NUM RES   HA     H       N        CA      CB       C
 --- --- ------ ------ -------- ------- ------- --------
  1     G  3.9280 8.3393 109.7389 45.3272  0.0000 173.1940
  2     H  4.3560 8.6657 115.7095 54.0848 29.4394 172.7598
  3     R  4.4813 8.7140 120.6869 53.7701 33.0445 174.7797
  4     P  4.3995 0.0000   0.0000 62.8328 31.1418 175.7413

  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     G  8.34 3.93 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 0.00 0.00 0.00 
  2     H  8.67 4.36 0.00 3.38 3.31 0.00 5.47 0.00 0.00 0.00 0.00 6.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 
  3     R  8.71 4.48 0.00 1.71 1.80 0.00 3.30 0.00 0.00 3.18 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.64 0.00 
  4     P  0.00 4.40 0.00 2.06 1.95 0.00 3.71 0.00 0.00 3.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 2.08 0.00