NUM RES   HA     H       N        CA      CB       C
 --- --- ------ ------ -------- ------- ------- --------
  1     S  4.3953 8.3349 115.2878 57.7126 63.5576 173.6033
  2     L  4.0146 8.2755 126.9726 53.0830 42.2460 175.1826
  3     L  3.8840 8.4679 122.5977 55.6373 43.3085 176.8883
  4     M  4.2646 8.3293 124.3625 58.0981 32.5405 176.0342
  5     W  5.1800 7.1745 112.6784 55.0967 30.8579 173.2552
  6     I  4.4971 8.2089 112.9875 59.1732 39.0730 175.5500
  7     T  4.2901 8.4584 121.0306 63.1671 69.1181 174.6967
  8     Q  4.2178 8.4894 124.5286 55.4718 29.5637 176.4064
  9     L  4.1707 8.5019 119.2363 55.4334 41.6091 177.3389

  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 3.84 3.82 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  8.28 4.01 0.00 1.76 1.58 0.93 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 
  3     L  8.47 3.88 0.00 1.49 1.51 0.68 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.00 0.00 0.00 0.00 0.00 0.00 
  4     M  8.33 4.26 0.00 2.13 2.05 0.00 0.00 0.00 0.00 0.00 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.78 2.86 0.00 
  5     W  7.17 5.18 0.00 3.35 3.11 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     I  8.21 4.50 1.91 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.63 0.89 0.00 0.00 
  7     T  8.46 4.29 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 1.29 0.00 0.00 
  8     Q  8.49 4.22 0.00 2.06 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.39 7.03 0.00 0.00 0.00 0.00 0.00 2.39 2.41 0.00 
  9     L  8.50 4.17 0.00 1.64 1.61 0.93 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00