NUM RES   HA     H       N        CA      CB       C
 --- --- ------ ------ -------- ------- ------- --------
  1     A  4.2638 8.2649 123.5821 51.2134 20.6528 176.7992
  2     I  4.3403 7.6887 116.3219 57.8031 39.5694 172.8125
  3     R  4.7224 8.5613 125.4023 56.0194 31.1466 175.4502
  4     S  4.3016 8.6610 110.9639 58.3538 62.5685 173.9519

  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     A  8.26 4.26 1.31 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     I  7.69 4.34 1.87 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.34 0.91 0.00 0.00 
  3     R  8.56 4.72 0.00 1.87 1.76 0.00 2.98 0.00 0.00 3.15 7.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.56 0.00 
  4     S  8.66 4.30 0.00 3.81 3.73 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