NUM RES   HA     H       N        CA      CB       C
 --- --- ------ ------ -------- ------- ------- --------
  1     L  4.3706 8.1693 122.4939 54.9568 43.2257 175.8915
  2     S  4.5955 8.4195 119.4175 55.8667 65.9905 172.2663
  3     F  4.9005 8.5008 124.1488 56.4682 43.2185 175.1153
  4     S  4.3151 7.2946 119.9283 56.3359 65.8994 173.1230
  5     K  4.3963 7.8996 121.7763 54.7821 35.2068 175.7776
  6     D  4.4918 8.6021 123.5229 54.5833 40.9213 176.3873

  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  8.17 4.37 0.00 1.64 1.67 0.93 0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 
  2     S  8.42 4.60 0.00 4.06 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 
  3     F  8.50 4.90 0.00 2.95 2.92 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  7.29 4.32 0.00 3.77 3.58 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  7.90 4.40 0.00 1.59 1.67 0.00 1.90 0.00 0.00 1.78 0.00 0.00 2.82 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.30 1.43 7.81 
  6     D  8.60 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