NUM RES   HA     H       N        CA      CB       C
 --- --- ------ ------ -------- ------- ------- --------
  1     C  4.6985 8.4544 120.6452 56.6773 41.8783 172.3874
  2     H  4.9722 8.4502 122.4275 51.4248 32.3639 172.0633
  3     P  5.0101 0.0000   0.0000 65.2449 31.8483 177.5564
  4     Q  3.7011 8.1474 118.5524 58.1225 29.0461 176.7175
  5     F  4.7618 8.3066 115.2849 58.3785 40.8096 173.2167
  6     C  4.6148 7.6926 119.1890 55.3908 42.6072 173.4017

  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  8.45 4.70 0.00 2.98 3.10 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  8.45 4.97 0.00 3.35 3.37 0.00 5.76 0.00 0.00 0.00 0.00 6.60 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 5.01 0.00 2.14 2.25 0.00 3.60 0.00 0.00 3.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.79 0.00 
  4     Q  8.15 3.70 0.00 1.70 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.47 6.81 0.00 0.00 0.00 0.00 0.00 1.16 1.92 0.00 
  5     F  8.31 4.76 0.00 3.18 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 
  6     C  7.69 4.61 0.00 3.14 3.21 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