NUM RES   HA     H       N        CA      CB       C
 --- --- ------ ------ -------- ------- ------- --------
  1     S  4.3645 8.3349 115.2874 57.6008 63.4563 173.5689
  2     L  4.0153 8.3524 127.4810 53.9383 42.0891 175.3560
  3     L  4.0711 8.2356 119.9496 54.7039 43.0129 178.1703
  4     M  4.0238 8.4238 121.3429 57.5682 32.5614 176.3428
  5     W  4.3425 6.2855 112.7007 55.8453 31.0222 173.5156
  6     I  4.3530 8.4211 114.0377 59.0814 38.9577 175.6237
  7     T  4.2685 8.4593 121.7058 63.1635 69.0870 174.4531
  8     Q  4.1132 8.5422 124.0548 55.9291 29.5232 176.3685
  9     A  4.2137 8.4691 122.9521 52.5452 18.6594 177.4312

  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     S  8.33 4.36 0.00 3.84 3.83 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 
  2     L  8.35 4.02 0.00 1.75 1.58 0.92 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 
  3     L  8.24 4.07 0.00 1.56 1.29 0.78 0.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.00 0.00 0.00 0.00 0.00 0.00 
  4     M  8.42 4.02 0.00 2.28 2.21 0.00 0.00 0.00 0.00 0.00 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.77 2.97 0.00 
  5     W  6.29 4.34 0.00 3.27 3.20 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 
  6     I  8.42 4.35 1.89 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.59 0.85 0.00 0.00 
  7     T  8.46 4.27 4.34 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 1.29 0.00 0.00 
  8     Q  8.54 4.11 0.00 2.07 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 7.07 0.00 0.00 0.00 0.00 0.00 2.39 2.40 0.00 
  9     A  8.47 4.21 1.24 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 0.00 0.00 0.00