NUM RES   HA     H       N        CA      CB       C
 --- --- ------ ------ -------- ------- ------- --------
  1     M  4.4341 8.3049 120.3540 54.8502 33.3062 175.3090
  2     L  4.0339 8.5426 126.1092 53.9013 42.3363 174.6615
  3     W  4.8720 8.8754 131.0244 56.7615 32.2742 175.8302
  4     G  3.9502 8.9380 113.8746 45.3356  0.0000 172.3033
  5     Y  4.2999 5.6541 119.1484 55.2725 41.7028 174.3436
  6     L  4.1691 6.8609 123.9026 53.3935 45.7610 174.4594
  7     Q  4.1786 7.9511 122.0087 53.7906 31.6186 174.9740
  8     Y  4.4953 7.9647 121.9476 58.1739 38.6762 176.8192
  9     V  3.9114 8.3218 119.8383 62.1056 31.8378 176.0773

  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 4.43 0.00 2.03 2.08 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 2.53 2.63 0.00 
  2     L  8.54 4.03 0.00 1.81 1.68 0.94 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 
  3     W  8.88 4.87 0.00 3.16 2.96 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  8.94 3.95 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  5.65 4.30 0.00 2.32 1.43 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  6.86 4.17 0.00 1.23 1.25 0.65 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.00 0.00 0.00 0.00 0.00 0.00 
  7     Q  7.95 4.18 0.00 1.64 1.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 7.01 0.00 0.00 0.00 0.00 0.00 2.24 2.37 0.00 
  8     Y  7.96 4.50 0.00 2.99 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 
  9     V  8.32 3.91 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 0.70 0.00 0.00 0.96 0.00 0.00