NUM RES   HA     H       N        CA      CB       C
 --- --- ------ ------ -------- ------- ------- --------
  1     S  4.4017 8.3193 115.2880 57.8740 63.4532 173.5699
  2     S  4.0842 8.4613 122.4998 57.0449 63.6721 172.2884
  3     I  3.7211 7.7727 121.9888 60.3897 39.4108 175.9817
  4     E  4.1587 8.1321 124.9526 54.8717 29.8185 176.0996
  5     F  4.3183 8.5259 125.2888 57.2055 39.7796 175.2746
  6     A  4.4834 8.3897 127.0593 51.1520 19.6870 177.4395
  7     R  4.2029 8.2044 118.4992 56.0615 30.9479 177.2864
  8     L  4.2304 8.3550 119.7243 55.1319 41.7742 176.8643

  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 4.40 0.00 3.83 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 
  2     S  8.46 4.08 0.00 4.11 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 
  3     I  7.77 3.72 1.63 0.00 0.00 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.06 0.66 0.05 0.00 0.00 
  4     E  8.13 4.16 0.00 1.89 1.77 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 2.25 2.31 0.00 
  5     F  8.53 4.32 0.00 3.12 2.96 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     A  8.39 4.48 1.28 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 
  7     R  8.20 4.20 0.00 1.83 1.89 0.00 3.38 0.00 0.00 3.25 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.61 0.00 
  8     L  8.36 4.23 0.00 1.63 1.57 0.90 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00