NUM RES   HA     H       N        CA      CB       C
 --- --- ------ ------ -------- ------- ------- --------
  1     E  4.2278 8.4401 118.7943 55.6034 30.9747 174.6254
  2     A  4.3913 8.2703 121.4884 50.6593 18.5987 175.8780
  3     D  4.4294 8.7267 122.7834 53.8465 43.0103 174.4333
  4     K  3.5625 8.4854 124.1674 59.2654 32.3745 177.9884
  5     W  4.8771 7.3839 117.5080 55.7121 28.7846 174.8909
  6     Q  4.4714 7.4344 122.6887 56.2362 31.0318 175.3545
  7     S  4.3198 8.7286 112.3132 59.3281 62.4809 169.5338

  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 4.23 0.00 2.07 2.05 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 2.14 2.23 0.00 
  2     A  8.27 4.39 1.33 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 0.00 0.00 
  3     D  8.73 4.43 0.00 2.62 2.60 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  8.49 3.56 0.00 1.25 0.74 0.00 1.41 0.00 0.00 0.61 0.00 0.00 2.71 0.00 0.00 2.19 0.00 0.00 0.00 0.00 0.65 1.06 7.81 
  5     W  7.38 4.88 0.00 3.33 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     Q  7.43 4.47 0.00 2.31 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5.85 5.86 0.00 0.00 0.00 0.00 0.00 2.38 2.39 0.00 
  7     S  8.73 4.32 0.00 4.13 3.95 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