NUM RES   HA     H       N        CA      CB       C
 --- --- ------ ------ -------- ------- ------- --------
  1     S  4.4250 8.3349 115.2935 57.6063 63.5462 173.6270
  2     L  4.0517 8.4018 127.4817 53.5240 42.1783 176.0547
  3     F  4.5186 9.4039 124.6010 58.6275 40.8435 175.4453
  4     N  4.3805 7.7341 124.6260 52.1062 36.8260 174.1049
  5     T  3.8004 7.5027 115.7513 61.7839 68.5382 174.2581
  6     V  4.1646 8.2113 118.5332 62.5252 34.6070 176.4582
  7     A  4.2603 7.9887 121.0181 51.9516 18.9846 176.3660
  8     T  4.6967 7.9659 110.2793 59.1536 71.7105 174.3896
  9     L  4.1553 8.4190 120.6812 55.3233 41.5863 177.3783

  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 4.43 0.00 3.86 3.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 
  2     L  8.40 4.05 0.00 1.78 1.64 0.94 0.60 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  9.40 4.52 0.00 2.86 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  7.73 4.38 0.00 2.40 2.49 0.00 0.00 6.92 7.54 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  7.50 3.80 4.35 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 1.19 0.00 0.00 
  6     V  8.21 4.16 2.05 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 0.69 0.00 0.00 0.92 0.00 0.00 
  7     A  7.99 4.26 1.29 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     T  7.97 4.70 4.25 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 1.22 0.00 0.00 
  9     L  8.42 4.16 0.00 1.66 1.64 0.93 0.83 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