NUM RES   HA     H       N        CA      CB       C
 --- --- ------ ------ -------- ------- ------- --------
  1     A  4.3159 8.2649 123.5821 51.5866 19.8008 176.7184
  2     S  4.0660 8.7050 119.6120 58.5664 63.4521 172.3048
  3     K  4.6532 8.2132 122.4847 54.8552 35.3663 175.5589
  4     T  4.6003 8.0706 111.3302 60.3778 70.6754 174.9137
  5     K  4.0899 8.2601 121.4658 57.5876 32.1315 175.4127

  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     A  8.26 4.32 1.27 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 
  2     S  8.71 4.07 0.00 3.95 3.83 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     K  8.21 4.65 0.00 1.72 1.70 0.00 1.73 0.00 0.00 1.76 0.00 0.00 3.04 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.34 1.39 7.81 
  4     T  8.07 4.60 4.24 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 1.21 0.00 0.00 
  5     K  8.26 4.09 0.00 1.84 1.75 0.00 1.60 0.00 0.00 1.74 0.00 0.00 3.06 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.31 1.42 7.81