NUM RES   HA     H       N        CA      CB       C
 --- --- ------ ------ -------- ------- ------- --------
  1     S  4.4060 8.3193 115.2882 57.8528 63.4746 173.5541
  2     S  4.0665 8.4707 122.5285 57.0795 63.6269 172.2888
  3     I  3.6906 7.8196 122.2621 60.4578 39.4116 176.0271
  4     E  4.1840 8.0779 124.5078 54.4896 29.5255 175.8666
  5     F  4.2823 8.4358 125.5524 57.3289 39.6927 175.3545
  6     A  4.4872 8.3974 127.2741 51.0956 19.7064 177.4455
  7     R  4.1765 8.2170 118.5223 56.1435 30.9125 177.2985
  8     L  4.2337 8.3489 119.5915 55.1327 41.7784 176.8710

  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 4.41 0.00 3.83 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  8.47 4.07 0.00 4.12 3.89 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  7.82 3.69 1.64 0.00 0.00 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.04 0.65 0.06 0.00 0.00 
  4     E  8.08 4.18 0.00 1.88 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 2.23 2.30 0.00 
  5     F  8.44 4.28 0.00 3.12 2.96 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  8.40 4.49 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  8.22 4.18 0.00 1.83 1.89 0.00 3.38 0.00 0.00 3.25 7.36 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  8.35 4.23 0.00 1.63 1.57 0.90 0.83 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