NUM RES   HA     H       N        CA      CB       C
 --- --- ------ ------ -------- ------- ------- --------
  1     L  4.1769 8.1801 122.4874 54.6249 43.7930 175.9686
  2     A  4.2076 7.4354 117.0446 50.2631 21.8345 173.5668
  3     I  3.7140 9.0328 120.4565 62.6952 39.2366 173.4050
  4     Y  4.7448 8.1577 129.7966 57.6498 36.3823 175.6145
  5     S  4.4167 9.1807 125.3127 59.2794 62.5631 172.9834

  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 4.18 0.00 1.60 1.72 0.91 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 0.00 0.00 0.00 0.00 0.00 0.00 
  2     A  7.44 4.21 1.17 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     I  9.03 3.71 1.82 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.45 0.95 0.00 0.00 
  4     Y  8.16 4.74 0.00 2.95 2.12 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     S  9.18 4.42 0.00 3.87 3.77 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