NUM RES   HA     H       N        CA      CB       C
 --- --- ------ ------ -------- ------- ------- --------
  1     C  4.6843 8.4544 120.6470 56.8433 45.5701 172.8390
  2     H  4.3852 7.9177 122.8551 52.9314 30.8349 173.5689
  3     P  4.7501 0.0000   0.0000 64.4518 32.0630 176.7915
  4     Q  3.8192 8.3096 119.5939 58.0263 29.3152 175.9825
  5     F  4.6783 8.0742 114.2749 58.4924 40.9434 174.2642
  6     C  4.5756 8.4522 119.6630 55.3890 42.6807 173.3217

  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 4.68 0.00 2.98 3.13 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  7.92 4.39 0.00 3.43 3.48 0.00 5.74 0.00 0.00 0.00 0.00 6.61 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 4.75 0.00 2.12 2.10 0.00 2.98 0.00 0.00 3.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.77 0.00 
  4     Q  8.31 3.82 0.00 1.70 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.26 6.69 0.00 0.00 0.00 0.00 0.00 1.16 1.91 0.00 
  5     F  8.07 4.68 0.00 3.15 3.07 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  8.45 4.58 0.00 3.12 3.24 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 0.00