NUM RES   HA     H       N        CA      CB       C
 --- --- ------ ------ -------- ------- ------- --------
  1     S  4.4189 8.3193 115.2930 58.0288 63.5228 173.4991
  2     S  4.2910 8.4689 122.2879 56.9380 63.9539 171.9969
  3     Y  4.2118 8.5997 123.0170 57.4458 40.1123 176.4248
  4     R  4.0682 7.4072 125.8853 53.8382 30.9012 175.1738
  5     R  3.6497 8.0388 126.6713 55.7752 30.2680 174.4185
  6     P  4.5900 0.0000   0.0000 62.6656 32.2569 175.7162
  7     V  4.4314 7.4111 118.6159 59.5493 33.6959 175.7873
  8     G  3.8292 8.3988 111.1493 45.0176  0.0000 173.6177
  9     I  3.8814 8.1791 119.5621 61.5090 37.0668 176.3631

  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 4.42 0.00 3.86 3.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 
  2     S  8.47 4.29 0.00 4.15 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 
  3     Y  8.60 4.21 0.00 2.88 2.92 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     R  7.41 4.07 0.00 1.61 1.58 0.00 3.22 0.00 0.00 3.06 7.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 1.40 0.00 
  5     R  8.04 3.65 0.00 1.95 1.81 0.00 3.44 0.00 0.00 3.39 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.71 0.00 
  6     P  0.00 4.59 0.00 2.19 2.07 0.00 3.80 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 1.94 0.00 
  7     V  7.41 4.43 2.10 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 0.81 0.00 0.00 0.94 0.00 0.00 
  8     G  8.40 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 0.00 0.00 0.00 
  9     I  8.18 3.88 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 1.29 0.59 0.92 0.00 0.00