NUM RES   HA     H       N        CA      CB       C
 --- --- ------ ------ -------- ------- ------- --------
  1     L  4.1494 8.1849 122.4906 55.6677 43.2705 174.8688
  2     L  3.7721 9.1072 125.2124 53.0520 40.8824 172.1196
  3     C  4.6899 8.0908 114.1040 57.2256 32.6625 174.6790
  4     S  4.0359 8.5705 115.4510 60.7235 62.3080 175.7778
  5     T  3.5648 7.5488 115.2756 62.5264 67.2694 170.4733
  6     P  4.2231 0.0000   0.0000 63.7186 31.9609 175.7272
  7     N  4.5647 8.8804 119.8196 53.8059 39.3789 173.8007

  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     L  8.18 4.15 0.00 1.60 1.63 0.92 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 
  2     L  9.11 3.77 0.00 1.93 1.70 0.92 0.56 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 
  3     C  8.09 4.69 0.00 3.04 2.97 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 
  4     S  8.57 4.04 0.00 3.99 4.09 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 
  5     T  7.55 3.56 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 
  6     P  0.00 4.22 0.00 2.04 1.99 0.00 3.66 0.00 0.00 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.07 0.00 
  7     N  8.88 4.56 0.00 2.73 3.14 0.00 0.00 6.95 7.56 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