NUM RES   HA     H       N        CA      CB       C
 --- --- ------ ------ -------- ------- ------- --------
  1     A  4.2192 8.2644 123.5821 51.8113 19.5791 176.4173
  2     M  3.8848 8.6271 123.1336 55.0609 32.6374 172.8298
  3     D  4.7668 8.4150 120.4566 52.9122 43.3091 175.6509
  4     S  4.3025 8.4895 119.5037 59.6492 62.9419 173.6224
  5     N  4.5470 7.8962 117.2295 52.9423 38.4855 175.1448
  6     T  3.8297 8.4832 120.8809 63.7170 68.9162 173.7064
  7     L  4.5132 8.3065 127.2459 53.5776 43.8027 174.7163
  8     E  4.6972 8.5141 125.4612 54.4036 31.7032 176.4604
  9     L  4.1956 8.3909 121.1621 55.1392 41.7998 176.8762

  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 4.22 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 3.88 0.00 2.07 2.03 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  8.41 4.77 0.00 2.65 2.53 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  8.49 4.30 0.00 3.87 3.86 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  7.90 4.55 0.00 2.95 2.75 0.00 0.00 6.98 7.42 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  8.48 3.83 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 1.21 0.00 0.00 
  7     L  8.31 4.51 0.00 1.51 1.52 0.92 0.94 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 
  8     E  8.51 4.70 0.00 1.97 1.83 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 2.22 2.29 0.00 
  9     L  8.39 4.20 0.00 1.63 1.57 0.92 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00