NUM RES   HA     H       N        CA      CB       C
 --- --- ------ ------ -------- ------- ------- --------
  1     P  4.4110 0.0000   0.0000 61.3658 32.6920 175.6473
  2     P  4.1734 0.0000   0.0000 61.8193 31.4940 174.0808
  3     H  4.7563 7.8019 115.9577 54.5798 32.1071 173.4559
  4     S  4.2727 8.5343 113.2782 58.6269 63.0950 174.0341

  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     P  0.00 4.41 0.00 2.21 2.16 0.00 3.74 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 2.00 0.00 
  2     P  0.00 4.17 0.00 2.15 2.04 0.00 3.73 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.14 0.00 
  3     H  7.80 4.76 0.00 3.23 3.25 0.00 5.52 0.00 0.00 0.00 0.00 6.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 
  4     S  8.53 4.27 0.00 4.00 3.89 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