NUM RES   HA     H       N        CA      CB       C
 --- --- ------ ------ -------- ------- ------- --------
  1     S  4.3782 8.3349 115.2912 58.0542 64.1634 174.4727
  2     H  4.6751 8.1452 114.6166 55.2370 30.3210 173.0175
  3     H  4.9730 8.2774 115.9617 54.0423 32.7485 172.0768
  4     H  4.8646 8.4849 121.2083 54.7824 32.8846 172.0218
  5     H  4.9154 8.3420 122.5203 54.3408 31.2308 174.0394
  6     H  4.4903 8.7431 118.6786 56.0082 28.8497 174.7258

  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     S  8.33 4.38 0.00 3.82 3.92 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  8.15 4.68 0.00 3.34 3.23 0.00 5.69 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     H  8.28 4.97 0.00 3.09 3.12 0.00 5.65 0.00 0.00 0.00 0.00 6.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 
  4     H  8.48 4.86 0.00 2.99 3.08 0.00 5.88 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 
  5     H  8.34 4.92 0.00 3.08 3.14 0.00 5.72 0.00 0.00 0.00 0.00 6.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 
  6     H  8.74 4.49 0.00 3.13 3.21 0.00 5.73 0.00 0.00 0.00 0.00 6.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00