NUM RES   HA     H       N        CA      CB       C
 --- --- ------ ------ -------- ------- ------- --------
  1     C  4.5540 8.3444 115.6518 58.2872 29.2326 172.6944
  2     H  4.6405 8.3227 123.6370 52.8781 32.7594 171.7188
  3     P  4.4580 0.0000   0.0000 65.3068 32.5238 177.0043
  4     Q  4.1942 7.6492 118.1762 58.6647 29.0174 176.6172
  5     N  4.9065 7.7290 112.1444 52.9034 42.6950 174.1127
  6     T  3.8140 8.6835 115.2020 62.6715 68.4420 171.6838

  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     C  8.34 4.55 0.00 3.09 3.04 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     H  8.32 4.64 0.00 3.21 3.13 0.00 5.68 0.00 0.00 0.00 0.00 6.79 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 4.46 0.00 2.04 2.06 0.00 3.12 0.00 0.00 3.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 1.98 0.00 
  4     Q  7.65 4.19 0.00 2.13 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.43 6.60 0.00 0.00 0.00 0.00 0.00 2.39 2.37 0.00 
  5     N  7.73 4.91 0.00 2.70 2.64 0.00 0.00 7.07 7.54 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 
  6     T  8.68 3.81 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 1.22 0.00 0.00