0.00 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 Y 8.23 4.78 0.00 2.96 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 13 P 0.00 4.42 0.00 2.26 2.40 0.00 3.62 0.00 0.00 3.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 1.77 0.00 14 D 7.82 4.06 0.00 2.52 2.39 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 0.00