NUM RES   HA     H       N        CA      CB       C
 --- --- ------ ------ -------- ------- ------- --------
  1     M  4.4376 8.3049 120.3532 54.9656 33.3428 175.3549
  2     L  4.1092 8.3773 126.0292 53.3374 42.4479 175.1338
  3     W  4.6079 8.8785 131.0915 57.6372 32.1957 175.8629
  4     G  3.7623 8.6886 111.9871 45.4405  0.0000 173.5333
  5     Y  4.2617 5.8700 114.7756 56.0829 38.3757 174.5943
  6     L  3.8115 6.7779 120.0465 54.2153 43.3323 176.8946
  7     Q  4.3029 7.6520 117.4718 54.4954 32.7642 174.5492
  8     Y  4.5090 8.0842 118.0647 57.2257 39.1039 176.2990
  9     V  3.8726 8.4144 115.1130 61.8754 31.6411 176.2424

  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     M  8.30 4.44 0.00 2.02 2.07 0.00 0.00 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.52 2.63 0.00 
  2     L  8.38 4.11 0.00 1.79 1.65 0.92 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 
  3     W  8.88 4.61 0.00 3.20 3.13 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     G  8.69 3.76 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     Y  5.87 4.26 0.00 2.32 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 
  6     L  6.78 3.81 0.00 1.27 1.29 0.64 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 
  7     Q  7.65 4.30 0.00 1.95 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.29 6.94 0.00 0.00 0.00 0.00 0.00 2.16 2.33 0.00 
  8     Y  8.08 4.51 0.00 2.98 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 
  9     V  8.41 3.87 2.13 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 0.71 0.00 0.00 0.98 0.00 0.00