NUM RES   HA     H       N        CA      CB       C
 --- --- ------ ------ -------- ------- ------- --------
  1     S  4.3845 8.3193 115.4100 58.1099 64.2705 173.3335
  2     S  4.2179 8.3492 117.4190 56.9000 64.2067 171.4382
  3     I  4.1717 7.6077 120.5110 58.8427 40.6025 175.5097
  4     E  4.0191 8.1962 125.7674 55.2130 29.8922 176.4483
  5     F  4.3839 8.3425 125.1030 57.2423 39.7640 175.1909
  6     A  4.4701 8.4483 126.8683 51.5000 19.6897 176.9872
  7     R  4.5105 8.0922 118.1903 54.8822 31.6027 177.1926
  8     L  4.1812 8.3507 119.6950 55.2083 41.6457 177.0880

  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 3.97 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     S  8.35 4.22 0.00 4.00 3.90 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  7.61 4.17 1.71 0.00 0.00 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.08 0.77 0.41 0.00 0.00 
  4     E  8.20 4.02 0.00 1.89 1.76 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 2.26 2.31 0.00 
  5     F  8.34 4.38 0.00 3.13 2.94 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 4.47 1.28 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  8.09 4.51 0.00 1.83 1.87 0.00 3.23 0.00 0.00 3.24 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.67 0.00 
  8     L  8.35 4.18 0.00 1.63 1.58 0.89 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00