NUM RES   HA     H       N        CA      CB       C
 --- --- ------ ------ -------- ------- ------- --------
  1     S  4.3777 8.3193 115.4092 57.8146 64.2408 173.4829
  2     E  3.9376 8.5810 122.2563 55.2489 30.3686 173.9454
  3     I  4.1576 7.5475 118.8848 58.6810 40.5969 175.7370
  4     E  3.8528 8.3213 127.1606 55.8667 29.7451 176.7716
  5     F  4.4177 8.3444 124.9042 57.4195 39.7063 174.8652
  6     A  4.5863 8.4471 126.2147 51.2471 20.4591 176.5405
  7     R  4.6865 8.0333 117.6829 54.3381 32.2743 176.9422
  8     L  4.1757 8.3870 119.9751 55.1912 41.6313 177.0473

  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 3.96 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     E  8.58 3.94 0.00 2.00 1.98 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 2.23 2.25 0.00 
  3     I  7.55 4.16 1.73 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 0.79 0.53 0.00 0.00 
  4     E  8.32 3.85 0.00 1.89 1.79 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 2.28 2.31 0.00 
  5     F  8.34 4.42 0.00 3.13 2.92 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 
  6     A  8.45 4.59 1.29 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  8.03 4.69 0.00 1.81 1.85 0.00 3.23 0.00 0.00 3.24 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.65 0.00 
  8     L  8.39 4.18 0.00 1.62 1.57 0.89 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00