NUM RES   HA     H       N        CA      CB       C
 --- --- ------ ------ -------- ------- ------- --------
  1     K  4.1873 8.3101 120.1306 56.2208 33.5231 175.1462
  2     A  4.1956 8.2246 126.0065 49.1968 19.6466 172.1558
  3     V  3.8766 8.2630 120.5012 61.6303 33.2151 173.6314
  4     Y  5.1071 8.2816 120.1296 55.7809 40.1700 174.6764
  5     N  4.8142 8.8315 124.5929 53.3831 40.8500 177.4703
  6     F  4.4367 8.2796 120.4883 57.8613 38.4362 179.2177
  7     A  3.9928 9.3364 117.6893 51.9205 18.5963 178.3252
  8     T  4.2700 8.0495 111.7976 60.8927 70.1828 174.6995
  9     M  4.2393 8.3773 119.9443 55.7627 31.9775 176.6622

  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 1.74 1.77 0.00 1.68 0.00 0.00 1.66 0.00 0.00 2.90 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.29 1.42 7.81 
  2     A  8.22 4.20 1.24 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 0.00 0.00 0.00 
  3     V  8.26 3.88 2.12 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 0.78 0.00 0.00 1.02 0.00 0.00 
  4     Y  8.28 5.11 0.00 2.90 2.91 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  8.83 4.81 0.00 2.78 2.78 0.00 0.00 6.99 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  8.28 4.44 0.00 2.91 2.20 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  9.34 3.99 1.34 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  8.05 4.27 4.23 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 1.17 0.00 0.00 
  9     M  8.38 4.24 0.00 2.04 2.03 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 2.62 2.54 0.00