NUM RES   HA     H       N        CA      CB       C
 --- --- ------ ------ -------- ------- ------- --------
  1     E  4.2811 8.4444 118.7940 55.7422 30.9751 175.7478
  2     C  4.1835 8.3779 119.0493 55.1712 42.0225 171.0867
  3     D  4.4914 8.6561 124.8720 53.8860 42.3871 176.7139
  4     K  3.5965 8.1734 122.6097 58.4604 32.1122 177.1204
  5     W  5.0303 7.3575 118.1046 56.7121 29.4872 175.6500
  6     C  4.5974 7.5562 115.9435 56.9751 41.1780 174.5643
  7     S  4.2756 8.5414 115.5260 59.3626 62.0954 170.5793

  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 4.28 0.00 2.07 2.03 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 2.13 2.21 0.00 
  2     C  8.38 4.18 0.00 3.02 3.00 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  8.66 4.49 0.00 2.80 2.56 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  8.17 3.60 0.00 1.18 0.74 0.00 1.32 0.00 0.00 0.61 0.00 0.00 2.81 0.00 0.00 2.41 0.00 0.00 0.00 0.00 0.30 0.85 7.81 
  5     W  7.36 5.03 0.00 3.44 3.26 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     C  7.56 4.60 0.00 2.97 3.06 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  8.54 4.28 0.00 4.06 3.94 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