NUM RES   HA     H       N        CA      CB       C
 --- --- ------ ------ -------- ------- ------- --------
  1     S  4.3674 8.3193 115.2878 58.0862 63.3270 173.5382
  2     S  4.2065 8.4704 122.5307 56.8633 64.0801 171.7553
  3     I  4.0206 7.6912 121.1647 59.4289 40.0606 175.5891
  4     E  4.1297 8.1306 125.1603 55.0288 30.0628 176.2432
  5     F  4.3999 8.4644 124.7869 57.1094 39.9070 175.0568
  6     A  4.5587 8.3354 126.1173 51.0102 20.0599 177.4529
  7     R  4.2575 8.1653 118.4199 55.8416 31.0306 177.2646
  8     L  4.2041 8.3533 119.7306 55.1773 41.7326 176.9734

  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 4.37 0.00 3.83 3.83 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 4.21 0.00 4.06 3.85 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  7.69 4.02 1.67 0.00 0.00 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.07 0.72 0.25 0.00 0.00 
  4     E  8.13 4.13 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 2.25 2.31 0.00 
  5     F  8.46 4.40 0.00 3.10 2.95 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  8.34 4.56 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  8.17 4.26 0.00 1.83 1.88 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 4.20 0.00 1.63 1.57 0.89 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00