NUM RES   HA     H       N        CA      CB       C
 --- --- ------ ------ -------- ------- ------- --------
  1     D  4.3857 8.3649 120.1382 54.0248 42.8351 175.4151
  2     Y  4.2432 8.3169 123.7296 61.2143 38.0499 175.1928
  3     M  4.5764 8.3123 124.5299 55.7028 31.8200 176.2196
  4     G  4.6201 8.4386 122.1868 46.7863  0.0000 172.1505
  5     W  4.4242 7.6095 119.2866 58.9985 29.0800 177.3766
  6     M  4.4038 7.6197 118.7201 52.4261 30.4984 174.3920
  7     D  4.4370 8.4656 126.9856 56.5959 40.1493 177.2232
  8     F  4.4132 8.3116 118.2259 57.0180 37.5989 174.7397

  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     D  8.36 4.39 0.00 2.52 2.52 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     Y  8.32 4.24 0.00 3.21 3.05 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     M  8.31 4.58 0.00 2.04 2.11 0.00 0.00 0.00 0.00 0.00 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.64 2.55 0.00 
  4     G  8.44 4.62 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 0.00 
  5     W  7.61 4.42 0.00 3.34 3.24 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 
  6     M  7.62 4.40 0.00 1.75 0.92 0.00 0.00 0.00 0.00 0.00 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.19 2.37 0.00 
  7     D  8.47 4.44 0.00 2.81 2.94 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 
  8     F  8.31 4.41 0.00 3.15 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