NUM RES   HA     H       N        CA      CB       C
 --- --- ------ ------ -------- ------- ------- --------
  1     S  4.3833 8.3193 115.2886 58.0787 63.5133 173.5045
  2     S  4.2086 8.4395 122.1011 56.8641 64.0363 171.8967
  3     I  3.9623 7.7426 121.4367 59.7145 39.8424 175.6511
  4     E  4.2199 8.1441 124.8973 54.9992 30.0835 176.1897
  5     F  4.3158 8.6548 124.7690 57.1181 39.9024 175.0024
  6     A  4.5782 8.2922 126.0275 50.9038 20.1694 177.4638
  7     R  4.2297 8.1784 118.4633 55.9521 30.9804 177.2796
  8     L  4.2182 8.3643 119.8331 55.1585 41.7516 176.9179

  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  8.32 4.38 0.00 3.84 3.82 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     S  8.44 4.21 0.00 4.11 3.88 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 
  3     I  7.74 3.96 1.65 0.00 0.00 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.06 0.70 0.16 0.00 0.00 
  4     E  8.14 4.22 0.00 1.91 1.77 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 2.27 2.33 0.00 
  5     F  8.65 4.32 0.00 3.07 2.98 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 
  6     A  8.29 4.58 1.27 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 
  7     R  8.18 4.23 0.00 1.83 1.88 0.00 3.38 0.00 0.00 3.25 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.61 0.00 
  8     L  8.36 4.22 0.00 1.63 1.58 0.90 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00