NUM RES   HA     H       N        CA      CB       C
 --- --- ------ ------ -------- ------- ------- --------
  1     C  4.6607 8.4544 120.6447 56.8310 43.2157 172.4316
  2     H  4.3491 8.4325 122.7784 55.2868 30.9646 175.0287
  3     P  3.9165 0.0000   0.0000 65.3203 32.7676 176.5786
  4     Q  3.9343 8.1732 118.2776 58.0854 29.2104 176.4354
  5     F  4.7600 8.1024 114.0572 57.6233 41.6854 173.8601
  6     C  4.5189 8.2956 119.0476 55.3826 42.7432 173.2832

  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 4.66 0.00 2.97 3.12 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  8.43 4.35 0.00 3.32 3.23 0.00 5.75 0.00 0.00 0.00 0.00 6.77 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 3.92 0.00 1.67 1.90 0.00 3.57 0.00 0.00 3.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 2.02 0.00 
  4     Q  8.17 3.93 0.00 2.02 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.51 6.51 0.00 0.00 0.00 0.00 0.00 1.16 1.97 0.00 
  5     F  8.10 4.76 0.00 3.10 2.99 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  8.30 4.52 0.00 3.13 3.12 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