NUM RES   HA     H       N        CA      CB       C
 --- --- ------ ------ -------- ------- ------- --------
  1     I  4.1173 8.0249 114.2708 60.6310 38.8563 175.3034
  2     M  4.0767 8.3302 122.6275 54.0823 32.5617 174.0787
  3     D  4.5787 9.0101 121.5286 53.6789 43.1325 174.9836
  4     Q  4.3348 8.1969 121.2001 54.3444 29.8703 176.1371
  5     V  3.6044 8.3544 118.2126 61.8281 31.2121 174.4781
  6     P  4.4682 0.0000   0.0000 62.1889 32.0004 175.6924
  7     F  4.3740 8.5886 122.5769 57.5732 40.0822 175.4630
  8     S  4.1232 7.8672 123.3854 58.6750 63.2699 174.8733
  9     V  3.8295 8.2581 115.6802 61.8690 31.2333 176.1821

  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     I  8.02 4.12 1.87 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 1.13 0.91 0.00 0.00 
  2     M  8.33 4.08 0.00 2.12 2.05 0.00 0.00 0.00 0.00 0.00 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.61 2.59 0.00 
  3     D  9.01 4.58 0.00 2.64 2.60 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     Q  8.20 4.33 0.00 2.10 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.10 6.62 0.00 0.00 0.00 0.00 0.00 2.37 2.30 0.00 
  5     V  8.35 3.60 2.10 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 0.77 0.00 0.00 0.94 0.00 0.00 
  6     P  0.00 4.47 0.00 2.23 2.12 0.00 3.77 0.00 0.00 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 1.96 0.00 
  7     F  8.59 4.37 0.00 2.96 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 
  8     S  7.87 4.12 0.00 3.55 3.64 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 
  9     V  8.26 3.83 2.07 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 0.67 0.00 0.00 0.92 0.00 0.00