NUM RES   HA     H       N        CA      CB       C
 --- --- ------ ------ -------- ------- ------- --------
  1     G  3.9248 8.3393 109.7368 45.3936  0.0000 173.7593
  2     S  4.2622 8.4279 118.8574 56.5376 64.2668 170.1491
  3     E  4.2299 8.5239 122.3643 55.4220 31.2399 176.5834
  4     N  4.5871 8.5074 123.8778 52.9285 39.3913 174.3891
  5     L  4.0926 8.2457 127.2764 56.6553 41.6291 177.4834
  6     K  4.2456 8.1444 124.0937 56.2803 30.5311 176.9890
  7     S  4.2618 7.6950 110.8606 58.0910 62.9403 172.8161
  8     L  4.7887 8.0272 124.3960 53.2500 44.2261 176.4143
  9     Y  4.1127 8.5660 115.9905 58.5610 37.9946 175.8935

  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     G  8.34 3.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 
  2     S  8.43 4.26 0.00 4.08 3.88 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     E  8.52 4.23 0.00 1.95 1.88 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 2.27 2.28 0.00 
  4     N  8.51 4.59 0.00 2.70 2.70 0.00 0.00 7.06 7.78 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     L  8.25 4.09 0.00 1.79 1.73 1.01 0.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 0.00 0.00 0.00 0.00 0.00 0.00 
  6     K  8.14 4.25 0.00 1.94 2.03 0.00 1.74 0.00 0.00 1.63 0.00 0.00 2.94 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.32 1.41 7.81 
  7     S  7.69 4.26 0.00 3.79 3.70 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 
  8     L  8.03 4.79 0.00 1.67 1.68 0.97 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 
  9     Y  8.57 4.11 0.00 2.92 2.89 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