NUM RES   HA     H       N        CA      CB       C
 --- --- ------ ------ -------- ------- ------- --------
  1     G  3.9809 8.1976 109.7439 45.3694  0.0000 175.4152
  2     H  4.0052 8.2840 116.0840 56.0619 28.3023 172.9279
  3     M  3.1120 7.2617 124.2264 53.3182 32.1717 178.0196
  4     S  4.6153 7.8582 119.7176 58.6658 62.9343 172.6599

  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  8.20 3.98 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  8.28 4.01 0.00 3.37 3.42 0.00 5.60 0.00 0.00 0.00 0.00 7.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 
  3     M  7.26 3.11 0.00 2.21 2.16 0.00 0.00 0.00 0.00 0.00 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.47 2.51 0.00 
  4     S  7.86 4.62 0.00 3.87 4.03 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