NUM RES   HA     H       N        CA      CB       C
 --- --- ------ ------ -------- ------- ------- --------
  1     S  4.3810 8.3349 115.2898 57.5746 63.4859 173.6092
  2     L  3.9825 8.3911 127.5054 53.6020 42.1519 175.1388
  3     L  4.1642 8.3370 122.6724 55.4167 43.7611 176.2921
  4     M  3.9897 8.7575 125.1174 57.2335 32.6804 176.1465
  5     W  4.7821 8.1098 117.9027 54.6797 30.7200 175.2909
  6     I  4.6139 8.3532 116.5144 59.2201 39.3963 174.9170
  7     T  4.4696 8.4062 121.4400 62.0603 69.6830 174.8059
  8     Q  4.1797 8.4679 124.8543 55.9064 29.5338 176.1833
  9     C  4.3169 8.5378 114.9812 58.5774 29.9094 173.4341

  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 4.38 0.00 3.84 3.85 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  8.39 3.98 0.00 1.71 1.58 0.91 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 
  3     L  8.34 4.16 0.00 1.61 1.58 1.00 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 
  4     M  8.76 3.99 0.00 1.94 1.96 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 1.51 0.00 
  5     W  8.11 4.78 0.00 3.27 3.13 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  8.35 4.61 1.91 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.95 0.94 0.00 0.00 
  7     T  8.41 4.47 4.27 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 1.23 0.00 0.00 
  8     Q  8.47 4.18 0.00 2.06 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 7.09 0.00 0.00 0.00 0.00 0.00 2.38 2.38 0.00 
  9     C  8.54 4.32 0.00 3.09 2.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00