NUM RES   HA     H       N        CA      CB       C
 --- --- ------ ------ -------- ------- ------- --------
  2     S  4.4032 8.3193 115.4018 58.1622 64.3502 171.9656
  3     L  4.6314 7.9879 119.4009 53.1172 42.9918 174.1210
  4     W  4.6543 9.3770 121.0633 55.3255 30.9398 177.8545
  5     N  4.7920 8.8776 121.0720 53.2607 40.4301 176.8627
  6     G  3.8708 8.5298 109.0355 44.9379  0.0000 175.6291
  7     P  4.2318 0.0000   0.0000 62.8322 32.0902 175.7404
  8     H  4.6088 8.3518 118.4776 55.0704 29.5957 175.6297
  9     L  4.1810 8.4880 119.8171 55.4591 41.3998 177.4755

  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 4.40 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  7.99 4.63 0.00 1.86 1.66 0.98 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 
  4     W  9.38 4.65 0.00 3.25 3.12 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 0.00 0.00 0.00 0.00 
  5     N  8.88 4.79 0.00 2.79 2.80 0.00 0.00 7.00 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  8.53 3.87 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 4.23 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 4.61 0.00 3.16 3.22 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  8.49 4.18 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 1.63 0.00 0.00 0.00 0.00 0.00 0.00