NUM RES   HA     H       N        CA      CB       C
 --- --- ------ ------ -------- ------- ------- --------
  2     I  4.2493 8.0201 121.4506 61.4181 39.6043 173.2648
  3     A  4.5721 7.9836 126.7369 51.1085 17.9856 174.8007
  4     R  4.4055 8.1069 118.0427 55.1737 35.8735 172.6562
  5     S  4.2698 8.1026 117.9849 58.6640 63.0787 169.7269

  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 4.25 1.87 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 1.06 0.91 0.00 0.00 
  3     A  7.98 4.57 0.96 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     R  8.11 4.41 0.00 1.70 1.71 0.00 3.35 0.00 0.00 3.15 7.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.67 0.00 
  5     S  8.10 4.27 0.00 4.06 3.89 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