NUM RES   HA     H       N        CA      CB       C
 --- --- ------ ------ -------- ------- ------- --------
  2     S  4.4328 8.3193 115.4012 58.0601 64.3825 172.1387
  3     L  4.6422 7.9213 118.8650 53.2492 43.0908 174.2165
  4     W  4.5924 9.4645 121.8308 55.7810 30.8016 177.7724
  5     N  4.8107 8.8769 121.0467 53.1226 40.5525 176.6926
  6     G  3.7708 8.7151 109.5229 45.1160  0.0000 175.2232
  7     P  4.2221 0.0000   0.0000 62.8526 32.3152 175.8900
  8     H  4.5748 8.3494 118.7281 55.1662 29.5501 175.6054
  9     L  4.1857 8.4404 119.8016 55.3953 41.3960 177.4433

  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   
  2     S  8.32 4.43 0.00 3.88 3.90 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 
  3     L  7.92 4.64 0.00 1.84 1.64 1.00 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 
  4     W  9.46 4.59 0.00 3.25 3.14 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  8.88 4.81 0.00 2.79 2.80 0.00 0.00 6.99 7.65 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     G  8.72 3.77 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 0.00 
  7     P  0.00 4.22 0.00 2.05 2.00 0.00 3.68 0.00 0.00 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.10 0.00 
  8     H  8.35 4.57 0.00 3.16 3.23 0.00 5.73 0.00 0.00 0.00 0.00 6.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 
  9     L  8.44 4.19 0.00 1.65 1.61 0.93 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00