NUM RES   HA     H       N        CA      CB       C
 --- --- ------ ------ -------- ------- ------- --------
  1     F  4.6742 8.3249 122.8251 56.6842 40.1478 176.2295
  2     S  4.3183 10.7700 108.9257 58.6196 62.6749 166.2904
  3     H  4.4413 8.7756 122.6668 54.9595 33.0260 171.4705
  4     P  4.4438 0.0000   0.0000 63.8731 31.7052 178.4531
  5     Q  4.1400 8.4149 119.0342 58.7561 29.1408 176.2162
  6     N  4.8977 7.6573 109.8463 53.0508 42.9043 174.2332
  7     T  3.8323 8.6480 115.1866 62.6705 68.4391 171.7408

  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 4.67 0.00 2.92 2.88 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     S  10.77 4.32 0.00 4.07 3.96 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  8.78 4.44 0.00 3.04 3.24 0.00 5.72 0.00 0.00 0.00 0.00 6.85 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 4.44 0.00 2.14 2.01 0.00 3.00 0.00 0.00 3.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 1.93 0.00 
  5     Q  8.41 4.14 0.00 2.15 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.30 6.71 0.00 0.00 0.00 0.00 0.00 2.39 2.44 0.00 
  6     N  7.66 4.90 0.00 2.79 2.66 0.00 0.00 7.25 7.45 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  8.65 3.83 4.25 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 1.23 0.00 0.00