NUM RES   HA     H       N        CA      CB       C
 --- --- ------ ------ -------- ------- ------- --------
  1     S  4.4272 8.3349 115.2936 57.7399 63.5789 173.5591
  2     L  4.1037 8.3205 127.0471 53.2407 42.2604 176.0439
  3     F  4.4405 8.8499 123.6457 58.6856 40.7488 175.1432
  4     N  4.3316 7.7519 125.5841 52.4596 37.1818 173.7658
  5     T  3.7774 7.4845 116.7504 61.4002 68.5369 174.2601
  6     V  4.1584 8.2309 118.2532 62.4789 34.6321 176.3596
  7     A  4.3462 7.9689 120.9361 51.7016 19.2550 176.3869
  8     T  4.6850 7.9697 110.3668 59.2073 71.5746 174.4976
  9     L  4.1533 8.4366 120.9100 55.3725 41.5871 177.3532

  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 4.43 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     L  8.32 4.10 0.00 1.78 1.63 0.93 0.58 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     F  8.85 4.44 0.00 2.88 3.01 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     N  7.75 4.33 0.00 2.46 2.38 0.00 0.00 6.99 7.70 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     T  7.48 3.78 4.33 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 1.19 0.00 0.00 
  6     V  8.23 4.16 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 0.68 0.00 0.00 0.94 0.00 0.00 
  7     A  7.97 4.35 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 
  8     T  7.97 4.69 4.25 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 1.22 0.00 0.00 
  9     L  8.44 4.15 0.00 1.66 1.64 0.93 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00