NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 I 4.0406 8.0244 114.2687 61.3333 39.0773 175.5051 2 C 4.3360 8.2195 118.0492 55.6705 45.8828 171.7771 3 C 4.8555 8.7938 132.1942 54.4100 38.3697 171.4007 4 N 5.1010 7.6531 119.8034 51.5372 42.3447 173.1699 5 P 3.8692 0.0000 0.0000 65.3768 31.8074 178.0520 6 A 4.1736 7.8179 119.8547 53.9404 18.6412 178.8832 7 C 4.4863 8.1096 114.4709 57.6025 41.4360 178.4228 8 G 3.8663 8.6210 107.2958 46.1482 0.0000 172.7724 9 P 4.4992 0.0000 0.0000 63.2761 31.8450 177.0017 10 K 4.3809 8.5195 119.6684 56.2105 33.1764 175.1260 11 Y 4.5751 7.8600 119.9997 58.8892 39.2065 176.1561 12 S 4.3180 9.0686 122.8820 56.2385 62.8534 172.9374 13 C 4.2741 6.9295 123.3300 56.3993 44.4608 173.3257 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 I 8.02 4.04 2.04 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 1.12 0.91 0.00 0.00 2 C 8.22 4.34 0.00 2.96 3.14 0.00 0.00 0.00 0.00 0.00 0.00 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 C 8.79 4.86 0.00 3.00 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 4 N 7.65 5.10 0.00 2.76 2.59 0.00 0.00 6.83 7.71 0.00 0.00 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 P 0.00 3.87 0.00 2.14 2.08 0.00 3.70 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 1.86 0.00 6 A 7.82 4.17 1.29 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 0.00 0.00 0.00 0.00 0.00 7 C 8.11 4.49 0.00 3.23 3.28 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 8 G 8.62 3.87 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 0.00 0.00 0.00 9 P 0.00 4.50 0.00 2.21 2.19 0.00 3.88 0.00 0.00 3.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 1.96 0.00 10 K 8.52 4.38 0.00 1.68 1.93 0.00 1.83 0.00 0.00 1.66 0.00 0.00 2.94 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.36 1.35 7.81 11 Y 7.86 4.58 0.00 2.90 3.01 0.00 0.00 0.00 0.00 0.00 0.00 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 9.07 4.32 0.00 3.71 3.56 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 0.00 0.00 0.00 0.00 13 C 6.93 4.27 0.00 2.86 2.79 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