NUM RES   HA     H       N        CA      CB       C
 --- --- ------ ------ -------- ------- ------- --------
  1     G  3.9289 8.3393 109.7389 45.9438  0.0000 172.3630
  2     H  4.6374 8.5300 114.4776 53.3141 30.6192 172.9464
  3     R  4.3230 8.9079 120.1801 53.4983 31.5808 175.7759
  4     P  4.4751 0.0000   0.0000 63.0123 31.3117 176.5875

  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  8.53 4.64 0.00 3.35 3.29 0.00 5.48 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 
  3     R  8.91 4.32 0.00 1.77 1.89 0.00 3.38 0.00 0.00 3.17 7.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.53 0.00 
  4     P  0.00 4.48 0.00 2.03 2.04 0.00 3.64 0.00 0.00 3.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 2.11 0.00