NUM RES   HA     H       N        CA      CB       C
 --- --- ------ ------ -------- ------- ------- --------
  1     S  4.4378 8.3349 115.2892 58.1732 63.5437 172.2867
  2     D  4.7364 8.3571 117.5860 51.7397 44.5038 169.7033
  3     V  4.0747 8.5727 122.3372 60.9258 34.5454 174.4259
  4     A  4.5041 8.0878 129.7425 50.4594 20.5916 175.7782
  5     F  4.8527 8.5099 119.7142 55.5622 41.6680 174.9718
  6     R  4.7150 8.1706 120.3431 54.5536 32.5345 174.1792
  7     G  3.8717 7.5518 103.9352 46.0592  0.0000 171.3303
  8     N  4.7996 8.5122 117.8257 51.6561 40.9961 174.4446
  9     L  4.3090 8.5449 126.3405 54.1970 42.6041 176.3637
  10    L  4.7879 8.1645 122.7297 52.7618 44.3484 176.2388
  11    D  4.5163 8.6326 121.0227 54.7308 40.7960 176.2838

  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  8.33 4.44 0.00 3.84 3.87 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     D  8.36 4.74 0.00 2.69 2.47 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     V  8.57 4.07 1.91 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 0.18 0.00 0.00 0.87 0.00 0.00 
  4     A  8.09 4.50 1.14 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 
  5     F  8.51 4.85 0.00 3.00 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     R  8.17 4.72 0.00 1.88 1.88 0.00 3.13 0.00 0.00 3.22 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.63 0.00 
  7     G  7.55 3.87 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 0.00 
  8     N  8.51 4.80 0.00 2.63 2.67 0.00 0.00 6.89 7.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 
  9     L  8.54 4.31 0.00 1.68 1.59 0.92 0.99 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 
  10    L  8.16 4.79 0.00 1.60 1.54 0.92 1.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 
  11    D  8.63 4.52 0.00 2.67 2.58 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