NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 A 4.3150 8.2649 123.5821 51.7225 20.0079 176.7195 3 K 3.9961 8.5693 118.3980 55.8734 32.0765 176.8851 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 A 8.26 4.31 1.27 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 3 K 8.57 4.00 0.00 1.84 1.73 0.00 1.78 0.00 0.00 1.73 0.00 0.00 2.97 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.44 1.50 7.81