NUM RES   HA     H       N        CA      CB       C
 --- --- ------ ------ -------- ------- ------- --------
  1     S  4.3947 8.3349 115.2901 57.7623 63.5324 173.6335
  2     L  4.0955 8.2936 127.3146 53.6456 42.2758 175.4584
  3     L  4.1720 8.4164 120.7484 55.4971 43.2329 176.7134
  4     M  4.0700 8.7274 120.9516 56.5764 33.0064 176.2858
  5     W  4.7317 8.1624 117.6792 54.7626 30.9948 175.0694
  6     I  4.6069 8.3419 123.7609 59.6671 39.4667 175.0850
  7     T  4.4091 8.4581 122.0870 62.2932 69.4673 174.9457
  8     Q  4.1758 8.5486 125.0876 56.0894 29.5086 176.3355
  9     C  4.3089 8.5005 114.1536 58.6021 29.9507 173.4906

  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 4.39 0.00 3.85 3.84 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  8.29 4.10 0.00 1.74 1.57 0.90 0.72 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 
  3     L  8.42 4.17 0.00 1.65 1.65 0.95 0.92 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 
  4     M  8.73 4.07 0.00 2.05 2.05 0.00 0.00 0.00 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.20 1.65 0.00 
  5     W  8.16 4.73 0.00 3.25 3.13 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     I  8.34 4.61 1.90 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.89 0.94 0.00 0.00 
  7     T  8.46 4.41 4.27 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 1.24 0.00 0.00 
  8     Q  8.55 4.18 0.00 2.06 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 7.09 0.00 0.00 0.00 0.00 0.00 2.38 2.38 0.00 
  9     C  8.50 4.31 0.00 3.09 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