NUM RES   HA     H       N        CA      CB       C
 --- --- ------ ------ -------- ------- ------- --------
  1     D  4.6014 8.3493 120.5332 54.1782 41.6048 174.1276
  2     S  4.0486 7.9621 115.2040 56.2967 64.0917 172.3780
  3     R  3.9048 7.5624 122.4029 55.9370 27.7887 176.5984
  4     I  4.2532 7.6308 111.5416 59.8987 39.1361 177.0876
  5     W  4.5775 8.6396 124.3299 54.4955 29.4510 175.5606
  6     W  4.8405 8.4896 135.0000 56.9255 28.0794 176.2616
  7     V  3.9839 7.8852 121.5914 62.6269 31.0198 175.2970

  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     D  8.35 4.60 0.00 2.71 2.72 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  7.96 4.05 0.00 4.09 3.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 
  3     R  7.56 3.90 0.00 2.09 2.27 0.00 3.30 0.00 0.00 3.38 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.69 0.00 
  4     I  7.63 4.25 1.91 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.57 0.92 0.00 0.00 
  5     W  8.64 4.58 0.00 3.24 3.31 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     W  8.49 4.84 0.00 3.25 3.07 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     V  7.89 3.98 2.23 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 0.87 0.00 0.00 1.26 0.00 0.00