NUM RES   HA     H       N        CA      CB       C
 --- --- ------ ------ -------- ------- ------- --------
  1     L  4.3281 8.1844 122.4941 54.9482 42.8886 175.6752
  2     S  4.5884 8.4917 119.8724 55.6210 65.5853 171.8658
  3     F  4.9256 8.7529 127.4847 56.5877 43.3132 173.1655
  4     S  4.2702 7.1416 119.7115 56.3829 65.3886 172.9612
  5     K  4.3937 7.8734 125.8591 54.7901 35.1686 175.6786
  6     D  4.4876 8.6206 124.0406 54.6043 40.9076 176.3042

  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     L  8.18 4.33 0.00 1.64 1.69 0.96 0.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 
  2     S  8.49 4.59 0.00 3.90 3.67 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     F  8.75 4.93 0.00 2.95 2.86 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 
  4     S  7.14 4.27 0.00 3.62 3.41 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     K  7.87 4.39 0.00 1.57 1.60 0.00 1.95 0.00 0.00 1.78 0.00 0.00 2.81 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.30 1.44 7.81 
  6     D  8.62 4.49 0.00 2.67 2.53 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