NUM RES   HA     H       N        CA      CB       C
 --- --- ------ ------ -------- ------- ------- --------
  1     S  4.2895 8.3349 115.4138 58.7805 63.9508 171.8498
  2     Q  3.2332 8.5900 122.2568 54.7564 28.0983 171.5247
  3     N  4.5515 6.8840 121.7017 53.6538 42.4010 174.3627
  4     Y  4.2699 8.3842 120.5069 58.0599 38.7780 175.7196

  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 4.29 0.00 3.98 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     Q  8.59 3.23 0.00 2.41 2.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.05 7.09 0.00 0.00 0.00 0.00 0.00 2.49 2.54 0.00 
  3     N  6.88 4.55 0.00 2.51 2.60 0.00 0.00 6.73 7.46 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 
  4     Y  8.38 4.27 0.00 2.92 2.85 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