NUM RES   HA     H       N        CA      CB       C
 --- --- ------ ------ -------- ------- ------- --------
  1     K  4.1896 8.3101 121.7915 56.2003 33.3685 175.2866
  2     A  4.2645 8.3406 128.6352 49.4351 19.6936 172.1040
  3     V  4.0881 7.9178 119.7999 61.3185 33.5341 173.7290
  4     Y  4.8520 7.9367 118.0535 55.0873 40.4661 175.1381
  5     N  4.5671 8.9389 121.4000 53.2527 39.3860 173.0953
  6     F  4.3740 8.3794 120.3505 57.7150 40.7465 175.1611
  7     A  4.3384 8.4771 121.5544 50.3078 20.7497 177.9720
  8     T  4.0488 8.3054 113.4966 62.2160 69.0726 174.0657
  9     M  4.1889 8.3986 119.6792 55.7339 32.1925 176.3313

  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     K  8.31 4.19 0.00 1.75 1.81 0.00 1.75 0.00 0.00 1.73 0.00 0.00 2.96 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.35 1.46 7.81 
  2     A  8.34 4.26 1.30 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 
  3     V  7.92 4.09 2.09 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 0.81 0.00 0.00 0.90 0.00 0.00 
  4     Y  7.94 4.85 0.00 2.93 2.93 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 0.00 
  5     N  8.94 4.57 0.00 2.80 2.85 0.00 0.00 6.91 7.45 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     F  8.38 4.37 0.00 2.83 2.80 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 
  7     A  8.48 4.34 1.32 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  8.31 4.05 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 1.19 0.00 0.00 
  9     M  8.40 4.19 0.00 2.03 2.01 0.00 0.00 0.00 0.00 0.00 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.56 2.53 0.00