NUM RES   HA     H       N        CA      CB       C
 --- --- ------ ------ -------- ------- ------- --------
  1     S  4.4150 8.3349 115.2931 57.8971 63.4497 173.5542
  2     L  4.1786 8.3493 127.6991 53.0679 42.4211 175.8851
  3     F  4.4933 8.7931 123.1781 58.4214 41.2432 172.9647
  4     N  4.0499 7.5662 124.2721 55.2216 38.6784 176.7954
  5     T  3.9461 7.3715 108.3628 60.7054 67.7527 175.0289
  6     I  3.7724 7.0984 122.0306 61.3848 37.8671 174.9961
  7     A  4.0418 8.5968 130.6627 52.5874 18.7079 177.1926
  8     V  4.0974 8.0954 120.8596 61.8507 33.0606 175.7916
  9     L  4.3040 8.2439 123.5234 55.0960 42.0576 175.9443

  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  8.35 4.18 0.00 1.77 1.62 0.93 0.63 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  8.79 4.49 0.00 2.89 2.99 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  7.57 4.05 0.00 2.54 2.32 0.00 0.00 7.06 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  7.37 3.95 4.15 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 1.11 0.00 0.00 
  6     I  7.10 3.77 1.85 0.00 0.00 0.98 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 0.98 0.88 0.00 0.00 
  7     A  8.60 4.04 1.32 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  8.10 4.10 2.09 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 0.81 0.00 0.00 0.94 0.00 0.00 
  9     L  8.24 4.30 0.00 1.63 1.50 0.93 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00