NUM RES   HA     H       N        CA      CB       C
 --- --- ------ ------ -------- ------- ------- --------
  1     S  4.3741 8.3349 115.2875 57.6741 63.5174 173.5456
  2     L  4.0529 8.2410 126.7922 53.7052 41.1096 175.4752
  3     L  4.0573 8.2307 120.0047 54.9698 42.9749 178.0719
  4     M  4.2979 8.3034 120.4676 57.3807 32.6266 176.1031
  5     W  4.4154 6.2456 110.5246 55.9447 31.0637 173.5433
  6     I  4.3695 8.3754 113.0524 58.9830 39.2192 175.6849
  7     T  4.2638 8.4950 121.4161 63.2998 69.0601 174.3189
  8     Q  4.2055 8.4821 124.0406 55.9473 29.5318 176.2799
  9     C  4.3220 8.5512 115.0100 58.5759 29.9276 173.4328

  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 4.37 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  8.24 4.05 0.00 1.75 1.57 0.92 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 
  3     L  8.23 4.06 0.00 1.56 1.43 0.77 0.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.00 0.00 0.00 0.00 0.00 0.00 
  4     M  8.30 4.30 0.00 2.31 2.20 0.00 0.00 0.00 0.00 0.00 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.74 2.88 0.00 
  5     W  6.25 4.42 0.00 3.35 3.16 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  8.38 4.37 1.87 0.00 0.00 0.87 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 0.79 0.83 0.00 0.00 
  7     T  8.49 4.26 4.34 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 1.30 0.00 0.00 
  8     Q  8.48 4.21 0.00 2.07 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 7.10 0.00 0.00 0.00 0.00 0.00 2.39 2.39 0.00 
  9     C  8.55 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