NUM RES   HA     H       N        CA      CB       C
 --- --- ------ ------ -------- ------- ------- --------
  1     R  4.2368 8.2549 120.8593 55.9617 31.2104 175.1995
  2     R  4.0691 8.2341 123.0918 54.6059 30.9766 174.7139
  3     I  4.0022 8.1793 119.7756 61.2923 39.7500 174.7196
  4     Y  4.4870 8.6136 126.9299 59.7975 39.3561 175.8803
  5     D  4.2689 8.1876 118.1273 54.8470 41.1900 175.9464
  6     L  4.6079 8.3882 124.3203 54.1864 42.0607 175.7321
  7     I  4.6508 8.1253 121.5396 59.0324 41.1509 173.8777
  8     E  4.7762 8.5675 124.8749 54.3255 32.4071 176.0995
  9     L  4.2289 8.3997 120.7433 56.0120 40.8503 176.5229

  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     R  8.25 4.24 0.00 1.78 1.90 0.00 3.18 0.00 0.00 3.21 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.64 0.00 
  2     R  8.23 4.07 0.00 1.90 1.85 0.00 3.23 0.00 0.00 3.17 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.66 0.00 
  3     I  8.18 4.00 1.90 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.79 0.95 0.00 0.00 
  4     Y  8.61 4.49 0.00 2.93 2.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 
  5     D  8.19 4.27 0.00 2.71 2.63 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     L  8.39 4.61 0.00 1.76 1.73 0.93 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 
  7     I  8.13 4.65 1.87 0.00 0.00 0.86 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 
  8     E  8.57 4.78 0.00 1.95 1.81 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 2.20 2.25 0.00 
  9     L  8.40 4.23 0.00 1.73 1.64 0.92 0.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 0.00 0.00 0.00 0.00 0.00 0.00