NUM RES   HA     H       N        CA      CB       C
 --- --- ------ ------ -------- ------- ------- --------
  1     S  4.4207 8.3349 115.2928 57.7009 63.5156 173.6517
  2     L  4.0788 8.3679 127.5092 53.6362 42.2127 175.0623
  3     Y  4.5887 9.1109 122.9280 57.9933 40.4559 175.6235
  4     N  4.3529 8.5284 121.8346 55.8784 39.1521 175.5468
  5     T  4.1730 6.1416 112.9759 61.5031 70.1267 174.3406
  6     V  4.1733 8.0186 125.2271 60.7775 32.7666 174.8291
  7     A  4.3022 8.4680 130.8451 51.8248 19.2712 176.6590
  8     T  4.4004 8.1038 111.4533 60.2906 70.4338 174.9803
  9     L  4.1576 8.3765 121.8384 55.3243 41.5991 177.1407

  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  8.37 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 1.60 0.00 0.00 0.00 0.00 0.00 0.00 
  3     Y  9.11 4.59 0.00 2.83 2.85 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  8.53 4.35 0.00 2.65 2.65 0.00 0.00 6.88 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  6.14 4.17 3.93 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     V  8.02 4.17 2.06 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 0.85 0.00 0.00 0.87 0.00 0.00 
  7     A  8.47 4.30 1.27 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 0.00 0.00 0.00 
  8     T  8.10 4.40 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 1.21 0.00 0.00 
  9     L  8.38 4.16 0.00 1.66 1.64 0.93 0.84 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