NUM RES   HA     H       N        CA      CB       C
 --- --- ------ ------ -------- ------- ------- --------
  1     K  4.1957 8.3101 121.7916 56.0897 33.3754 175.3922
  2     A  4.1777 8.3242 128.2378 49.6804 19.3060 172.3856
  3     V  3.9976 7.9931 119.8198 61.3950 33.3664 173.6163
  4     Y  4.8425 8.0809 119.0544 55.0342 40.0285 175.4306
  5     N  4.6860 8.8111 121.6639 53.2662 40.5327 175.8171
  6     F  4.9210 8.0636 124.4328 57.3465 37.8509 178.8936
  7     A  3.8816 8.9138 119.8232 51.8366 18.3065 177.7547
  8     T  4.2188 8.0631 111.6370 61.0194 69.9723 174.4491
  9     C  4.3294 8.4384 118.0154 60.1957 28.1220 173.9876

  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 1.75 1.80 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 1.36 1.47 7.81 
  2     A  8.32 4.18 1.31 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 4.00 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 0.80 0.00 0.00 0.90 0.00 0.00 
  4     Y  8.08 4.84 0.00 3.02 2.89 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  8.81 4.69 0.00 2.79 2.84 0.00 0.00 7.01 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  8.06 4.92 0.00 2.82 2.15 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  8.91 3.88 1.27 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 4.22 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     C  8.44 4.33 0.00 2.99 2.90 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