NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 299 K 4.3285 8.3149 122.1404 53.8656 34.6615 175.8468 300 R 4.6424 7.5827 115.6338 52.8140 30.2786 173.6242 301 S 4.6289 8.1564 111.1144 56.8427 66.9531 174.8558 302 K 4.1022 8.6545 120.3276 57.0556 31.7320 176.9653 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 299 K 8.31 4.33 0.00 1.79 1.80 0.00 1.72 0.00 0.00 1.70 0.00 0.00 2.88 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.26 1.04 7.81 300 R 7.58 4.64 0.00 1.83 1.89 0.00 3.21 0.00 0.00 3.25 7.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.68 0.00 301 S 8.16 4.63 0.00 3.93 3.78 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 0.00 0.00 0.00 302 K 8.65 4.10 0.00 1.77 1.78 0.00 1.78 0.00 0.00 1.74 0.00 0.00 2.82 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.45 1.44 7.81