NUM RES   HA     H       N        CA      CB       C
 --- --- ------ ------ -------- ------- ------- --------
  2     M  4.5145 8.3044 120.3404 55.3498 33.9601 175.3325
  3     Y  4.4718 8.1800 120.0802 55.6546 38.6010 173.6732
  4     W  4.5315 9.1065 117.5541 56.5888 31.2940 173.7930
  5     Y  4.7696 8.8579 119.2423 57.0473 38.6947 174.8859
  6     P  5.3796 0.0000   0.0000 61.1480 30.8672 175.6052
  7     Y  4.4409 8.3242 122.9523 57.3928 39.2736 170.0961

  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     M  8.30 4.51 0.00 2.06 2.18 0.00 0.00 0.00 0.00 0.00 -0.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.51 2.49 0.00 
  3     Y  8.18 4.47 0.00 2.99 2.83 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 
  4     W  9.11 4.53 0.00 3.28 2.80 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     Y  8.86 4.77 0.00 3.12 3.09 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     P  0.00 5.38 0.00 2.08 2.03 0.00 3.73 0.00 0.00 3.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.26 0.00 
  7     Y  8.32 4.44 0.00 3.11 3.01 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