NUM RES   HA     H       N        CA      CB       C
 --- --- ------ ------ -------- ------- ------- --------
  1     F  4.8032 8.3249 122.8314 56.8270 40.0865 174.6024
  2     S  4.1019 10.7700 116.6332 57.8640 62.4022 166.3668
  3     H  4.5780 8.9030 124.7665 53.9603 33.5133 171.2452
  4     P  4.3335 0.0000   0.0000 64.9843 31.4671 177.8830
  5     Q  4.1872 8.3570 118.7889 58.5934 29.2126 175.9630
  6     N  4.9352 7.6883 112.4073 52.7102 42.7696 174.0361
  7     T  3.7868 8.6530 114.6704 62.7229 68.4478 171.7310

  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 4.80 0.00 2.86 2.65 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 4.10 0.00 4.10 3.98 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  8.90 4.58 0.00 2.45 3.02 0.00 5.73 0.00 0.00 0.00 0.00 6.93 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 4.33 0.00 1.99 2.02 0.00 2.93 0.00 0.00 3.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 1.92 0.00 
  5     Q  8.36 4.19 0.00 2.12 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.42 6.74 0.00 0.00 0.00 0.00 0.00 2.38 2.42 0.00 
  6     N  7.69 4.94 0.00 2.72 2.65 0.00 0.00 7.02 7.57 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 3.79 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 1.22 0.00 0.00