NUM RES   HA     H       N        CA      CB       C
 --- --- ------ ------ -------- ------- ------- --------
  1     F  4.8663 8.3244 119.4945 57.2573 40.2314 174.2256
  2     C  5.7181 8.3010 132.1862 58.8144 32.6031 171.4603
  3     H  4.5824 8.2501 116.3951 54.1127 33.2723 172.0417
  4     P  4.4577 0.0000   0.0000 65.4390 31.6198 177.4852
  5     Q  4.1876 7.7472 118.7380 58.5163 29.0107 176.3212
  6     N  4.7786 7.7772 112.2585 53.1609 42.4588 174.2462
  7     T  3.6440 8.2946 115.0552 62.4292 68.3503 171.9066

  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     F  8.32 4.87 0.00 2.88 3.05 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     C  8.30 5.72 0.00 3.09 2.94 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 
  3     H  8.25 4.58 0.00 3.18 3.11 0.00 5.73 0.00 0.00 0.00 0.00 6.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 
  4     P  0.00 4.46 0.00 2.03 2.08 0.00 3.02 0.00 0.00 3.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 2.00 0.00 
  5     Q  7.75 4.19 0.00 2.21 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.60 0.00 0.00 0.00 0.00 0.00 2.38 2.36 0.00 
  6     N  7.78 4.78 0.00 2.66 2.59 0.00 0.00 7.02 7.53 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 
  7     T  8.29 3.64 4.09 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 0.99 0.00 0.00