NUM RES   HA     H       N        CA      CB       C
 --- --- ------ ------ -------- ------- ------- --------
  1     K  4.1968 8.3101 121.7910 56.1816 33.3870 175.1141
  2     A  4.2944 8.3625 128.7447 49.0854 19.7599 172.2987
  3     V  3.8401 8.4184 120.5908 61.6784 33.0341 173.6490
  4     F  4.8060 8.5292 123.3179 56.3466 41.2307 175.1047
  5     N  4.7433 7.9115 124.9943 53.1833 40.4961 177.0381
  6     F  4.7795 8.0700 120.4841 57.5015 38.2327 179.1840
  7     A  3.9082 9.2941 119.1836 52.1718 18.2578 178.1940
  8     T  4.0738 8.1638 112.3223 61.2601 69.6742 174.3415
  9     M  4.1952 8.4906 120.3480 55.9509 31.9227 176.6420

  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 4.20 0.00 1.74 1.80 0.00 1.74 0.00 0.00 1.71 0.00 0.00 2.97 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.34 1.46 7.81 
  2     A  8.36 4.29 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 
  3     V  8.42 3.84 2.11 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 0.74 0.00 0.00 0.97 0.00 0.00 
  4     F  8.53 4.81 0.00 2.98 3.05 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  7.91 4.74 0.00 2.51 2.65 0.00 0.00 6.95 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  8.07 4.78 0.00 2.87 2.04 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  9.29 3.91 1.33 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  8.16 4.07 4.21 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 1.15 0.00 0.00 
  9     M  8.49 4.20 0.00 2.02 2.03 0.00 0.00 0.00 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.60 2.48 0.00