NUM RES   HA     H       N        CA      CB       C
 --- --- ------ ------ -------- ------- ------- --------
  1     C  4.6705 8.4544 120.6445 56.3983 42.7116 173.0504
  2     H  4.4287 8.6137 124.4061 53.2058 30.3288 173.9451
  3     P  4.8387 0.0000   0.0000 64.6437 32.0115 176.8676
  4     Q  3.7939 8.1866 119.2336 57.9076 29.0197 176.3427
  5     F  4.9107 8.2315 115.3965 57.4685 41.4269 172.9104
  6     C  4.6044 8.0086 119.4672 55.4618 42.7856 173.5939

  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 4.67 0.00 2.99 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  8.61 4.43 0.00 3.46 3.63 0.00 5.74 0.00 0.00 0.00 0.00 6.62 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 4.84 0.00 2.12 2.11 0.00 3.01 0.00 0.00 2.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.79 0.00 
  4     Q  8.19 3.79 0.00 1.64 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.81 0.00 0.00 0.00 0.00 0.00 1.26 1.94 0.00 
  5     F  8.23 4.91 0.00 3.19 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  8.01 4.60 0.00 3.07 3.17 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