NUM RES   HA     H       N        CA      CB       C
 --- --- ------ ------ -------- ------- ------- --------
  4     P  4.3965 0.0000   0.0000 62.1751 32.6883 175.5412
  5     S  4.1543 8.2892 114.7788 55.4224 63.2922 172.3179
  6     P  4.3102 0.0000   0.0000 62.5737 32.4332 176.0840
  7     S  4.1184 8.7237 118.4911 58.3541 63.2432 172.7210
  8     P  4.4737 0.0000   0.0000 61.9329 32.0959 176.2740
  9     S  4.2395 8.5977 112.3661 58.8881 62.1241 174.1244

  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   
  4     P  0.00 4.40 0.00 2.19 2.15 0.00 3.73 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 1.99 0.00 
  5     S  8.29 4.15 0.00 3.96 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 
  6     P  0.00 4.31 0.00 2.17 2.07 0.00 3.79 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.99 0.00 
  7     S  8.72 4.12 0.00 3.88 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 
  8     P  0.00 4.47 0.00 2.17 2.05 0.00 3.81 0.00 0.00 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.95 0.00 
  9     S  8.60 4.24 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