NUM RES   HA     H       N        CA      CB       C
 --- --- ------ ------ -------- ------- ------- --------
  1     S  4.4049 8.3344 115.2943 57.7605 63.3491 173.2083
  2     Q  3.9573 8.6176 129.5237 54.9969 29.6078 173.6676
  3     Y  4.0419 8.4723 126.2667 57.5093 40.2856 174.2364
  4     Y  3.9009 7.6264 128.1924 56.4032 38.3533 174.5093
  5     Y  4.0356 7.3470 125.3327 57.6737 38.5882 175.9020
  6     N  4.6941 8.5825 121.9689 53.1711 40.3662 173.9606
  7     S  4.7547 8.1771 115.3129 56.9533 64.6358 174.6852
  8     L  4.2211 8.3005 121.4164 55.1855 41.5048 177.0058

  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 4.40 0.00 3.86 3.88 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 
  2     Q  8.62 3.96 0.00 2.19 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.79 0.00 0.00 0.00 0.00 0.00 2.38 2.55 0.00 
  3     Y  8.47 4.04 0.00 2.66 2.17 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     Y  7.63 3.90 0.00 2.81 2.67 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     Y  7.35 4.04 0.00 2.80 2.81 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 0.00 0.00 0.00 
  6     N  8.58 4.69 0.00 2.78 2.82 0.00 0.00 7.00 7.63 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 
  7     S  8.18 4.75 0.00 3.91 3.77 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     L  8.30 4.22 0.00 1.63 1.57 0.90 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00