NUM RES   HA     H       N        CA      CB       C
 --- --- ------ ------ -------- ------- ------- --------
  1     S  4.3492 8.3344 115.2886 57.0539 62.6465 171.7099
  2     I  3.2975 7.8950 122.1829 59.6436 38.4956 173.6779
  3     I  3.7364 7.8576 127.5078 60.7945 39.4847 173.7401
  4     N  4.6543 7.9733 120.5973 50.6510 38.5066 174.8517
  5     F  4.3654 8.4712 122.3570 57.0844 39.7217 174.5974
  6     E  4.3237 8.6890 126.1851 55.1126 30.4057 176.3603
  7     K  4.2005 8.4100 124.8442 56.3333 32.9117 177.0605
  8     L  4.1936 8.3656 120.6001 55.2101 41.5971 177.0745

  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 4.35 0.00 3.83 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     I  7.90 3.30 1.91 0.00 0.00 1.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 1.08 0.92 0.00 0.00 
  3     I  7.86 3.74 1.69 0.00 0.00 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 0.74 0.43 0.00 0.00 
  4     N  7.97 4.65 0.00 2.81 2.72 0.00 0.00 6.07 7.43 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     F  8.47 4.37 0.00 3.09 3.02 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 
  6     E  8.69 4.32 0.00 1.94 1.89 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 2.29 2.41 0.00 
  7     K  8.41 4.20 0.00 1.80 1.75 0.00 1.81 0.00 0.00 1.72 0.00 0.00 3.00 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.46 1.49 7.81 
  8     L  8.37 4.19 0.00 1.63 1.58 0.90 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00