NUM RES   HA     H       N        CA      CB       C
 --- --- ------ ------ -------- ------- ------- --------
  1     S  4.3260 8.3301 115.2886 57.7559 63.3686 173.5469
  2     A  3.9994 8.4092 130.7280 49.4321 18.9136 174.3715
  3     P  4.1973 0.0000   0.0000 62.2948 33.0724 174.0131
  4     D  4.4913 8.0099 118.7750 52.8395 41.0630 175.7186
  5     F  4.6504 8.4659 125.9004 56.7943 40.0681 175.5970
  6     R  4.7645 8.2215 122.5501 53.3426 33.3890 173.4070
  7     P  4.2003 0.0000   0.0000 62.6893 32.1530 176.2307
  8     L  4.3054 8.3878 120.3332 55.8927 40.6296 176.2695

  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     S  8.33 4.33 0.00 3.84 3.83 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 
  2     A  8.41 4.00 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     P  0.00 4.20 0.00 1.65 1.83 0.00 3.68 0.00 0.00 3.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.83 1.63 0.00 
  4     D  8.01 4.49 0.00 2.58 2.54 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     F  8.47 4.65 0.00 3.08 2.94 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 
  6     R  8.22 4.76 0.00 1.78 1.81 0.00 3.26 0.00 0.00 3.24 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.62 0.00 
  7     P  0.00 4.20 0.00 2.05 2.03 0.00 3.68 0.00 0.00 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.14 0.00 
  8     L  8.39 4.31 0.00 1.73 1.65 0.92 0.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 0.00 0.00 0.00 0.00 0.00 0.00