NUM RES   HA     H       N        CA      CB       C
 --- --- ------ ------ -------- ------- ------- --------
  1     S  4.4461 8.3193 115.4115 57.8211 64.3325 173.5757
  2     S  4.0491 8.4761 118.9631 57.1875 63.5842 172.2624
  3     I  3.7977 7.7219 121.7882 60.0896 39.4790 176.1932
  4     E  4.0699 8.2411 125.8130 55.5275 29.7318 176.6065
  5     F  4.2979 8.7352 125.2204 57.2657 39.8137 174.9921
  6     A  4.5695 8.3290 126.5797 50.8658 20.0159 177.6663
  7     R  4.1327 8.2704 119.1224 56.2258 30.9066 177.2243
  8     L  4.2333 8.3619 119.7477 55.1326 41.7749 176.8615

  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 4.45 0.00 3.98 3.94 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  8.48 4.05 0.00 4.12 3.98 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  7.72 3.80 1.66 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 0.67 0.24 0.00 0.00 
  4     E  8.24 4.07 0.00 1.92 1.79 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 2.30 2.35 0.00 
  5     F  8.74 4.30 0.00 3.05 2.98 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  8.33 4.57 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 
  7     R  8.27 4.13 0.00 1.83 1.89 0.00 3.38 0.00 0.00 3.24 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 1.58 0.91 0.85 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