NUM RES   HA     H       N        CA      CB       C
 --- --- ------ ------ -------- ------- ------- --------
  1     K  4.2328 8.3101 120.1355 56.2451 33.5145 175.2882
  2     A  4.2338 8.3429 126.1912 49.2779 19.6346 172.2331
  3     V  3.8544 7.9863 119.9636 61.5231 33.2155 173.5749
  4     Y  4.8441 7.8426 118.9391 55.1019 40.0797 175.4441
  5     N  4.7698 8.8857 121.3070 53.1652 41.0821 176.5250
  6     F  5.0092 8.6084 121.7605 58.1409 38.0148 179.2350
  7     A  3.9791 9.0254 117.0714 52.1142 18.7662 178.6788
  8     T  4.3496 8.0579 111.8617 60.8954 70.7058 174.8198
  9     M  4.2042 8.3789 119.9114 55.7796 32.1281 176.5180

  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 4.23 0.00 1.77 1.84 0.00 1.73 0.00 0.00 1.74 0.00 0.00 2.96 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.36 1.46 7.81 
  2     A  8.34 4.23 1.29 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  7.99 3.85 2.05 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 0.78 0.00 0.00 0.84 0.00 0.00 
  4     Y  7.84 4.84 0.00 3.00 2.97 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  8.89 4.77 0.00 2.84 2.88 0.00 0.00 6.94 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  8.61 5.01 0.00 2.77 2.32 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 
  7     A  9.03 3.98 1.17 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  8.06 4.35 4.25 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 1.22 0.00 0.00 
  9     M  8.38 4.20 0.00 2.04 2.02 0.00 0.00 0.00 0.00 0.00 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.59 2.54 0.00