NUM RES   HA     H       N        CA      CB       C
 --- --- ------ ------ -------- ------- ------- --------
  1     S  4.4218 8.3349 115.2928 57.6783 63.4306 173.6547
  2     L  4.0741 8.3902 127.7257 53.6881 42.2116 175.0901
  3     Y  4.5129 8.4821 121.9891 57.4644 39.6975 174.3056
  4     L  3.9687 7.5988 126.6031 57.1872 42.8454 176.8156
  5     T  3.9085 6.5917 117.5833 62.9025 69.6981 174.7476
  6     V  4.1780 7.9047 123.7618 60.7580 33.2990 174.9682
  7     A  4.2610 8.5211 130.8635 51.9184 19.1703 176.7688
  8     T  4.3946 8.1013 111.6301 60.3572 70.4460 174.9640
  9     L  4.1608 8.3274 121.4529 55.2892 41.6240 177.1830

  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 4.42 0.00 3.86 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 
  2     L  8.39 4.07 0.00 1.79 1.64 0.93 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 
  3     Y  8.48 4.51 0.00 2.83 2.85 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 
  4     L  7.60 3.97 0.00 1.57 1.27 0.88 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 
  5     T  6.59 3.91 3.93 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 1.11 0.00 0.00 
  6     V  7.90 4.18 2.05 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 0.84 0.00 0.00 0.90 0.00 0.00 
  7     A  8.52 4.26 1.27 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 
  8     T  8.10 4.39 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 
  9     L  8.33 4.16 0.00 1.66 1.63 0.93 0.84 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