NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 I 3.8674 8.0201 121.4132 60.5517 38.3429 174.9544 3 A 3.5087 8.4480 128.8536 52.1737 18.5564 176.2890 4 F 4.7842 8.4764 119.9939 57.8730 40.2088 174.3097 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 2 I 8.02 3.87 1.48 0.00 0.00 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 1.02 0.92 0.00 0.00 3 A 8.45 3.51 1.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 F 8.48 4.78 0.00 3.09 2.89 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 0.00 0.00 0.00