NUM RES   HA     H       N        CA      CB       C
 --- --- ------ ------ -------- ------- ------- --------
  2     N  4.3358 8.4244 118.1936 52.1128 39.0779 173.6254
  3     R  4.3292 7.6096 118.6777 55.0831 31.1218 173.9716
  4     W  4.5592 9.8756 125.0782 55.7947 31.0781 176.0588
  5     S  4.6582 8.5483 119.3190 57.6027 63.6553 173.5092
  6     K  4.6684 8.2650 121.8935 54.5844 34.2709 176.5535
  7     L  4.2123 8.4654 121.4351 55.1396 41.6546 176.8502

  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   
  2     N  8.42 4.34 0.00 2.61 2.85 0.00 0.00 5.98 6.77 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  7.61 4.33 0.00 1.92 1.89 0.00 3.29 0.00 0.00 3.29 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.94 0.00 
  4     W  9.88 4.56 0.00 3.33 2.98 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 
  5     S  8.55 4.66 0.00 3.88 3.81 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     K  8.27 4.67 0.00 1.74 1.72 0.00 1.78 0.00 0.00 1.76 0.00 0.00 3.23 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.39 1.39 7.81 
  7     L  8.47 4.21 0.00 1.65 1.59 0.94 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00