NUM RES   HA     H       N        CA      CB       C
 --- --- ------ ------ -------- ------- ------- --------
  3     R  4.3637 8.2544 119.7077 55.9893 31.5356 174.4250
  4     K  4.3227 8.3213 122.4174 54.2666 35.3450 171.7386
  5     E  4.3941 9.2098 126.1644 55.0999 31.8018 174.6640
  6     Y  4.5754 8.1168 119.8598 56.2088 40.8108 174.5379
  7     Y  4.5687 8.7980 121.2575 56.2019 40.0088 175.6881
  8     A  4.4017 8.6954 126.6188 52.2638 19.3816 176.0910

  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   
  3     R  8.25 4.36 0.00 1.81 1.94 0.00 3.14 0.00 0.00 3.22 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.63 0.00 
  4     K  8.32 4.32 0.00 1.67 1.55 0.00 1.61 0.00 0.00 1.41 0.00 0.00 2.36 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.80 1.32 7.81 
  5     E  9.21 4.39 0.00 1.83 1.34 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 2.15 2.24 0.00 
  6     Y  8.12 4.58 0.00 2.84 2.81 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 
  7     Y  8.80 4.57 0.00 2.96 2.92 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     A  8.70 4.40 1.24 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