NUM RES   HA     H       N        CA      CB       C
 --- --- ------ ------ -------- ------- ------- --------
  1     Y  4.7685 8.1449 118.9783 57.3360 38.8878 176.0049
  2     T  4.1596 8.0730 115.2970 60.7208 69.4557 172.7033
  3     S  4.4038 8.4660 117.9904 58.9853 65.5802 174.5378
  4     G  3.8526 7.8933 109.1703 45.2991  0.0000 170.9908
  5     P  4.5246 0.0000   0.0000 61.6779 32.9045 178.1061
  6     G  3.7197 7.8361 107.0657 46.2678  0.0000 172.7582
  7     I  4.3988 7.9086 122.4507 59.4176 39.2964 175.7513
  8     R  4.2644 8.1362 121.5755 56.0850 30.7764 176.6063
  9     Y  4.1152 8.7104 116.2249 58.5242 37.8848 176.0717

  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     Y  8.14 4.77 0.00 3.04 2.53 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     T  8.07 4.16 4.03 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 1.07 0.00 0.00 
  3     S  8.47 4.40 0.00 3.92 3.94 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 
  4     G  7.89 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 0.00 0.00 0.00 
  5     P  0.00 4.52 0.00 2.15 2.16 0.00 3.58 0.00 0.00 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 2.03 0.00 
  6     G  7.84 3.72 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 
  7     I  7.91 4.40 1.79 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.89 0.87 0.00 0.00 
  8     R  8.14 4.26 0.00 1.83 1.94 0.00 3.23 0.00 0.00 3.26 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.67 0.00 
  9     Y  8.71 4.12 0.00 2.89 2.90 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