NUM RES   HA     H       N        CA      CB       C
 --- --- ------ ------ -------- ------- ------- --------
  1     S  4.4153 8.3349 115.2931 57.6467 63.5020 173.6471
  2     L  4.0737 8.3849 127.4722 53.6268 42.1916 175.9101
  3     F  4.7711 8.6543 122.7240 58.2828 41.1489 174.7955
  4     N  4.3180 8.6647 123.9805 56.0463 39.1296 175.3277
  5     T  4.2022 5.7900 112.9363 61.4608 70.2311 174.1181
  6     I  4.2868 7.8061 125.0036 58.3975 38.8843 174.4976
  7     A  4.1485 8.3724 129.9089 51.9058 18.9719 177.4072
  8     V  4.1335 7.9279 119.7951 60.3429 33.0943 176.3646
  9     L  4.1616 8.3223 119.9007 55.2848 41.4506 177.1653

  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     S  8.33 4.42 0.00 3.86 3.87 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 
  2     L  8.38 4.07 0.00 1.79 1.65 0.93 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 
  3     F  8.65 4.77 0.00 2.88 2.93 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     N  8.66 4.32 0.00 2.66 2.57 0.00 0.00 6.92 7.70 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     T  5.79 4.20 3.83 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 1.09 0.00 0.00 
  6     I  7.81 4.29 1.84 0.00 0.00 0.88 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 0.91 0.86 0.00 0.00 
  7     A  8.37 4.15 1.27 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 
  8     V  7.93 4.13 2.08 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 0.77 0.00 0.00 0.93 0.00 0.00 
  9     L  8.32 4.16 0.00 1.66 1.63 0.93 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00