NUM RES   HA     H       N        CA      CB       C
 --- --- ------ ------ -------- ------- ------- --------
  1     S  4.4202 8.3349 115.2923 57.6921 63.4911 173.6549
  2     L  4.0835 8.3744 127.5968 53.6751 42.2271 175.0283
  3     Y  4.5501 8.4880 122.0860 57.7634 40.5220 175.2523
  4     N  4.3701 9.1336 124.5920 56.3454 39.4433 175.2982
  5     T  4.2904 6.0753 112.2939 61.7826 70.5985 174.3129
  6     I  4.1654 7.6260 123.7635 59.8445 39.9710 174.4186
  7     A  4.2941 8.4400 131.2925 51.8380 19.2778 176.6337
  8     T  4.4173 7.9981 110.2425 60.1829 70.5562 175.0667
  9     L  4.1578 8.2878 120.9282 55.2462 41.6228 177.2872

  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 3.86 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  8.37 4.08 0.00 1.79 1.64 0.93 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 
  3     Y  8.49 4.55 0.00 2.83 2.82 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  9.13 4.37 0.00 2.75 2.71 0.00 0.00 6.95 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  6.08 4.29 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 1.08 0.00 0.00 
  6     I  7.63 4.17 1.79 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.66 0.85 0.00 0.00 
  7     A  8.44 4.29 1.25 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 0.00 0.00 0.00 
  8     T  8.00 4.42 4.24 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 1.20 0.00 0.00 
  9     L  8.29 4.16 0.00 1.66 1.63 0.92 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00