NUM RES   HA     H       N        CA      CB       C
 --- --- ------ ------ -------- ------- ------- --------
  1     L  4.2821 8.1693 122.4911 54.2619 43.2219 176.2700
  2     P  4.4087 0.0000   0.0000 59.6181 32.4435 173.6359
  3     P  4.4297 0.0000   0.0000 62.1038 33.1816 176.8371
  4     L  4.0672 8.2404 121.9465 54.4810 42.0240 175.8473
  5     D  4.6203 8.6286 126.8907 53.5181 41.0824 175.3092
  6     I  4.3661 8.3435 125.6170 60.7098 39.7871 174.8385
  7     T  4.5098 7.8356 116.4641 61.7001 69.8064 172.7729
  8     P  4.7774 0.0000   0.0000 61.7957 32.6792 175.9361
  9     Y  4.2452 8.6735 115.8597 58.6159 37.8825 175.9589

  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     L  8.17 4.28 0.00 1.60 1.65 0.92 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 
  2     P  0.00 4.41 0.00 2.31 2.03 0.00 3.82 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 2.02 0.00 
  3     P  0.00 4.43 0.00 2.21 2.09 0.00 3.77 0.00 0.00 3.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.95 0.00 
  4     L  8.24 4.07 0.00 1.61 1.64 0.93 1.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.00 0.00 0.00 0.00 0.00 0.00 
  5     D  8.63 4.62 0.00 2.69 2.61 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     I  8.34 4.37 1.88 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.95 0.92 0.00 0.00 
  7     T  7.84 4.51 4.24 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 1.21 0.00 0.00 
  8     P  0.00 4.78 0.00 2.11 2.06 0.00 3.71 0.00 0.00 3.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.14 0.00 
  9     Y  8.67 4.25 0.00 2.83 2.88 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