NUM RES   HA     H       N        CA      CB       C
 --- --- ------ ------ -------- ------- ------- --------
  1     G  3.8943 8.3393 109.7385 45.8288  0.0000 173.1329
  2     H  4.7927 8.3880 116.1783 53.1559 31.0794 172.2134
  3     R  4.5900 8.0113 117.1883 53.7116 34.4259 174.9215
  4     P  4.4550 0.0000   0.0000 63.1151 31.3610 176.1239

  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 3.89 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 0.00 0.00 0.00 
  2     H  8.39 4.79 0.00 3.35 3.34 0.00 5.47 0.00 0.00 0.00 0.00 6.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 
  3     R  8.01 4.59 0.00 1.76 1.81 0.00 3.35 0.00 0.00 3.24 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.52 0.00 
  4     P  0.00 4.45 0.00 2.18 2.04 0.00 3.76 0.00 0.00 3.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.94 0.00