NUM RES   HA     H       N        CA      CB       C
 --- --- ------ ------ -------- ------- ------- --------
  2     M  4.3059 8.3044 120.3412 55.6479 32.1913 174.6128
  3     Y  4.9078 8.3425 127.3744 53.7482 39.3917 172.5588
  4     W  5.1945 9.5997 121.3028 56.4280 33.9784 174.6524
  5     Y  4.6742 7.5140 115.8572 55.6877 41.3501 170.8368
  6     P  4.5367 0.0000   0.0000 61.1869 31.9732 175.0374
  7     Y  4.3706 8.8395 123.9785 58.2216 37.2265 172.9131

  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 4.31 0.00 2.09 2.08 0.00 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.18 2.45 0.00 
  3     Y  8.34 4.91 0.00 2.97 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 
  4     W  9.60 5.19 0.00 3.49 3.04 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  7.51 4.67 0.00 2.01 2.45 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 4.54 0.00 2.19 1.98 0.00 4.00 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 2.03 0.00 
  7     Y  8.84 4.37 0.00 3.16 2.75 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