NUM RES   HA     H       N        CA      CB       C
 --- --- ------ ------ -------- ------- ------- --------
  1     G  3.9002 8.3393 109.7396 45.9508  0.0000 172.1757
  2     H  4.6379 8.5540 115.2950 53.5938 30.4790 173.5221
  3     R  4.3683 7.8623 117.6471 53.1281 31.9156 175.0791
  4     P  4.4323 0.0000   0.0000 62.8593 31.1253 176.8979

  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 3.90 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  8.55 4.64 0.00 3.36 3.32 0.00 5.47 0.00 0.00 0.00 0.00 6.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 
  3     R  7.86 4.37 0.00 1.75 1.84 0.00 3.35 0.00 0.00 3.23 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.51 0.00 
  4     P  0.00 4.43 0.00 2.17 2.07 0.00 3.65 0.00 0.00 3.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 1.92 0.00