NUM RES   HA     H       N        CA      CB       C
 --- --- ------ ------ -------- ------- ------- --------
  1     M  4.4884 8.2893 120.3207 55.2030 33.3691 174.7518
  2     F  4.6235 9.0070 117.6934 54.4429 40.1545 172.7847
  3     S  4.4676 9.6898 122.1700 56.8551 64.5367 176.0797
  4     I  3.5551 8.1947 124.2307 64.6915 36.7635 178.3535
  5     D  4.3950 8.1187 118.9377 57.3861 40.5776 178.6759
  6     N  4.3790 8.0252 116.8403 56.3642 38.3947 177.5092
  7     I  3.8128 7.4556 119.8745 63.2688 37.1016 176.7763
  8     L  4.4613 7.3041 118.0150 55.9220 43.2985 175.7918
  9     A  4.3098 8.0369 124.9888 52.1980 19.1833 175.6051

  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  8.29 4.49 0.00 2.09 2.11 0.00 0.00 0.00 0.00 0.00 -0.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.51 2.58 0.00 
  2     F  9.01 4.62 0.00 3.09 2.84 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 
  3     S  9.69 4.47 0.00 3.89 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 
  4     I  8.19 3.56 1.80 0.00 0.00 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.18 0.85 0.00 0.00 
  5     D  8.12 4.40 0.00 2.67 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 
  6     N  8.03 4.38 0.00 2.93 2.91 0.00 0.00 6.89 8.55 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 
  7     I  7.46 3.81 1.93 0.00 0.00 0.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.54 0.89 0.00 0.00 
  8     L  7.30 4.46 0.00 1.97 1.63 0.90 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 
  9     A  8.04 4.31 1.20 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 0.00 0.00