NUM RES   HA     H       N        CA      CB       C
 --- --- ------ ------ -------- ------- ------- --------
  1     E  4.2910 8.4444 120.2294 56.1810 30.8953 175.1461
  2     Q  4.1574 8.3825 122.9252 54.7355 30.0733 173.3541
  3     Y  4.3134 8.9800 123.5175 56.5717 40.6030 174.8775
  4     K  4.0487 7.1082 124.7815 55.1129 31.9338 176.7027
  5     F  4.3206 8.4491 123.1064 57.0594 40.9065 175.5664
  6     Y  5.2163 8.0131 119.8280 58.2162 37.4282 177.5510
  7     S  4.8376 8.6319 122.7831 57.6609 66.1907 174.1998
  8     V  3.9356 8.3370 112.9558 61.7293 31.4689 176.3717

  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     E  8.44 4.29 0.00 1.99 1.97 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 2.22 2.31 0.00 
  2     Q  8.38 4.16 0.00 2.15 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.42 6.93 0.00 0.00 0.00 0.00 0.00 2.49 2.62 0.00 
  3     Y  8.98 4.31 0.00 2.59 2.18 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     K  7.11 4.05 0.00 1.25 1.53 0.00 1.76 0.00 0.00 1.61 0.00 0.00 3.01 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.34 1.29 7.81 
  5     F  8.45 4.32 0.00 3.05 3.05 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     Y  8.01 5.22 0.00 2.92 2.21 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     S  8.63 4.84 0.00 3.95 3.84 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 
  8     V  8.34 3.94 2.12 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 0.74 0.00 0.00 0.95 0.00 0.00