NUM RES   HA     H       N        CA      CB       C
 --- --- ------ ------ -------- ------- ------- --------
  1     A  4.2406 8.2644 123.5821 51.7964 19.6525 176.4670
  2     M  3.9043 8.6259 123.1470 54.7536 32.6938 173.5112
  3     D  4.5857 8.4803 121.4148 54.0417 43.5519 175.2299
  4     S  4.8438 8.2325 115.0913 56.3320 62.1419 173.3270
  5     N  4.9289 7.4422 116.0977 52.3967 42.1775 174.6278
  6     T  3.8220 7.7985 118.0990 61.5784 69.5381 173.8681
  7     L  3.5032 7.7235 123.3745 55.5195 38.4799 174.2928
  8     E  4.0716 7.7977 119.3795 55.5234 30.8993 176.3911
  9     L  4.1644 8.5733 124.3455 55.3585 41.6322 177.0120

  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     A  8.26 4.24 1.27 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 
  2     M  8.63 3.90 0.00 2.07 2.01 0.00 0.00 0.00 0.00 0.00 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.59 2.59 0.00 
  3     D  8.48 4.59 0.00 2.68 2.55 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 0.00 0.00 0.00 0.00 
  4     S  8.23 4.84 0.00 3.83 3.73 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     N  7.44 4.93 0.00 2.80 2.65 0.00 0.00 7.25 7.54 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     T  7.80 3.82 4.24 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 1.24 0.00 0.00 
  7     L  7.72 3.50 0.00 1.78 1.75 0.94 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 0.00 0.00 0.00 0.00 0.00 0.00 
  8     E  7.80 4.07 0.00 1.90 1.85 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 2.29 2.39 0.00 
  9     L  8.57 4.16 0.00 1.67 1.58 0.92 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00