NUM RES   HA     H       N        CA      CB       C
 --- --- ------ ------ -------- ------- ------- --------
  1     S  4.4330 8.3349 115.4126 58.0469 63.9841 172.9093
  2     L  4.3785 8.3643 125.7634 52.7839 42.9174 174.7968
  3     K  4.5748 8.3664 121.0299 54.0875 36.5028 175.6175
  4     L  4.0839 8.5245 125.3932 55.5341 42.5740 176.2481
  5     M  4.1994 8.6975 126.2697 57.2364 32.5822 175.8561
  6     T  4.2733 6.9745 104.3648 61.6261 71.1046 171.6806
  7     T  4.7586 8.2979 110.0835 60.1328 71.7831 174.1840
  8     V  4.0205 8.1278 114.7844 61.7805 32.6116 175.5958

  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 3.99 3.97 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  8.36 4.38 0.00 1.73 1.62 0.92 0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 
  3     K  8.37 4.57 0.00 1.68 1.66 0.00 1.75 0.00 0.00 1.63 0.00 0.00 2.97 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.33 1.38 7.81 
  4     L  8.52 4.08 0.00 1.58 1.58 0.92 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 0.00 0.00 0.00 0.00 
  5     M  8.70 4.20 0.00 2.04 2.09 0.00 0.00 0.00 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.57 2.46 0.00 
  6     T  6.97 4.27 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 
  7     T  8.30 4.76 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 
  8     V  8.13 4.02 2.08 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 0.72 0.00 0.00 0.93 0.00 0.00