NUM RES   HA     H       N        CA      CB       C
 --- --- ------ ------ -------- ------- ------- --------
  2     M  4.3194 8.2893 120.2977 55.7734 33.1607 174.8933
  3     Y  4.3719 7.0845 116.8827 53.1962 41.1086 174.5950
  4     W  5.5980 8.3042 116.2582 56.7915 32.3232 175.4491
  5     Y  5.0192 8.7628 114.3951 55.2887 39.6522 171.4767
  6     P  4.2521 0.0000   0.0000 63.5686 31.5302 176.2215
  7     Y  4.1282 8.4437 123.4228 58.5059 38.4250 175.7419

  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  8.29 4.32 0.00 1.83 1.99 0.00 0.00 0.00 0.00 0.00 -0.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.26 2.54 0.00 
  3     Y  7.08 4.37 0.00 2.83 2.72 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  8.30 5.60 0.00 3.22 3.20 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  8.76 5.02 0.00 3.06 2.85 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 4.25 0.00 2.38 2.46 0.00 3.85 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 2.20 2.28 0.00 
  7     Y  8.44 4.13 0.00 2.79 2.79 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