NUM RES   HA     H       N        CA      CB       C
 --- --- ------ ------ -------- ------- ------- --------
  1     A  4.3165 8.2493 123.5859 52.1126 19.7655 179.7891
  2     I  4.0247 8.3465 113.0321 61.3928 38.4622 174.1302
  3     F  4.4157 8.5121 124.0356 58.3132 40.6938 176.0948
  4     Q  4.5258 7.6813 123.5456 55.8905 28.7547 175.4806
  5     S  4.5564 5.8100 112.9754 58.4973 64.0451 174.3624
  6     S  4.5600 8.3102 116.6026 58.9077 63.2586 174.2798
  7     M  4.5380 8.4349 124.8715 53.8050 33.4396 176.2029
  8     T  4.0856 8.1906 110.9354 61.8361 69.7118 174.5930
  9     K  4.1718 8.4282 120.8434 56.7401 32.2889 176.7483

  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  8.25 4.32 1.03 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 0.00 0.00 0.00 0.00 0.00 
  2     I  8.35 4.02 1.93 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.77 0.94 0.00 0.00 
  3     F  8.51 4.42 0.00 2.96 3.03 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 0.00 0.00 0.00 
  4     Q  7.68 4.53 0.00 2.01 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 7.30 0.00 0.00 0.00 0.00 0.00 1.91 2.04 0.00 
  5     S  5.81 4.56 0.00 3.24 3.74 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     S  8.31 4.56 0.00 3.98 3.91 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     M  8.43 4.54 0.00 2.03 2.01 0.00 0.00 0.00 0.00 0.00 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.62 2.74 0.00 
  8     T  8.19 4.09 4.25 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 1.22 0.00 0.00 
  9     K  8.43 4.17 0.00 1.77 1.75 0.00 1.78 0.00 0.00 1.75 0.00 0.00 3.00 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.39 1.43 7.81